data_19198 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19198 _Entry.PDB_ID 2M7O 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 19198 _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 3 3 ASP N N 3 120.996 120.996 121.856 -0.860 19198 2 1 1 . 1 1 3 3 ASP H H 3 8.416 8.416 8.305 0.111 19198 3 1 1 . 1 1 4 4 ARG N N 4 120.957 120.957 120.419 0.538 19198 4 1 1 . 1 1 4 4 ARG H H 4 8.187 8.187 7.933 0.254 19198 5 1 1 . 1 1 5 5 LYS N N 5 122.746 122.746 122.010 0.736 19198 6 1 1 . 1 1 5 5 LYS HA H 5 4.209 4.209 4.209 0.000 19198 7 1 1 . 1 1 5 5 LYS CA C 5 53.562 53.562 56.492 -2.930 19198 8 1 1 . 1 1 5 5 LYS CB C 5 30.595 30.595 31.886 -1.291 19198 9 1 1 . 1 1 5 5 LYS H H 5 8.223 8.223 8.101 0.122 19198 10 1 1 . 1 1 6 6 LEU N N 6 124.432 124.432 126.087 -1.655 19198 11 1 1 . 1 1 6 6 LEU HA H 6 4.345 4.345 4.638 -0.293 19198 12 1 1 . 1 1 6 6 LEU CA C 6 52.051 52.051 54.319 -2.268 19198 13 1 1 . 1 1 6 6 LEU CB C 6 39.833 39.833 42.239 -2.406 19198 14 1 1 . 1 1 6 6 LEU H H 6 8.258 8.258 8.532 -0.274 19198 15 1 1 . 1 1 7 7 MET N N 7 122.420 122.420 122.417 0.003 19198 16 1 1 . 1 1 7 7 MET HA H 7 4.529 4.529 4.718 -0.189 19198 17 1 1 . 1 1 7 7 MET CA C 7 52.288 52.288 54.138 -1.850 19198 18 1 1 . 1 1 7 7 MET CB C 7 30.827 30.827 33.457 -2.630 19198 19 1 1 . 1 1 7 7 MET H H 7 8.284 8.284 8.333 -0.049 19198 20 1 1 . 1 1 8 8 LYS N N 8 124.204 124.204 120.202 4.002 19198 21 1 1 . 1 1 8 8 LYS HA H 8 4.461 4.461 4.653 -0.192 19198 22 1 1 . 1 1 8 8 LYS CA C 8 53.986 53.986 56.048 -2.062 19198 23 1 1 . 1 1 8 8 LYS CB C 8 31.771 31.771 32.943 -1.172 19198 24 1 1 . 1 1 8 8 LYS H H 8 9.420 9.420 8.500 0.920 19198 25 1 1 . 1 1 9 9 THR N N 9 113.488 113.488 107.242 6.246 19198 26 1 1 . 1 1 9 9 THR HA H 9 4.366 4.366 4.811 -0.445 19198 27 1 1 . 1 1 9 9 THR CA C 9 57.964 57.964 59.915 -1.951 19198 28 1 1 . 1 1 9 9 THR CB C 9 68.912 68.912 71.680 -2.768 19198 29 1 1 . 1 1 9 9 THR H H 9 8.817 8.817 7.910 0.907 19198 30 1 1 . 1 1 10 10 GLN N N 10 121.509 121.509 120.425 1.084 19198 31 1 1 . 1 1 10 10 GLN HA H 10 3.012 3.012 3.378 -0.366 19198 32 1 1 . 1 1 10 10 GLN CA C 10 57.666 57.666 59.182 -1.516 19198 33 1 1 . 1 1 10 10 GLN CB C 10 24.850 24.850 28.150 -3.300 19198 34 1 1 . 1 1 10 10 GLN H H 10 8.586 8.586 8.687 -0.101 19198 35 1 1 . 1 1 11 11 GLU N N 11 121.406 121.406 120.087 1.319 19198 36 1 1 . 1 1 11 11 GLU HA H 11 3.801 3.801 3.986 -0.185 19198 37 1 1 . 1 1 11 11 GLU CA C 11 57.739 57.739 59.717 -1.978 19198 38 1 1 . 1 1 11 11 GLU CB C 11 26.332 26.332 28.947 -2.615 19198 39 1 1 . 1 1 11 11 GLU H H 11 8.998 8.998 8.385 0.613 19198 40 1 1 . 1 1 12 12 GLU N N 12 120.601 120.601 120.148 0.453 19198 41 1 1 . 1 1 12 12 GLU HA H 12 3.864 3.864 4.033 -0.169 19198 42 1 1 . 1 1 12 12 GLU CA C 12 56.542 56.542 59.363 -2.821 19198 43 1 1 . 1 1 12 12 GLU CB C 12 27.796 27.796 29.742 -1.946 19198 44 1 1 . 1 1 12 12 GLU H H 12 7.688 7.688 8.137 -0.449 19198 45 1 1 . 1 1 13 13 LEU N N 13 117.867 117.867 118.912 -1.045 19198 46 1 1 . 1 1 13 13 LEU HA H 13 3.755 3.755 4.258 -0.502 19198 47 1 1 . 1 1 13 13 LEU CA C 13 54.855 54.855 58.316 -3.461 19198 48 1 1 . 1 1 13 13 LEU CB C 13 40.140 40.140 40.918 -0.778 19198 49 1 1 . 1 1 13 13 LEU H H 13 8.172 8.172 8.636 -0.464 19198 50 1 1 . 1 1 14 14 THR N N 14 115.136 115.136 115.444 -0.308 19198 51 1 1 . 1 1 14 14 THR HA H 14 3.256 3.256 4.034 -0.778 19198 52 1 1 . 1 1 14 14 THR CA C 14 64.768 64.768 67.186 -2.418 19198 53 1 1 . 1 1 14 14 THR CB C 14 65.545 65.545 68.501 -2.957 19198 54 1 1 . 1 1 14 14 THR H H 14 8.166 8.166 7.445 0.721 19198 55 1 1 . 1 1 15 15 GLU N N 15 120.674 120.674 121.487 -0.813 19198 56 1 1 . 1 1 15 15 GLU HA H 15 3.857 3.857 4.065 -0.208 19198 57 1 1 . 1 1 15 15 GLU CA C 15 56.467 56.467 58.981 -2.514 19198 58 1 1 . 1 1 15 15 GLU CB C 15 26.370 26.370 29.058 -2.688 19198 59 1 1 . 1 1 15 15 GLU H H 15 7.504 7.504 8.362 -0.858 19198 60 1 1 . 1 1 16 16 ILE N N 16 119.946 119.946 120.797 -0.851 19198 61 1 1 . 1 1 16 16 ILE HA H 16 3.602 3.602 3.467 0.135 19198 62 1 1 . 1 1 16 16 ILE CA C 16 62.428 62.428 65.529 -3.101 19198 63 1 1 . 1 1 16 16 ILE CB C 16 35.913 35.913 37.777 -1.864 19198 64 1 1 . 1 1 16 16 ILE H H 16 7.162 7.162 8.538 -1.376 19198 65 1 1 . 1 1 17 17 VAL N N 17 120.087 120.087 119.248 0.839 19198 66 1 1 . 1 1 17 17 VAL HA H 17 3.001 3.001 3.939 -0.938 19198 67 1 1 . 1 1 17 17 VAL CA C 17 64.706 64.706 67.084 -2.378 19198 68 1 1 . 1 1 17 17 VAL CB C 17 28.391 28.391 31.485 -3.095 19198 69 1 1 . 1 1 17 17 VAL H H 17 7.539 7.539 7.543 -0.004 19198 70 1 1 . 1 1 18 18 ARG N N 18 121.099 121.099 120.142 0.957 19198 71 1 1 . 1 1 18 18 ARG HA H 18 3.438 3.438 4.065 -0.627 19198 72 1 1 . 1 1 18 18 ARG CA C 18 57.834 57.834 60.010 -2.176 19198 73 1 1 . 1 1 18 18 ARG CB C 18 27.388 27.388 30.109 -2.721 19198 74 1 1 . 1 1 18 18 ARG H H 18 8.708 8.708 8.661 0.047 19198 75 1 1 . 1 1 19 19 ASP N N 19 118.955 118.955 118.926 0.029 19198 76 1 1 . 1 1 19 19 ASP HA H 19 4.215 4.215 4.381 -0.166 19198 77 1 1 . 1 1 19 19 ASP CA C 19 54.604 54.604 57.213 -2.609 19198 78 1 1 . 1 1 19 19 ASP CB C 19 37.705 37.705 40.676 -2.971 19198 79 1 1 . 1 1 19 19 ASP H H 19 8.286 8.286 8.332 -0.046 19198 80 1 1 . 1 1 20 20 HIS N N 20 116.419 116.419 117.607 -1.188 19198 81 1 1 . 1 1 20 20 HIS HA H 20 4.147 4.147 4.319 -0.172 19198 82 1 1 . 1 1 20 20 HIS CA C 20 56.243 56.243 58.728 -2.485 19198 83 1 1 . 1 1 20 20 HIS CB C 20 26.196 26.196 30.046 -3.850 19198 84 1 1 . 1 1 20 20 HIS H H 20 7.532 7.532 7.826 -0.294 19198 85 1 1 . 1 1 21 21 PHE N N 21 116.347 116.347 120.420 -4.073 19198 86 1 1 . 1 1 21 21 PHE HA H 21 4.463 4.463 4.468 -0.005 19198 87 1 1 . 1 1 21 21 PHE CA C 21 58.279 58.279 59.604 -1.325 19198 88 1 1 . 1 1 21 21 PHE CB C 21 36.780 36.780 38.694 -1.914 19198 89 1 1 . 1 1 21 21 PHE H H 21 7.983 7.983 8.409 -0.426 19198 90 1 1 . 1 1 22 22 SER N N 22 116.555 116.555 114.419 2.136 19198 91 1 1 . 1 1 22 22 SER HA H 22 4.541 4.541 4.282 0.259 19198 92 1 1 . 1 1 22 22 SER CA C 22 59.013 59.013 61.080 -2.067 19198 93 1 1 . 1 1 22 22 SER CB C 22 60.225 60.225 63.169 -2.944 19198 94 1 1 . 1 1 22 22 SER H H 22 8.578 8.578 8.294 0.284 19198 95 1 1 . 1 1 23 23 ASP N N 23 118.564 118.564 119.252 -0.688 19198 96 1 1 . 1 1 23 23 ASP HA H 23 4.581 4.581 4.722 -0.141 19198 97 1 1 . 1 1 23 23 ASP CA C 23 52.796 52.796 54.510 -1.714 19198 98 1 1 . 1 1 23 23 ASP CB C 23 38.460 38.460 41.600 -3.140 19198 99 1 1 . 1 1 23 23 ASP H H 23 7.246 7.246 7.915 -0.669 19198 100 1 1 . 1 1 24 24 MET N N 24 116.378 116.378 116.983 -0.605 19198 101 1 1 . 1 1 24 24 MET HA H 24 4.207 4.207 4.792 -0.585 19198 102 1 1 . 1 1 24 24 MET CA C 24 53.696 53.696 55.295 -1.599 19198 103 1 1 . 1 1 24 24 MET CB C 24 32.101 32.101 34.981 -2.880 19198 104 1 1 . 1 1 24 24 MET H H 24 7.958 7.958 8.014 -0.056 19198 105 1 1 . 1 1 25 25 GLY N N 25 107.470 107.470 107.157 0.313 19198 106 1 1 . 1 1 25 25 GLY CA C 25 42.230 42.230 45.476 -3.246 19198 107 1 1 . 1 1 25 25 GLY H H 25 7.475 7.475 7.651 -0.176 19198 108 1 1 . 1 1 26 26 GLU N N 26 117.869 117.869 118.667 -0.798 19198 109 1 1 . 1 1 26 26 GLU HA H 26 4.452 4.452 4.407 0.045 19198 110 1 1 . 1 1 26 26 GLU CA C 26 52.851 52.851 54.736 -1.885 19198 111 1 1 . 1 1 26 26 GLU CB C 26 27.412 27.412 32.384 -4.972 19198 112 1 1 . 1 1 26 26 GLU H H 26 8.397 8.397 7.397 1.000 19198 113 1 1 . 1 1 27 27 ILE N N 27 129.460 129.460 123.599 5.861 19198 114 1 1 . 1 1 27 27 ILE HA H 27 3.206 3.206 4.038 -0.832 19198 115 1 1 . 1 1 27 27 ILE CA C 27 61.133 61.133 61.162 -0.029 19198 116 1 1 . 1 1 27 27 ILE CB C 27 36.987 36.987 38.635 -1.648 19198 117 1 1 . 1 1 27 27 ILE H H 27 8.980 8.980 8.400 0.580 19198 118 1 1 . 1 1 28 28 ALA N N 28 131.875 131.875 131.297 0.578 19198 119 1 1 . 1 1 28 28 ALA HA H 28 4.492 4.492 4.285 0.207 19198 120 1 1 . 1 1 28 28 ALA CA C 28 50.949 50.949 54.223 -3.274 19198 121 1 1 . 1 1 28 28 ALA CB C 28 17.101 17.101 19.743 -2.642 19198 122 1 1 . 1 1 28 28 ALA H H 28 9.208 9.208 8.831 0.377 19198 123 1 1 . 1 1 29 29 THR N N 29 112.070 112.070 113.837 -1.767 19198 124 1 1 . 1 1 29 29 THR HA H 29 4.346 4.346 4.467 -0.121 19198 125 1 1 . 1 1 29 29 THR CA C 29 58.963 58.963 61.647 -2.684 19198 126 1 1 . 1 1 29 29 THR CB C 29 69.475 69.475 71.086 -1.611 19198 127 1 1 . 1 1 29 29 THR H H 29 7.803 7.803 7.802 0.001 19198 128 1 1 . 1 1 30 30 LEU N N 30 129.754 129.754 126.579 3.175 19198 129 1 1 . 1 1 30 30 LEU HA H 30 4.878 4.878 4.840 0.038 19198 130 1 1 . 1 1 30 30 LEU CA C 30 52.316 52.316 54.119 -1.803 19198 131 1 1 . 1 1 30 30 LEU CB C 30 42.195 42.195 43.910 -1.716 19198 132 1 1 . 1 1 30 30 LEU H H 30 8.388 8.388 8.543 -0.155 19198 133 1 1 . 1 1 31 31 TYR N N 31 124.642 124.642 124.083 0.559 19198 134 1 1 . 1 1 31 31 TYR HA H 31 5.108 5.108 4.816 0.292 19198 135 1 1 . 1 1 31 31 TYR CA C 31 52.174 52.174 55.869 -3.695 19198 136 1 1 . 1 1 31 31 TYR CB C 31 38.406 38.406 38.971 -0.565 19198 137 1 1 . 1 1 31 31 TYR H H 31 8.837 8.837 8.748 0.089 19198 138 1 1 . 1 1 32 32 VAL N N 32 121.165 121.165 120.480 0.685 19198 139 1 1 . 1 1 32 32 VAL HA H 32 4.083 4.083 4.243 -0.160 19198 140 1 1 . 1 1 32 32 VAL CA C 32 59.645 59.645 61.618 -1.973 19198 141 1 1 . 1 1 32 32 VAL CB C 32 32.016 32.016 34.805 -2.789 19198 142 1 1 . 1 1 32 32 VAL H H 32 8.684 8.684 8.368 0.316 19198 143 1 1 . 1 1 33 33 GLN N N 33 126.911 126.911 125.730 1.181 19198 144 1 1 . 1 1 33 33 GLN HA H 33 4.462 4.462 4.346 0.116 19198 145 1 1 . 1 1 33 33 GLN CA C 33 54.266 54.266 56.057 -1.792 19198 146 1 1 . 1 1 33 33 GLN CB C 33 28.717 28.717 30.416 -1.699 19198 147 1 1 . 1 1 33 33 GLN H H 33 9.633 9.633 8.396 1.237 19198 148 1 1 . 1 1 34 34 VAL N N 34 117.041 117.041 118.580 -1.539 19198 149 1 1 . 1 1 34 34 VAL HA H 34 4.313 4.313 4.308 0.005 19198 150 1 1 . 1 1 34 34 VAL CA C 34 59.270 59.270 62.252 -2.982 19198 151 1 1 . 1 1 34 34 VAL CB C 34 33.725 33.725 33.744 -0.019 19198 152 1 1 . 1 1 34 34 VAL H H 34 7.840 7.840 7.272 0.568 19198 153 1 1 . 1 1 35 35 TYR N N 35 128.263 128.263 129.500 -1.237 19198 154 1 1 . 1 1 35 35 TYR HA H 35 5.415 5.415 4.862 0.553 19198 155 1 1 . 1 1 35 35 TYR CA C 35 52.594 52.594 55.565 -2.971 19198 156 1 1 . 1 1 35 35 TYR CB C 35 38.583 38.583 40.704 -2.121 19198 157 1 1 . 1 1 35 35 TYR H H 35 8.580 8.580 8.359 0.221 19198 158 1 1 . 1 1 36 36 GLU N N 36 129.574 129.574 127.445 2.129 19198 159 1 1 . 1 1 36 36 GLU HA H 36 4.403 4.403 4.387 0.016 19198 160 1 1 . 1 1 36 36 GLU CA C 36 51.421 51.421 55.192 -3.771 19198 161 1 1 . 1 1 36 36 GLU CB C 36 28.035 28.035 28.379 -0.344 19198 162 1 1 . 1 1 36 36 GLU H H 36 8.118 8.118 8.843 -0.725 19198 163 1 1 . 1 1 37 37 SER N N 37 121.805 121.805 116.789 5.016 19198 164 1 1 . 1 1 37 37 SER HA H 37 3.754 3.754 4.090 -0.336 19198 165 1 1 . 1 1 37 37 SER CA C 37 57.817 57.817 59.123 -1.306 19198 166 1 1 . 1 1 37 37 SER CB C 37 60.041 60.041 62.916 -2.875 19198 167 1 1 . 1 1 37 37 SER H H 37 8.312 8.312 8.019 0.293 19198 168 1 1 . 1 1 38 38 SER N N 38 116.337 116.337 114.437 1.900 19198 169 1 1 . 1 1 38 38 SER HA H 38 4.214 4.214 4.627 -0.413 19198 170 1 1 . 1 1 38 38 SER CA C 38 58.237 58.237 58.413 -0.176 19198 171 1 1 . 1 1 38 38 SER CB C 38 60.243 60.243 64.029 -3.786 19198 172 1 1 . 1 1 38 38 SER H H 38 8.389 8.389 7.931 0.458 19198 173 1 1 . 1 1 39 39 LEU N N 39 119.070 119.070 120.524 -1.454 19198 174 1 1 . 1 1 39 39 LEU HA H 39 4.414 4.414 4.586 -0.172 19198 175 1 1 . 1 1 39 39 LEU CA C 39 51.365 51.365 53.521 -2.156 19198 176 1 1 . 1 1 39 39 LEU CB C 39 40.504 40.504 45.630 -5.126 19198 177 1 1 . 1 1 39 39 LEU H H 39 6.905 6.905 7.245 -0.340 19198 178 1 1 . 1 1 40 40 GLU N N 40 118.837 118.837 120.275 -1.438 19198 179 1 1 . 1 1 40 40 GLU HA H 40 3.781 3.781 4.686 -0.905 19198 180 1 1 . 1 1 40 40 GLU CA C 40 54.621 54.621 55.668 -1.047 19198 181 1 1 . 1 1 40 40 GLU CB C 40 26.307 26.307 29.414 -3.107 19198 182 1 1 . 1 1 40 40 GLU H H 40 7.814 7.814 8.598 -0.784 19198 183 1 1 . 1 1 41 41 SER N N 41 110.546 110.546 116.231 -5.685 19198 184 1 1 . 1 1 41 41 SER HA H 41 5.730 5.730 5.473 0.257 19198 185 1 1 . 1 1 41 41 SER CA C 41 52.696 52.696 56.541 -3.845 19198 186 1 1 . 1 1 41 41 SER CB C 41 63.820 63.820 65.909 -2.089 19198 187 1 1 . 1 1 41 41 SER H H 41 7.452 7.452 8.284 -0.832 19198 188 1 1 . 1 1 42 42 LEU N N 42 124.649 124.649 123.849 0.800 19198 189 1 1 . 1 1 42 42 LEU HA H 42 5.384 5.384 4.814 0.570 19198 190 1 1 . 1 1 42 42 LEU CA C 42 51.231 51.231 55.056 -3.825 19198 191 1 1 . 1 1 42 42 LEU CB C 42 46.451 46.451 45.785 0.666 19198 192 1 1 . 1 1 42 42 LEU H H 42 9.281 9.281 8.290 0.991 19198 193 1 1 . 1 1 43 43 VAL N N 43 125.093 125.093 124.244 0.849 19198 194 1 1 . 1 1 43 43 VAL HA H 43 4.629 4.629 5.158 -0.529 19198 195 1 1 . 1 1 43 43 VAL CA C 43 58.185 58.185 60.522 -2.337 19198 196 1 1 . 1 1 43 43 VAL CB C 43 33.136 33.136 35.407 -2.271 19198 197 1 1 . 1 1 43 43 VAL H H 43 8.849 8.849 7.990 0.859 19198 198 1 1 . 1 1 44 44 GLY N N 44 114.807 114.807 111.386 3.421 19198 199 1 1 . 1 1 44 44 GLY CA C 44 43.685 43.685 45.264 -1.579 19198 200 1 1 . 1 1 44 44 GLY H H 44 7.156 7.156 8.629 -1.473 19198 201 1 1 . 1 1 45 45 GLY N N 45 117.443 117.443 109.958 7.485 19198 202 1 1 . 1 1 45 45 GLY CA C 45 43.268 43.268 46.145 -2.877 19198 203 1 1 . 1 1 45 45 GLY H H 45 8.582 8.582 7.843 0.739 19198 204 1 1 . 1 1 46 46 VAL N N 46 117.075 117.075 117.991 -0.916 19198 205 1 1 . 1 1 46 46 VAL HA H 46 4.726 4.726 4.483 0.243 19198 206 1 1 . 1 1 46 46 VAL CA C 46 56.843 56.843 61.096 -4.253 19198 207 1 1 . 1 1 46 46 VAL CB C 46 33.568 33.568 34.714 -1.146 19198 208 1 1 . 1 1 46 46 VAL H H 46 8.875 8.875 8.527 0.348 19198 209 1 1 . 1 1 47 47 ILE N N 47 125.899 125.899 127.242 -1.343 19198 210 1 1 . 1 1 47 47 ILE HA H 47 4.778 4.778 4.534 0.244 19198 211 1 1 . 1 1 47 47 ILE CB C 47 37.664 37.664 39.413 -1.749 19198 212 1 1 . 1 1 47 47 ILE H H 47 8.765 8.765 8.232 0.533 19198 213 1 1 . 1 1 48 48 PHE N N 48 126.624 126.624 127.558 -0.934 19198 214 1 1 . 1 1 48 48 PHE HA H 48 4.777 4.777 4.959 -0.182 19198 215 1 1 . 1 1 48 48 PHE CA C 48 56.162 56.162 56.128 0.034 19198 216 1 1 . 1 1 48 48 PHE CB C 48 38.742 38.742 40.649 -1.907 19198 217 1 1 . 1 1 48 48 PHE H H 48 9.269 9.269 8.271 0.998 19198 218 1 1 . 1 1 49 49 GLU N N 49 123.550 123.550 122.843 0.707 19198 219 1 1 . 1 1 49 49 GLU HA H 49 4.021 4.021 3.981 0.040 19198 220 1 1 . 1 1 49 49 GLU CA C 49 56.574 56.574 59.718 -3.144 19198 221 1 1 . 1 1 49 49 GLU CB C 49 26.939 26.939 29.447 -2.508 19198 222 1 1 . 1 1 49 49 GLU H H 49 9.331 9.331 8.760 0.571 19198 223 1 1 . 1 1 50 50 ASP N N 50 113.383 113.383 116.454 -3.071 19198 224 1 1 . 1 1 50 50 ASP HA H 50 4.443 4.443 4.678 -0.235 19198 225 1 1 . 1 1 50 50 ASP CA C 50 51.307 51.307 54.102 -2.795 19198 226 1 1 . 1 1 50 50 ASP CB C 50 38.062 38.062 41.387 -3.325 19198 227 1 1 . 1 1 50 50 ASP H H 50 7.674 7.674 8.145 -0.471 19198 228 1 1 . 1 1 51 51 GLY N N 51 107.745 107.745 108.520 -0.775 19198 229 1 1 . 1 1 51 51 GLY CA C 51 42.245 42.245 45.127 -2.882 19198 230 1 1 . 1 1 51 51 GLY H H 51 7.884 7.884 7.718 0.166 19198 231 1 1 . 1 1 52 52 ARG N N 52 120.713 120.713 120.239 0.474 19198 232 1 1 . 1 1 52 52 ARG HA H 52 4.292 4.292 4.455 -0.163 19198 233 1 1 . 1 1 52 52 ARG CA C 52 55.314 55.314 54.469 0.845 19198 234 1 1 . 1 1 52 52 ARG CB C 52 29.759 29.759 30.947 -1.188 19198 235 1 1 . 1 1 52 52 ARG H H 52 7.880 7.880 7.934 -0.054 19198 236 1 1 . 1 1 53 53 HIS N N 53 120.216 120.216 124.727 -4.511 19198 237 1 1 . 1 1 53 53 HIS HA H 53 5.671 5.671 5.042 0.629 19198 238 1 1 . 1 1 53 53 HIS CA C 53 50.579 50.579 54.879 -4.300 19198 239 1 1 . 1 1 53 53 HIS CB C 53 29.165 29.165 30.839 -1.674 19198 240 1 1 . 1 1 53 53 HIS H H 53 8.961 8.961 8.467 0.494 19198 241 1 1 . 1 1 54 54 TYR N N 54 121.480 121.480 127.130 -5.650 19198 242 1 1 . 1 1 54 54 TYR HA H 54 5.574 5.574 5.178 0.396 19198 243 1 1 . 1 1 54 54 TYR CA C 54 53.397 53.397 56.444 -3.047 19198 244 1 1 . 1 1 54 54 TYR CB C 54 39.788 39.788 42.065 -2.277 19198 245 1 1 . 1 1 54 54 TYR H H 54 9.259 9.259 8.900 0.359 19198 246 1 1 . 1 1 55 55 THR N N 55 113.818 113.818 114.157 -0.339 19198 247 1 1 . 1 1 55 55 THR HA H 55 5.013 5.013 4.472 0.541 19198 248 1 1 . 1 1 55 55 THR CA C 55 57.994 57.994 61.955 -3.961 19198 249 1 1 . 1 1 55 55 THR CB C 55 67.733 67.733 69.724 -1.991 19198 250 1 1 . 1 1 55 55 THR H H 55 9.242 9.242 9.069 0.173 19198 251 1 1 . 1 1 56 56 PHE HA H 56 5.987 5.987 5.244 0.743 19198 252 1 1 . 1 1 56 56 PHE CA C 56 53.946 53.946 57.520 -3.574 19198 253 1 1 . 1 1 56 56 PHE CB C 56 42.416 42.416 43.576 -1.160 19198 254 1 1 . 1 1 57 57 VAL N N 57 120.407 120.407 126.743 -6.336 19198 255 1 1 . 1 1 57 57 VAL HA H 57 4.683 4.683 4.922 -0.239 19198 256 1 1 . 1 1 57 57 VAL CA C 57 59.696 59.696 60.059 -0.363 19198 257 1 1 . 1 1 57 57 VAL CB C 57 33.227 33.227 34.977 -1.750 19198 258 1 1 . 1 1 57 57 VAL H H 57 9.076 9.076 9.125 -0.049 19198 259 1 1 . 1 1 58 58 TYR N N 58 131.325 131.325 130.830 0.495 19198 260 1 1 . 1 1 58 58 TYR HA H 58 5.504 5.504 4.996 0.508 19198 261 1 1 . 1 1 58 58 TYR CA C 58 53.883 53.883 55.035 -1.152 19198 262 1 1 . 1 1 58 58 TYR CB C 58 38.558 38.558 39.023 -0.465 19198 263 1 1 . 1 1 58 58 TYR H H 58 9.821 9.821 8.554 1.267 19198 264 1 1 . 1 1 59 59 GLU N N 59 123.904 123.904 127.957 -4.053 19198 265 1 1 . 1 1 59 59 GLU HA H 59 4.519 4.519 4.533 -0.014 19198 266 1 1 . 1 1 59 59 GLU CA C 59 52.718 52.718 54.425 -1.707 19198 267 1 1 . 1 1 59 59 GLU CB C 59 29.084 29.084 30.152 -1.068 19198 268 1 1 . 1 1 59 59 GLU H H 59 8.182 8.182 8.942 -0.760 19198 269 1 1 . 1 1 60 60 ASN N N 60 123.227 123.227 124.261 -1.034 19198 270 1 1 . 1 1 60 60 ASN HA H 60 4.247 4.247 3.954 0.293 19198 271 1 1 . 1 1 60 60 ASN CA C 60 51.876 51.876 57.214 -5.338 19198 272 1 1 . 1 1 60 60 ASN CB C 60 34.949 34.949 37.608 -2.659 19198 273 1 1 . 1 1 60 60 ASN H H 60 9.566 9.566 8.264 1.302 19198 274 1 1 . 1 1 61 61 GLU N N 61 107.647 107.647 116.117 -8.470 19198 275 1 1 . 1 1 61 61 GLU HA H 61 3.500 3.500 4.661 -1.161 19198 276 1 1 . 1 1 61 61 GLU CA C 61 54.765 54.765 56.244 -1.479 19198 277 1 1 . 1 1 61 61 GLU CB C 61 25.167 25.167 32.538 -7.371 19198 278 1 1 . 1 1 61 61 GLU H H 61 8.387 8.387 8.204 0.183 19198 279 1 1 . 1 1 62 62 ASP N N 62 119.350 119.350 123.385 -4.035 19198 280 1 1 . 1 1 62 62 ASP HA H 62 4.724 4.724 4.701 0.023 19198 281 1 1 . 1 1 62 62 ASP CB C 62 41.251 41.251 41.649 -0.398 19198 282 1 1 . 1 1 62 62 ASP H H 62 7.314 7.314 8.239 -0.925 19198 283 1 1 . 1 1 63 63 LEU N N 63 123.998 123.998 127.715 -3.717 19198 284 1 1 . 1 1 63 63 LEU HA H 63 5.037 5.037 4.902 0.135 19198 285 1 1 . 1 1 63 63 LEU CA C 63 51.075 51.075 53.784 -2.709 19198 286 1 1 . 1 1 63 63 LEU CB C 63 42.312 42.312 41.859 0.453 19198 287 1 1 . 1 1 63 63 LEU H H 63 8.226 8.226 8.497 -0.271 19198 288 1 1 . 1 1 64 64 VAL N N 64 127.167 127.167 122.928 4.239 19198 289 1 1 . 1 1 64 64 VAL HA H 64 4.361 4.361 3.902 0.459 19198 290 1 1 . 1 1 64 64 VAL CA C 64 58.470 58.470 62.333 -3.863 19198 291 1 1 . 1 1 64 64 VAL CB C 64 31.939 31.939 32.622 -0.683 19198 292 1 1 . 1 1 64 64 VAL H H 64 8.915 8.915 8.402 0.513 19198 293 1 1 . 1 1 65 65 TYR N N 65 121.421 121.421 118.112 3.309 19198 294 1 1 . 1 1 65 65 TYR HA H 65 5.893 5.893 5.146 0.747 19198 295 1 1 . 1 1 65 65 TYR CA C 65 53.115 53.115 55.748 -2.634 19198 296 1 1 . 1 1 65 65 TYR CB C 65 39.948 39.948 40.975 -1.027 19198 297 1 1 . 1 1 65 65 TYR H H 65 8.207 8.207 7.872 0.335 19198 298 1 1 . 1 1 66 66 GLU N N 66 117.842 117.842 118.816 -0.974 19198 299 1 1 . 1 1 66 66 GLU HA H 66 4.793 4.793 4.714 0.079 19198 300 1 1 . 1 1 66 66 GLU CB C 66 30.949 30.949 33.841 -2.892 19198 301 1 1 . 1 1 66 66 GLU H H 66 8.875 8.875 8.809 0.066 19198 302 1 1 . 1 1 67 67 GLU N N 67 125.220 125.220 121.624 3.596 19198 303 1 1 . 1 1 67 67 GLU HA H 67 4.084 4.084 4.144 -0.060 19198 304 1 1 . 1 1 67 67 GLU CA C 67 54.157 54.157 57.327 -3.170 19198 305 1 1 . 1 1 67 67 GLU CB C 67 27.697 27.697 30.492 -2.795 19198 306 1 1 . 1 1 67 67 GLU H H 67 9.033 9.033 8.817 0.216 19198 307 1 1 . 1 1 68 68 GLU N N 68 127.058 127.058 125.599 1.459 19198 308 1 1 . 1 1 68 68 GLU HA H 68 4.358 4.358 4.287 0.071 19198 309 1 1 . 1 1 68 68 GLU CA C 68 53.193 53.193 56.201 -3.008 19198 310 1 1 . 1 1 68 68 GLU CB C 68 28.405 28.405 29.019 -0.614 19198 311 1 1 . 1 1 68 68 GLU H H 68 8.546 8.546 7.976 0.570 19198 312 1 1 . 1 1 69 69 VAL N N 69 125.782 125.782 121.195 4.587 19198 313 1 1 . 1 1 69 69 VAL HA H 69 4.046 4.046 4.558 -0.512 19198 314 1 1 . 1 1 69 69 VAL CA C 69 59.775 59.775 61.869 -2.094 19198 315 1 1 . 1 1 69 69 VAL CB C 69 30.174 30.174 32.470 -2.296 19198 316 1 1 . 1 1 69 69 VAL H H 69 8.422 8.422 8.103 0.319 19198 317 1 2 . 1 1 3 3 ASP N N 3 120.996 120.996 119.071 1.925 19198 318 1 2 . 1 1 3 3 ASP H H 3 8.416 8.416 8.403 0.013 19198 319 1 2 . 1 1 4 4 ARG N N 4 120.957 120.957 119.950 1.007 19198 320 1 2 . 1 1 4 4 ARG H H 4 8.187 8.187 7.634 0.553 19198 321 1 2 . 1 1 5 5 LYS N N 5 122.746 122.746 120.673 2.073 19198 322 1 2 . 1 1 5 5 LYS HA H 5 4.209 4.209 4.465 -0.256 19198 323 1 2 . 1 1 5 5 LYS CA C 5 53.562 53.562 56.195 -2.633 19198 324 1 2 . 1 1 5 5 LYS CB C 5 30.595 30.595 34.473 -3.878 19198 325 1 2 . 1 1 5 5 LYS H H 5 8.223 8.223 7.961 0.262 19198 326 1 2 . 1 1 6 6 LEU N N 6 124.432 124.432 123.093 1.339 19198 327 1 2 . 1 1 6 6 LEU HA H 6 4.345 4.345 4.939 -0.594 19198 328 1 2 . 1 1 6 6 LEU CA C 6 52.051 52.051 53.759 -1.708 19198 329 1 2 . 1 1 6 6 LEU CB C 6 39.833 39.833 44.166 -4.333 19198 330 1 2 . 1 1 6 6 LEU H H 6 8.258 8.258 8.167 0.091 19198 331 1 2 . 1 1 7 7 MET N N 7 122.420 122.420 117.942 4.478 19198 332 1 2 . 1 1 7 7 MET HA H 7 4.529 4.529 4.944 -0.415 19198 333 1 2 . 1 1 7 7 MET CA C 7 52.288 52.288 54.283 -1.996 19198 334 1 2 . 1 1 7 7 MET CB C 7 30.827 30.827 34.069 -3.242 19198 335 1 2 . 1 1 7 7 MET H H 7 8.284 8.284 8.150 0.134 19198 336 1 2 . 1 1 8 8 LYS N N 8 124.204 124.204 121.237 2.967 19198 337 1 2 . 1 1 8 8 LYS HA H 8 4.461 4.461 4.338 0.123 19198 338 1 2 . 1 1 8 8 LYS CA C 8 53.986 53.986 56.554 -2.568 19198 339 1 2 . 1 1 8 8 LYS CB C 8 31.771 31.771 32.843 -1.072 19198 340 1 2 . 1 1 8 8 LYS H H 8 9.420 9.420 8.412 1.008 19198 341 1 2 . 1 1 9 9 THR N N 9 113.488 113.488 112.201 1.287 19198 342 1 2 . 1 1 9 9 THR HA H 9 4.366 4.366 4.515 -0.149 19198 343 1 2 . 1 1 9 9 THR CA C 9 57.964 57.964 60.839 -2.875 19198 344 1 2 . 1 1 9 9 THR CB C 9 68.912 68.912 70.341 -1.429 19198 345 1 2 . 1 1 9 9 THR H H 9 8.817 8.817 8.159 0.658 19198 346 1 2 . 1 1 10 10 GLN N N 10 121.509 121.509 120.444 1.065 19198 347 1 2 . 1 1 10 10 GLN HA H 10 3.012 3.012 3.725 -0.713 19198 348 1 2 . 1 1 10 10 GLN CA C 10 57.666 57.666 59.983 -2.317 19198 349 1 2 . 1 1 10 10 GLN CB C 10 24.850 24.850 27.867 -3.017 19198 350 1 2 . 1 1 10 10 GLN H H 10 8.586 8.586 8.484 0.102 19198 351 1 2 . 1 1 11 11 GLU N N 11 121.406 121.406 119.592 1.814 19198 352 1 2 . 1 1 11 11 GLU HA H 11 3.801 3.801 3.885 -0.084 19198 353 1 2 . 1 1 11 11 GLU CA C 11 57.739 57.739 59.778 -2.038 19198 354 1 2 . 1 1 11 11 GLU CB C 11 26.332 26.332 29.344 -3.012 19198 355 1 2 . 1 1 11 11 GLU H H 11 8.998 8.998 8.555 0.443 19198 356 1 2 . 1 1 12 12 GLU N N 12 120.601 120.601 119.379 1.222 19198 357 1 2 . 1 1 12 12 GLU HA H 12 3.864 3.864 3.958 -0.094 19198 358 1 2 . 1 1 12 12 GLU CA C 12 56.542 56.542 59.621 -3.079 19198 359 1 2 . 1 1 12 12 GLU CB C 12 27.796 27.796 29.507 -1.711 19198 360 1 2 . 1 1 12 12 GLU H H 12 7.688 7.688 8.112 -0.424 19198 361 1 2 . 1 1 13 13 LEU N N 13 117.867 117.867 118.480 -0.613 19198 362 1 2 . 1 1 13 13 LEU HA H 13 3.755 3.755 4.029 -0.274 19198 363 1 2 . 1 1 13 13 LEU CA C 13 54.855 54.855 57.962 -3.107 19198 364 1 2 . 1 1 13 13 LEU CB C 13 40.140 40.140 41.387 -1.247 19198 365 1 2 . 1 1 13 13 LEU H H 13 8.172 8.172 7.785 0.387 19198 366 1 2 . 1 1 14 14 THR N N 14 115.136 115.136 115.529 -0.393 19198 367 1 2 . 1 1 14 14 THR HA H 14 3.256 3.256 3.911 -0.655 19198 368 1 2 . 1 1 14 14 THR CA C 14 64.768 64.768 67.261 -2.493 19198 369 1 2 . 1 1 14 14 THR CB C 14 65.545 65.545 68.289 -2.744 19198 370 1 2 . 1 1 14 14 THR H H 14 8.166 8.166 8.231 -0.065 19198 371 1 2 . 1 1 15 15 GLU N N 15 120.674 120.674 121.672 -0.998 19198 372 1 2 . 1 1 15 15 GLU HA H 15 3.857 3.857 4.105 -0.248 19198 373 1 2 . 1 1 15 15 GLU CA C 15 56.467 56.467 59.269 -2.802 19198 374 1 2 . 1 1 15 15 GLU CB C 15 26.370 26.370 29.339 -2.969 19198 375 1 2 . 1 1 15 15 GLU H H 15 7.504 7.504 8.195 -0.691 19198 376 1 2 . 1 1 16 16 ILE N N 16 119.946 119.946 120.772 -0.826 19198 377 1 2 . 1 1 16 16 ILE HA H 16 3.602 3.602 3.580 0.022 19198 378 1 2 . 1 1 16 16 ILE CA C 16 62.428 62.428 65.654 -3.226 19198 379 1 2 . 1 1 16 16 ILE CB C 16 35.913 35.913 37.620 -1.706 19198 380 1 2 . 1 1 16 16 ILE H H 16 7.162 7.162 8.468 -1.306 19198 381 1 2 . 1 1 17 17 VAL N N 17 120.087 120.087 118.369 1.718 19198 382 1 2 . 1 1 17 17 VAL HA H 17 3.001 3.001 3.257 -0.256 19198 383 1 2 . 1 1 17 17 VAL CA C 17 64.706 64.706 66.307 -1.601 19198 384 1 2 . 1 1 17 17 VAL CB C 17 28.391 28.391 30.991 -2.600 19198 385 1 2 . 1 1 17 17 VAL H H 17 7.539 7.539 7.197 0.342 19198 386 1 2 . 1 1 18 18 ARG N N 18 121.099 121.099 119.131 1.968 19198 387 1 2 . 1 1 18 18 ARG HA H 18 3.438 3.438 4.168 -0.730 19198 388 1 2 . 1 1 18 18 ARG CA C 18 57.834 57.834 59.303 -1.469 19198 389 1 2 . 1 1 18 18 ARG CB C 18 27.388 27.388 30.258 -2.870 19198 390 1 2 . 1 1 18 18 ARG H H 18 8.708 8.708 8.167 0.541 19198 391 1 2 . 1 1 19 19 ASP N N 19 118.955 118.955 119.863 -0.908 19198 392 1 2 . 1 1 19 19 ASP HA H 19 4.215 4.215 4.461 -0.246 19198 393 1 2 . 1 1 19 19 ASP CA C 19 54.604 54.604 57.012 -2.408 19198 394 1 2 . 1 1 19 19 ASP CB C 19 37.705 37.705 40.915 -3.210 19198 395 1 2 . 1 1 19 19 ASP H H 19 8.286 8.286 8.256 0.030 19198 396 1 2 . 1 1 20 20 HIS N N 20 116.419 116.419 115.111 1.308 19198 397 1 2 . 1 1 20 20 HIS HA H 20 4.147 4.147 4.589 -0.442 19198 398 1 2 . 1 1 20 20 HIS CA C 20 56.243 56.243 57.228 -0.985 19198 399 1 2 . 1 1 20 20 HIS CB C 20 26.196 26.196 30.368 -4.172 19198 400 1 2 . 1 1 20 20 HIS H H 20 7.532 7.532 7.867 -0.335 19198 401 1 2 . 1 1 21 21 PHE N N 21 116.347 116.347 118.998 -2.651 19198 402 1 2 . 1 1 21 21 PHE HA H 21 4.463 4.463 4.783 -0.320 19198 403 1 2 . 1 1 21 21 PHE CA C 21 58.279 58.279 57.202 1.077 19198 404 1 2 . 1 1 21 21 PHE CB C 21 36.780 36.780 40.680 -3.900 19198 405 1 2 . 1 1 21 21 PHE H H 21 7.983 7.983 8.160 -0.177 19198 406 1 2 . 1 1 22 22 SER N N 22 116.555 116.555 118.058 -1.503 19198 407 1 2 . 1 1 22 22 SER HA H 22 4.541 4.541 4.218 0.323 19198 408 1 2 . 1 1 22 22 SER CA C 22 59.013 59.013 61.441 -2.429 19198 409 1 2 . 1 1 22 22 SER CB C 22 60.225 60.225 63.030 -2.805 19198 410 1 2 . 1 1 22 22 SER H H 22 8.578 8.578 7.844 0.734 19198 411 1 2 . 1 1 23 23 ASP N N 23 118.564 118.564 121.150 -2.586 19198 412 1 2 . 1 1 23 23 ASP HA H 23 4.581 4.581 4.651 -0.070 19198 413 1 2 . 1 1 23 23 ASP CA C 23 52.796 52.796 55.679 -2.883 19198 414 1 2 . 1 1 23 23 ASP CB C 23 38.460 38.460 41.049 -2.589 19198 415 1 2 . 1 1 23 23 ASP H H 23 7.246 7.246 8.547 -1.301 19198 416 1 2 . 1 1 24 24 MET N N 24 116.378 116.378 117.155 -0.777 19198 417 1 2 . 1 1 24 24 MET HA H 24 4.207 4.207 4.464 -0.257 19198 418 1 2 . 1 1 24 24 MET CA C 24 53.696 53.696 55.380 -1.684 19198 419 1 2 . 1 1 24 24 MET CB C 24 32.101 32.101 34.035 -1.934 19198 420 1 2 . 1 1 24 24 MET H H 24 7.958 7.958 7.451 0.507 19198 421 1 2 . 1 1 25 25 GLY N N 25 107.470 107.470 108.731 -1.261 19198 422 1 2 . 1 1 25 25 GLY CA C 25 42.230 42.230 44.583 -2.353 19198 423 1 2 . 1 1 25 25 GLY H H 25 7.475 7.475 7.426 0.049 19198 424 1 2 . 1 1 26 26 GLU N N 26 117.869 117.869 119.859 -1.990 19198 425 1 2 . 1 1 26 26 GLU HA H 26 4.452 4.452 4.266 0.186 19198 426 1 2 . 1 1 26 26 GLU CA C 26 52.851 52.851 54.867 -2.016 19198 427 1 2 . 1 1 26 26 GLU CB C 26 27.412 27.412 28.352 -0.940 19198 428 1 2 . 1 1 26 26 GLU H H 26 8.397 8.397 8.182 0.215 19198 429 1 2 . 1 1 27 27 ILE N N 27 129.460 129.460 124.138 5.322 19198 430 1 2 . 1 1 27 27 ILE HA H 27 3.206 3.206 3.658 -0.452 19198 431 1 2 . 1 1 27 27 ILE CA C 27 61.133 61.133 62.815 -1.682 19198 432 1 2 . 1 1 27 27 ILE CB C 27 36.987 36.987 38.010 -1.023 19198 433 1 2 . 1 1 27 27 ILE H H 27 8.980 8.980 7.616 1.364 19198 434 1 2 . 1 1 28 28 ALA N N 28 131.875 131.875 128.774 3.101 19198 435 1 2 . 1 1 28 28 ALA HA H 28 4.492 4.492 4.578 -0.086 19198 436 1 2 . 1 1 28 28 ALA CA C 28 50.949 50.949 52.450 -1.501 19198 437 1 2 . 1 1 28 28 ALA CB C 28 17.101 17.101 21.153 -4.052 19198 438 1 2 . 1 1 28 28 ALA H H 28 9.208 9.208 8.929 0.279 19198 439 1 2 . 1 1 29 29 THR N N 29 112.070 112.070 116.023 -3.953 19198 440 1 2 . 1 1 29 29 THR HA H 29 4.346 4.346 4.613 -0.267 19198 441 1 2 . 1 1 29 29 THR CA C 29 58.963 58.963 62.152 -3.189 19198 442 1 2 . 1 1 29 29 THR CB C 29 69.475 69.475 69.826 -0.352 19198 443 1 2 . 1 1 29 29 THR H H 29 7.803 7.803 8.217 -0.414 19198 444 1 2 . 1 1 30 30 LEU N N 30 129.754 129.754 129.610 0.144 19198 445 1 2 . 1 1 30 30 LEU HA H 30 4.878 4.878 4.901 -0.023 19198 446 1 2 . 1 1 30 30 LEU CA C 30 52.316 52.316 54.644 -2.328 19198 447 1 2 . 1 1 30 30 LEU CB C 30 42.195 42.195 42.635 -0.440 19198 448 1 2 . 1 1 30 30 LEU H H 30 8.388 8.388 8.775 -0.387 19198 449 1 2 . 1 1 31 31 TYR N N 31 124.642 124.642 125.911 -1.269 19198 450 1 2 . 1 1 31 31 TYR HA H 31 5.108 5.108 4.834 0.274 19198 451 1 2 . 1 1 31 31 TYR CA C 31 52.174 52.174 56.500 -4.326 19198 452 1 2 . 1 1 31 31 TYR CB C 31 38.406 38.406 39.727 -1.321 19198 453 1 2 . 1 1 31 31 TYR H H 31 8.837 8.837 8.631 0.206 19198 454 1 2 . 1 1 32 32 VAL N N 32 121.165 121.165 120.306 0.859 19198 455 1 2 . 1 1 32 32 VAL HA H 32 4.083 4.083 4.281 -0.198 19198 456 1 2 . 1 1 32 32 VAL CA C 32 59.645 59.645 60.905 -1.260 19198 457 1 2 . 1 1 32 32 VAL CB C 32 32.016 32.016 34.262 -2.246 19198 458 1 2 . 1 1 32 32 VAL H H 32 8.684 8.684 8.097 0.587 19198 459 1 2 . 1 1 33 33 GLN N N 33 126.911 126.911 125.731 1.180 19198 460 1 2 . 1 1 33 33 GLN HA H 33 4.462 4.462 4.361 0.101 19198 461 1 2 . 1 1 33 33 GLN CA C 33 54.266 54.266 56.127 -1.861 19198 462 1 2 . 1 1 33 33 GLN CB C 33 28.717 28.717 29.191 -0.474 19198 463 1 2 . 1 1 33 33 GLN H H 33 9.633 9.633 8.358 1.275 19198 464 1 2 . 1 1 34 34 VAL N N 34 117.041 117.041 112.955 4.086 19198 465 1 2 . 1 1 34 34 VAL HA H 34 4.313 4.313 4.417 -0.104 19198 466 1 2 . 1 1 34 34 VAL CA C 34 59.270 59.270 61.062 -1.792 19198 467 1 2 . 1 1 34 34 VAL CB C 34 33.725 33.725 33.310 0.415 19198 468 1 2 . 1 1 34 34 VAL H H 34 7.840 7.840 7.283 0.557 19198 469 1 2 . 1 1 35 35 TYR N N 35 128.263 128.263 127.752 0.511 19198 470 1 2 . 1 1 35 35 TYR HA H 35 5.415 5.415 5.110 0.305 19198 471 1 2 . 1 1 35 35 TYR CA C 35 52.594 52.594 55.618 -3.024 19198 472 1 2 . 1 1 35 35 TYR CB C 35 38.583 38.583 40.958 -2.375 19198 473 1 2 . 1 1 35 35 TYR H H 35 8.580 8.580 8.429 0.151 19198 474 1 2 . 1 1 36 36 GLU N N 36 129.574 129.574 128.019 1.555 19198 475 1 2 . 1 1 36 36 GLU HA H 36 4.403 4.403 4.246 0.157 19198 476 1 2 . 1 1 36 36 GLU CA C 36 51.421 51.421 55.110 -3.689 19198 477 1 2 . 1 1 36 36 GLU CB C 36 28.035 28.035 29.429 -1.394 19198 478 1 2 . 1 1 36 36 GLU H H 36 8.118 8.118 8.384 -0.266 19198 479 1 2 . 1 1 37 37 SER N N 37 121.805 121.805 121.442 0.363 19198 480 1 2 . 1 1 37 37 SER HA H 37 3.754 3.754 4.053 -0.299 19198 481 1 2 . 1 1 37 37 SER CA C 37 57.817 57.817 60.050 -2.233 19198 482 1 2 . 1 1 37 37 SER CB C 37 60.041 60.041 63.124 -3.083 19198 483 1 2 . 1 1 37 37 SER H H 37 8.312 8.312 8.420 -0.108 19198 484 1 2 . 1 1 38 38 SER N N 38 116.337 116.337 112.770 3.567 19198 485 1 2 . 1 1 38 38 SER HA H 38 4.214 4.214 4.575 -0.361 19198 486 1 2 . 1 1 38 38 SER CA C 38 58.237 58.237 58.048 0.189 19198 487 1 2 . 1 1 38 38 SER CB C 38 60.243 60.243 64.381 -4.138 19198 488 1 2 . 1 1 38 38 SER H H 38 8.389 8.389 7.920 0.469 19198 489 1 2 . 1 1 39 39 LEU N N 39 119.070 119.070 121.997 -2.927 19198 490 1 2 . 1 1 39 39 LEU HA H 39 4.414 4.414 4.557 -0.143 19198 491 1 2 . 1 1 39 39 LEU CA C 39 51.365 51.365 53.928 -2.563 19198 492 1 2 . 1 1 39 39 LEU CB C 39 40.504 40.504 44.016 -3.512 19198 493 1 2 . 1 1 39 39 LEU H H 39 6.905 6.905 7.057 -0.152 19198 494 1 2 . 1 1 40 40 GLU N N 40 118.837 118.837 117.573 1.264 19198 495 1 2 . 1 1 40 40 GLU HA H 40 3.781 3.781 4.579 -0.798 19198 496 1 2 . 1 1 40 40 GLU CA C 40 54.621 54.621 55.782 -1.161 19198 497 1 2 . 1 1 40 40 GLU CB C 40 26.307 26.307 29.497 -3.190 19198 498 1 2 . 1 1 40 40 GLU H H 40 7.814 7.814 8.269 -0.455 19198 499 1 2 . 1 1 41 41 SER N N 41 110.546 110.546 116.178 -5.632 19198 500 1 2 . 1 1 41 41 SER HA H 41 5.730 5.730 4.523 1.207 19198 501 1 2 . 1 1 41 41 SER CA C 41 52.696 52.696 57.978 -5.282 19198 502 1 2 . 1 1 41 41 SER CB C 41 63.820 63.820 65.070 -1.250 19198 503 1 2 . 1 1 41 41 SER H H 41 7.452 7.452 7.989 -0.537 19198 504 1 2 . 1 1 42 42 LEU N N 42 124.649 124.649 125.710 -1.061 19198 505 1 2 . 1 1 42 42 LEU HA H 42 5.384 5.384 4.850 0.534 19198 506 1 2 . 1 1 42 42 LEU CA C 42 51.231 51.231 54.444 -3.213 19198 507 1 2 . 1 1 42 42 LEU CB C 42 46.451 46.451 44.961 1.490 19198 508 1 2 . 1 1 42 42 LEU H H 42 9.281 9.281 7.992 1.290 19198 509 1 2 . 1 1 43 43 VAL N N 43 125.093 125.093 124.117 0.976 19198 510 1 2 . 1 1 43 43 VAL HA H 43 4.629 4.629 4.534 0.095 19198 511 1 2 . 1 1 43 43 VAL CA C 43 58.185 58.185 60.724 -2.539 19198 512 1 2 . 1 1 43 43 VAL CB C 43 33.136 33.136 35.897 -2.760 19198 513 1 2 . 1 1 43 43 VAL H H 43 8.849 8.849 7.877 0.972 19198 514 1 2 . 1 1 44 44 GLY N N 44 114.807 114.807 109.443 5.364 19198 515 1 2 . 1 1 44 44 GLY CA C 44 43.685 43.685 45.002 -1.317 19198 516 1 2 . 1 1 44 44 GLY H H 44 7.156 7.156 8.673 -1.517 19198 517 1 2 . 1 1 45 45 GLY N N 45 117.443 117.443 108.920 8.523 19198 518 1 2 . 1 1 45 45 GLY CA C 45 43.268 43.268 45.762 -2.494 19198 519 1 2 . 1 1 45 45 GLY H H 45 8.582 8.582 8.057 0.525 19198 520 1 2 . 1 1 46 46 VAL N N 46 117.075 117.075 119.506 -2.431 19198 521 1 2 . 1 1 46 46 VAL HA H 46 4.726 4.726 4.894 -0.168 19198 522 1 2 . 1 1 46 46 VAL CA C 46 56.843 56.843 61.580 -4.737 19198 523 1 2 . 1 1 46 46 VAL CB C 46 33.568 33.568 34.899 -1.331 19198 524 1 2 . 1 1 46 46 VAL H H 46 8.875 8.875 8.348 0.527 19198 525 1 2 . 1 1 47 47 ILE N N 47 125.899 125.899 128.705 -2.806 19198 526 1 2 . 1 1 47 47 ILE HA H 47 4.778 4.778 4.959 -0.181 19198 527 1 2 . 1 1 47 47 ILE CB C 47 37.664 37.664 40.204 -2.540 19198 528 1 2 . 1 1 47 47 ILE H H 47 8.765 8.765 8.740 0.025 19198 529 1 2 . 1 1 48 48 PHE N N 48 126.624 126.624 126.949 -0.325 19198 530 1 2 . 1 1 48 48 PHE HA H 48 4.777 4.777 5.094 -0.317 19198 531 1 2 . 1 1 48 48 PHE CA C 48 56.162 56.162 56.105 0.057 19198 532 1 2 . 1 1 48 48 PHE CB C 48 38.742 38.742 40.011 -1.269 19198 533 1 2 . 1 1 48 48 PHE H H 48 9.269 9.269 9.261 0.008 19198 534 1 2 . 1 1 49 49 GLU N N 49 123.550 123.550 120.937 2.613 19198 535 1 2 . 1 1 49 49 GLU HA H 49 4.021 4.021 4.146 -0.125 19198 536 1 2 . 1 1 49 49 GLU CA C 49 56.574 56.574 59.027 -2.453 19198 537 1 2 . 1 1 49 49 GLU CB C 49 26.939 26.939 29.651 -2.712 19198 538 1 2 . 1 1 49 49 GLU H H 49 9.331 9.331 8.624 0.707 19198 539 1 2 . 1 1 50 50 ASP N N 50 113.383 113.383 117.724 -4.341 19198 540 1 2 . 1 1 50 50 ASP HA H 50 4.443 4.443 4.656 -0.213 19198 541 1 2 . 1 1 50 50 ASP CA C 50 51.307 51.307 53.841 -2.534 19198 542 1 2 . 1 1 50 50 ASP CB C 50 38.062 38.062 41.214 -3.152 19198 543 1 2 . 1 1 50 50 ASP H H 50 7.674 7.674 8.320 -0.646 19198 544 1 2 . 1 1 51 51 GLY N N 51 107.745 107.745 107.743 0.002 19198 545 1 2 . 1 1 51 51 GLY CA C 51 42.245 42.245 45.338 -3.093 19198 546 1 2 . 1 1 51 51 GLY H H 51 7.884 7.884 7.687 0.197 19198 547 1 2 . 1 1 52 52 ARG N N 52 120.713 120.713 120.155 0.558 19198 548 1 2 . 1 1 52 52 ARG HA H 52 4.292 4.292 4.395 -0.103 19198 549 1 2 . 1 1 52 52 ARG CA C 52 55.314 55.314 54.077 1.237 19198 550 1 2 . 1 1 52 52 ARG CB C 52 29.759 29.759 30.936 -1.177 19198 551 1 2 . 1 1 52 52 ARG H H 52 7.880 7.880 7.731 0.149 19198 552 1 2 . 1 1 53 53 HIS N N 53 120.216 120.216 124.631 -4.415 19198 553 1 2 . 1 1 53 53 HIS HA H 53 5.671 5.671 5.276 0.395 19198 554 1 2 . 1 1 53 53 HIS CA C 53 50.579 50.579 54.405 -3.826 19198 555 1 2 . 1 1 53 53 HIS CB C 53 29.165 29.165 31.890 -2.725 19198 556 1 2 . 1 1 53 53 HIS H H 53 8.961 8.961 8.681 0.280 19198 557 1 2 . 1 1 54 54 TYR N N 54 121.480 121.480 123.291 -1.811 19198 558 1 2 . 1 1 54 54 TYR HA H 54 5.574 5.574 4.828 0.746 19198 559 1 2 . 1 1 54 54 TYR CA C 54 53.397 53.397 56.322 -2.925 19198 560 1 2 . 1 1 54 54 TYR CB C 54 39.788 39.788 42.949 -3.161 19198 561 1 2 . 1 1 54 54 TYR H H 54 9.259 9.259 8.953 0.306 19198 562 1 2 . 1 1 55 55 THR N N 55 113.818 113.818 114.448 -0.630 19198 563 1 2 . 1 1 55 55 THR HA H 55 5.013 5.013 4.652 0.361 19198 564 1 2 . 1 1 55 55 THR CA C 55 57.994 57.994 60.862 -2.868 19198 565 1 2 . 1 1 55 55 THR CB C 55 67.733 67.733 68.667 -0.934 19198 566 1 2 . 1 1 55 55 THR H H 55 9.242 9.242 8.808 0.434 19198 567 1 2 . 1 1 56 56 PHE HA H 56 5.987 5.987 4.931 1.056 19198 568 1 2 . 1 1 56 56 PHE CA C 56 53.946 53.946 58.308 -4.362 19198 569 1 2 . 1 1 56 56 PHE CB C 56 42.416 42.416 40.451 1.965 19198 570 1 2 . 1 1 57 57 VAL N N 57 120.407 120.407 122.115 -1.708 19198 571 1 2 . 1 1 57 57 VAL HA H 57 4.683 4.683 4.417 0.266 19198 572 1 2 . 1 1 57 57 VAL CA C 57 59.696 59.696 61.146 -1.450 19198 573 1 2 . 1 1 57 57 VAL CB C 57 33.227 33.227 35.401 -2.174 19198 574 1 2 . 1 1 57 57 VAL H H 57 9.076 9.076 9.108 -0.032 19198 575 1 2 . 1 1 58 58 TYR N N 58 131.325 131.325 130.567 0.758 19198 576 1 2 . 1 1 58 58 TYR HA H 58 5.504 5.504 5.164 0.340 19198 577 1 2 . 1 1 58 58 TYR CA C 58 53.883 53.883 55.463 -1.580 19198 578 1 2 . 1 1 58 58 TYR CB C 58 38.558 38.558 39.614 -1.056 19198 579 1 2 . 1 1 58 58 TYR H H 58 9.821 9.821 8.722 1.099 19198 580 1 2 . 1 1 59 59 GLU N N 59 123.904 123.904 127.513 -3.609 19198 581 1 2 . 1 1 59 59 GLU HA H 59 4.519 4.519 4.523 -0.004 19198 582 1 2 . 1 1 59 59 GLU CA C 59 52.718 52.718 54.748 -2.030 19198 583 1 2 . 1 1 59 59 GLU CB C 59 29.084 29.084 29.459 -0.375 19198 584 1 2 . 1 1 59 59 GLU H H 59 8.182 8.182 8.686 -0.504 19198 585 1 2 . 1 1 60 60 ASN N N 60 123.227 123.227 122.938 0.289 19198 586 1 2 . 1 1 60 60 ASN HA H 60 4.247 4.247 3.924 0.323 19198 587 1 2 . 1 1 60 60 ASN CA C 60 51.876 51.876 56.285 -4.409 19198 588 1 2 . 1 1 60 60 ASN CB C 60 34.949 34.949 37.509 -2.560 19198 589 1 2 . 1 1 60 60 ASN H H 60 9.566 9.566 8.655 0.911 19198 590 1 2 . 1 1 61 61 GLU N N 61 107.647 107.647 115.656 -8.009 19198 591 1 2 . 1 1 61 61 GLU HA H 61 3.500 3.500 4.608 -1.108 19198 592 1 2 . 1 1 61 61 GLU CA C 61 54.765 54.765 55.973 -1.208 19198 593 1 2 . 1 1 61 61 GLU CB C 61 25.167 25.167 32.021 -6.854 19198 594 1 2 . 1 1 61 61 GLU H H 61 8.387 8.387 8.033 0.354 19198 595 1 2 . 1 1 62 62 ASP N N 62 119.350 119.350 121.898 -2.548 19198 596 1 2 . 1 1 62 62 ASP HA H 62 4.724 4.724 4.883 -0.159 19198 597 1 2 . 1 1 62 62 ASP CB C 62 41.251 41.251 43.458 -2.207 19198 598 1 2 . 1 1 62 62 ASP H H 62 7.314 7.314 7.651 -0.337 19198 599 1 2 . 1 1 63 63 LEU N N 63 123.998 123.998 125.331 -1.333 19198 600 1 2 . 1 1 63 63 LEU HA H 63 5.037 5.037 5.220 -0.183 19198 601 1 2 . 1 1 63 63 LEU CA C 63 51.075 51.075 54.276 -3.201 19198 602 1 2 . 1 1 63 63 LEU CB C 63 42.312 42.312 43.153 -0.841 19198 603 1 2 . 1 1 63 63 LEU H H 63 8.226 8.226 8.558 -0.332 19198 604 1 2 . 1 1 64 64 VAL N N 64 127.167 127.167 126.629 0.538 19198 605 1 2 . 1 1 64 64 VAL HA H 64 4.361 4.361 4.424 -0.063 19198 606 1 2 . 1 1 64 64 VAL CA C 64 58.470 58.470 61.117 -2.647 19198 607 1 2 . 1 1 64 64 VAL CB C 64 31.939 31.939 34.397 -2.458 19198 608 1 2 . 1 1 64 64 VAL H H 64 8.915 8.915 9.146 -0.231 19198 609 1 2 . 1 1 65 65 TYR N N 65 121.421 121.421 120.265 1.156 19198 610 1 2 . 1 1 65 65 TYR HA H 65 5.893 5.893 5.308 0.585 19198 611 1 2 . 1 1 65 65 TYR CA C 65 53.115 53.115 55.408 -2.293 19198 612 1 2 . 1 1 65 65 TYR CB C 65 39.948 39.948 41.585 -1.637 19198 613 1 2 . 1 1 65 65 TYR H H 65 8.207 8.207 7.999 0.208 19198 614 1 2 . 1 1 66 66 GLU N N 66 117.842 117.842 120.157 -2.315 19198 615 1 2 . 1 1 66 66 GLU HA H 66 4.793 4.793 4.633 0.160 19198 616 1 2 . 1 1 66 66 GLU CB C 66 30.949 30.949 32.905 -1.956 19198 617 1 2 . 1 1 66 66 GLU H H 66 8.875 8.875 8.668 0.207 19198 618 1 2 . 1 1 67 67 GLU N N 67 125.220 125.220 124.579 0.641 19198 619 1 2 . 1 1 67 67 GLU HA H 67 4.084 4.084 4.567 -0.483 19198 620 1 2 . 1 1 67 67 GLU CA C 67 54.157 54.157 55.532 -1.375 19198 621 1 2 . 1 1 67 67 GLU CB C 67 27.697 27.697 31.297 -3.600 19198 622 1 2 . 1 1 67 67 GLU H H 67 9.033 9.033 8.723 0.310 19198 623 1 2 . 1 1 68 68 GLU N N 68 127.058 127.058 124.608 2.450 19198 624 1 2 . 1 1 68 68 GLU HA H 68 4.358 4.358 4.183 0.175 19198 625 1 2 . 1 1 68 68 GLU CA C 68 53.193 53.193 56.578 -3.385 19198 626 1 2 . 1 1 68 68 GLU CB C 68 28.405 28.405 29.979 -1.574 19198 627 1 2 . 1 1 68 68 GLU H H 68 8.546 8.546 8.121 0.425 19198 628 1 2 . 1 1 69 69 VAL N N 69 125.782 125.782 126.746 -0.964 19198 629 1 2 . 1 1 69 69 VAL HA H 69 4.046 4.046 4.303 -0.257 19198 630 1 2 . 1 1 69 69 VAL CA C 69 59.775 59.775 61.706 -1.931 19198 631 1 2 . 1 1 69 69 VAL CB C 69 30.174 30.174 31.167 -0.993 19198 632 1 2 . 1 1 69 69 VAL H H 69 8.422 8.422 8.487 -0.065 19198 633 1 3 . 1 1 3 3 ASP N N 3 120.996 120.996 119.928 1.068 19198 634 1 3 . 1 1 3 3 ASP H H 3 8.416 8.416 8.446 -0.030 19198 635 1 3 . 1 1 4 4 ARG N N 4 120.957 120.957 119.433 1.524 19198 636 1 3 . 1 1 4 4 ARG H H 4 8.187 8.187 8.043 0.144 19198 637 1 3 . 1 1 5 5 LYS N N 5 122.746 122.746 122.360 0.386 19198 638 1 3 . 1 1 5 5 LYS HA H 5 4.209 4.209 4.593 -0.384 19198 639 1 3 . 1 1 5 5 LYS CA C 5 53.562 53.562 56.048 -2.486 19198 640 1 3 . 1 1 5 5 LYS CB C 5 30.595 30.595 31.515 -0.920 19198 641 1 3 . 1 1 5 5 LYS H H 5 8.223 8.223 8.057 0.166 19198 642 1 3 . 1 1 6 6 LEU N N 6 124.432 124.432 122.523 1.909 19198 643 1 3 . 1 1 6 6 LEU HA H 6 4.345 4.345 4.686 -0.341 19198 644 1 3 . 1 1 6 6 LEU CA C 6 52.051 52.051 54.075 -2.025 19198 645 1 3 . 1 1 6 6 LEU CB C 6 39.833 39.833 43.139 -3.306 19198 646 1 3 . 1 1 6 6 LEU H H 6 8.258 8.258 8.167 0.091 19198 647 1 3 . 1 1 7 7 MET N N 7 122.420 122.420 121.252 1.168 19198 648 1 3 . 1 1 7 7 MET HA H 7 4.529 4.529 4.602 -0.073 19198 649 1 3 . 1 1 7 7 MET CA C 7 52.288 52.288 54.557 -2.269 19198 650 1 3 . 1 1 7 7 MET CB C 7 30.827 30.827 32.833 -2.006 19198 651 1 3 . 1 1 7 7 MET H H 7 8.284 8.284 8.344 -0.060 19198 652 1 3 . 1 1 8 8 LYS N N 8 124.204 124.204 119.684 4.520 19198 653 1 3 . 1 1 8 8 LYS HA H 8 4.461 4.461 4.246 0.215 19198 654 1 3 . 1 1 8 8 LYS CA C 8 53.986 53.986 56.896 -2.910 19198 655 1 3 . 1 1 8 8 LYS CB C 8 31.771 31.771 32.877 -1.106 19198 656 1 3 . 1 1 8 8 LYS H H 8 9.420 9.420 8.545 0.875 19198 657 1 3 . 1 1 9 9 THR N N 9 113.488 113.488 107.331 6.157 19198 658 1 3 . 1 1 9 9 THR HA H 9 4.366 4.366 4.768 -0.402 19198 659 1 3 . 1 1 9 9 THR CA C 9 57.964 57.964 59.961 -1.997 19198 660 1 3 . 1 1 9 9 THR CB C 9 68.912 68.912 72.212 -3.300 19198 661 1 3 . 1 1 9 9 THR H H 9 8.817 8.817 8.006 0.811 19198 662 1 3 . 1 1 10 10 GLN N N 10 121.509 121.509 120.752 0.757 19198 663 1 3 . 1 1 10 10 GLN HA H 10 3.012 3.012 3.490 -0.478 19198 664 1 3 . 1 1 10 10 GLN CA C 10 57.666 57.666 59.849 -2.183 19198 665 1 3 . 1 1 10 10 GLN CB C 10 24.850 24.850 28.236 -3.386 19198 666 1 3 . 1 1 10 10 GLN H H 10 8.586 8.586 8.421 0.165 19198 667 1 3 . 1 1 11 11 GLU N N 11 121.406 121.406 119.429 1.977 19198 668 1 3 . 1 1 11 11 GLU HA H 11 3.801 3.801 3.907 -0.106 19198 669 1 3 . 1 1 11 11 GLU CA C 11 57.739 57.739 60.051 -2.312 19198 670 1 3 . 1 1 11 11 GLU CB C 11 26.332 26.332 29.088 -2.756 19198 671 1 3 . 1 1 11 11 GLU H H 11 8.998 8.998 8.433 0.565 19198 672 1 3 . 1 1 12 12 GLU N N 12 120.601 120.601 119.833 0.768 19198 673 1 3 . 1 1 12 12 GLU HA H 12 3.864 3.864 4.007 -0.143 19198 674 1 3 . 1 1 12 12 GLU CA C 12 56.542 56.542 59.480 -2.938 19198 675 1 3 . 1 1 12 12 GLU CB C 12 27.796 27.796 29.585 -1.790 19198 676 1 3 . 1 1 12 12 GLU H H 12 7.688 7.688 7.540 0.148 19198 677 1 3 . 1 1 13 13 LEU N N 13 117.867 117.867 118.738 -0.871 19198 678 1 3 . 1 1 13 13 LEU HA H 13 3.755 3.755 4.025 -0.270 19198 679 1 3 . 1 1 13 13 LEU CA C 13 54.855 54.855 57.983 -3.128 19198 680 1 3 . 1 1 13 13 LEU CB C 13 40.140 40.140 41.852 -1.712 19198 681 1 3 . 1 1 13 13 LEU H H 13 8.172 8.172 8.311 -0.139 19198 682 1 3 . 1 1 14 14 THR N N 14 115.136 115.136 115.416 -0.280 19198 683 1 3 . 1 1 14 14 THR HA H 14 3.256 3.256 3.982 -0.726 19198 684 1 3 . 1 1 14 14 THR CA C 14 64.768 64.768 67.342 -2.574 19198 685 1 3 . 1 1 14 14 THR CB C 14 65.545 65.545 68.212 -2.667 19198 686 1 3 . 1 1 14 14 THR H H 14 8.166 8.166 8.268 -0.102 19198 687 1 3 . 1 1 15 15 GLU N N 15 120.674 120.674 121.987 -1.313 19198 688 1 3 . 1 1 15 15 GLU HA H 15 3.857 3.857 4.040 -0.183 19198 689 1 3 . 1 1 15 15 GLU CA C 15 56.467 56.467 59.553 -3.086 19198 690 1 3 . 1 1 15 15 GLU CB C 15 26.370 26.370 29.214 -2.844 19198 691 1 3 . 1 1 15 15 GLU H H 15 7.504 7.504 8.273 -0.769 19198 692 1 3 . 1 1 16 16 ILE N N 16 119.946 119.946 119.809 0.137 19198 693 1 3 . 1 1 16 16 ILE HA H 16 3.602 3.602 3.585 0.017 19198 694 1 3 . 1 1 16 16 ILE CA C 16 62.428 62.428 65.350 -2.922 19198 695 1 3 . 1 1 16 16 ILE CB C 16 35.913 35.913 37.603 -1.690 19198 696 1 3 . 1 1 16 16 ILE H H 16 7.162 7.162 8.319 -1.157 19198 697 1 3 . 1 1 17 17 VAL N N 17 120.087 120.087 118.432 1.655 19198 698 1 3 . 1 1 17 17 VAL HA H 17 3.001 3.001 3.739 -0.738 19198 699 1 3 . 1 1 17 17 VAL CA C 17 64.706 64.706 66.314 -1.608 19198 700 1 3 . 1 1 17 17 VAL CB C 17 28.391 28.391 31.554 -3.163 19198 701 1 3 . 1 1 17 17 VAL H H 17 7.539 7.539 7.541 -0.002 19198 702 1 3 . 1 1 18 18 ARG N N 18 121.099 121.099 120.725 0.374 19198 703 1 3 . 1 1 18 18 ARG HA H 18 3.438 3.438 3.974 -0.536 19198 704 1 3 . 1 1 18 18 ARG CA C 18 57.834 57.834 59.795 -1.961 19198 705 1 3 . 1 1 18 18 ARG CB C 18 27.388 27.388 30.126 -2.738 19198 706 1 3 . 1 1 18 18 ARG H H 18 8.708 8.708 8.450 0.258 19198 707 1 3 . 1 1 19 19 ASP N N 19 118.955 118.955 116.957 1.998 19198 708 1 3 . 1 1 19 19 ASP HA H 19 4.215 4.215 4.514 -0.299 19198 709 1 3 . 1 1 19 19 ASP CA C 19 54.604 54.604 56.457 -1.853 19198 710 1 3 . 1 1 19 19 ASP CB C 19 37.705 37.705 40.752 -3.047 19198 711 1 3 . 1 1 19 19 ASP H H 19 8.286 8.286 8.470 -0.184 19198 712 1 3 . 1 1 20 20 HIS N N 20 116.419 116.419 117.095 -0.676 19198 713 1 3 . 1 1 20 20 HIS HA H 20 4.147 4.147 4.509 -0.362 19198 714 1 3 . 1 1 20 20 HIS CA C 20 56.243 56.243 57.244 -1.001 19198 715 1 3 . 1 1 20 20 HIS CB C 20 26.196 26.196 31.197 -5.001 19198 716 1 3 . 1 1 20 20 HIS H H 20 7.532 7.532 7.685 -0.153 19198 717 1 3 . 1 1 21 21 PHE N N 21 116.347 116.347 119.908 -3.561 19198 718 1 3 . 1 1 21 21 PHE HA H 21 4.463 4.463 4.755 -0.292 19198 719 1 3 . 1 1 21 21 PHE CA C 21 58.279 58.279 57.460 0.819 19198 720 1 3 . 1 1 21 21 PHE CB C 21 36.780 36.780 40.354 -3.574 19198 721 1 3 . 1 1 21 21 PHE H H 21 7.983 7.983 8.166 -0.183 19198 722 1 3 . 1 1 22 22 SER N N 22 116.555 116.555 117.455 -0.900 19198 723 1 3 . 1 1 22 22 SER HA H 22 4.541 4.541 4.127 0.414 19198 724 1 3 . 1 1 22 22 SER CA C 22 59.013 59.013 62.010 -2.997 19198 725 1 3 . 1 1 22 22 SER CB C 22 60.225 60.225 62.795 -2.570 19198 726 1 3 . 1 1 22 22 SER H H 22 8.578 8.578 8.431 0.147 19198 727 1 3 . 1 1 23 23 ASP N N 23 118.564 118.564 119.193 -0.629 19198 728 1 3 . 1 1 23 23 ASP HA H 23 4.581 4.581 4.623 -0.042 19198 729 1 3 . 1 1 23 23 ASP CA C 23 52.796 52.796 55.782 -2.986 19198 730 1 3 . 1 1 23 23 ASP CB C 23 38.460 38.460 41.118 -2.658 19198 731 1 3 . 1 1 23 23 ASP H H 23 7.246 7.246 8.445 -1.199 19198 732 1 3 . 1 1 24 24 MET N N 24 116.378 116.378 119.232 -2.854 19198 733 1 3 . 1 1 24 24 MET HA H 24 4.207 4.207 4.709 -0.502 19198 734 1 3 . 1 1 24 24 MET CA C 24 53.696 53.696 54.703 -1.008 19198 735 1 3 . 1 1 24 24 MET CB C 24 32.101 32.101 33.510 -1.409 19198 736 1 3 . 1 1 24 24 MET H H 24 7.958 7.958 7.731 0.227 19198 737 1 3 . 1 1 25 25 GLY N N 25 107.470 107.470 108.227 -0.757 19198 738 1 3 . 1 1 25 25 GLY CA C 25 42.230 42.230 44.838 -2.608 19198 739 1 3 . 1 1 25 25 GLY H H 25 7.475 7.475 7.901 -0.426 19198 740 1 3 . 1 1 26 26 GLU N N 26 117.869 117.869 121.801 -3.932 19198 741 1 3 . 1 1 26 26 GLU HA H 26 4.452 4.452 4.427 0.025 19198 742 1 3 . 1 1 26 26 GLU CA C 26 52.851 52.851 54.453 -1.602 19198 743 1 3 . 1 1 26 26 GLU CB C 26 27.412 27.412 30.707 -3.295 19198 744 1 3 . 1 1 26 26 GLU H H 26 8.397 8.397 8.464 -0.067 19198 745 1 3 . 1 1 27 27 ILE N N 27 129.460 129.460 122.655 6.805 19198 746 1 3 . 1 1 27 27 ILE HA H 27 3.206 3.206 2.795 0.411 19198 747 1 3 . 1 1 27 27 ILE CA C 27 61.133 61.133 62.366 -1.233 19198 748 1 3 . 1 1 27 27 ILE CB C 27 36.987 36.987 37.603 -0.616 19198 749 1 3 . 1 1 27 27 ILE H H 27 8.980 8.980 8.055 0.925 19198 750 1 3 . 1 1 28 28 ALA N N 28 131.875 131.875 130.389 1.486 19198 751 1 3 . 1 1 28 28 ALA HA H 28 4.492 4.492 4.468 0.024 19198 752 1 3 . 1 1 28 28 ALA CA C 28 50.949 50.949 53.248 -2.299 19198 753 1 3 . 1 1 28 28 ALA CB C 28 17.101 17.101 20.444 -3.343 19198 754 1 3 . 1 1 28 28 ALA H H 28 9.208 9.208 8.790 0.418 19198 755 1 3 . 1 1 29 29 THR N N 29 112.070 112.070 115.905 -3.835 19198 756 1 3 . 1 1 29 29 THR HA H 29 4.346 4.346 4.486 -0.140 19198 757 1 3 . 1 1 29 29 THR CA C 29 58.963 58.963 62.014 -3.051 19198 758 1 3 . 1 1 29 29 THR CB C 29 69.475 69.475 69.809 -0.334 19198 759 1 3 . 1 1 29 29 THR H H 29 7.803 7.803 7.949 -0.146 19198 760 1 3 . 1 1 30 30 LEU N N 30 129.754 129.754 129.626 0.128 19198 761 1 3 . 1 1 30 30 LEU HA H 30 4.878 4.878 4.665 0.213 19198 762 1 3 . 1 1 30 30 LEU CA C 30 52.316 52.316 54.407 -2.091 19198 763 1 3 . 1 1 30 30 LEU CB C 30 42.195 42.195 43.579 -1.384 19198 764 1 3 . 1 1 30 30 LEU H H 30 8.388 8.388 8.751 -0.363 19198 765 1 3 . 1 1 31 31 TYR N N 31 124.642 124.642 125.754 -1.112 19198 766 1 3 . 1 1 31 31 TYR HA H 31 5.108 5.108 4.838 0.270 19198 767 1 3 . 1 1 31 31 TYR CA C 31 52.174 52.174 56.248 -4.074 19198 768 1 3 . 1 1 31 31 TYR CB C 31 38.406 38.406 39.905 -1.499 19198 769 1 3 . 1 1 31 31 TYR H H 31 8.837 8.837 8.668 0.169 19198 770 1 3 . 1 1 32 32 VAL N N 32 121.165 121.165 119.326 1.839 19198 771 1 3 . 1 1 32 32 VAL HA H 32 4.083 4.083 4.338 -0.255 19198 772 1 3 . 1 1 32 32 VAL CA C 32 59.645 59.645 61.340 -1.695 19198 773 1 3 . 1 1 32 32 VAL CB C 32 32.016 32.016 34.648 -2.632 19198 774 1 3 . 1 1 32 32 VAL H H 32 8.684 8.684 8.155 0.529 19198 775 1 3 . 1 1 33 33 GLN N N 33 126.911 126.911 126.664 0.247 19198 776 1 3 . 1 1 33 33 GLN HA H 33 4.462 4.462 4.214 0.248 19198 777 1 3 . 1 1 33 33 GLN CA C 33 54.266 54.266 56.812 -2.546 19198 778 1 3 . 1 1 33 33 GLN CB C 33 28.717 28.717 29.526 -0.809 19198 779 1 3 . 1 1 33 33 GLN H H 33 9.633 9.633 8.434 1.199 19198 780 1 3 . 1 1 34 34 VAL N N 34 117.041 117.041 113.821 3.220 19198 781 1 3 . 1 1 34 34 VAL HA H 34 4.313 4.313 4.388 -0.075 19198 782 1 3 . 1 1 34 34 VAL CA C 34 59.270 59.270 60.721 -1.450 19198 783 1 3 . 1 1 34 34 VAL CB C 34 33.725 33.725 33.096 0.629 19198 784 1 3 . 1 1 34 34 VAL H H 34 7.840 7.840 7.474 0.366 19198 785 1 3 . 1 1 35 35 TYR N N 35 128.263 128.263 128.223 0.040 19198 786 1 3 . 1 1 35 35 TYR HA H 35 5.415 5.415 4.929 0.486 19198 787 1 3 . 1 1 35 35 TYR CA C 35 52.594 52.594 55.023 -2.429 19198 788 1 3 . 1 1 35 35 TYR CB C 35 38.583 38.583 38.843 -0.259 19198 789 1 3 . 1 1 35 35 TYR H H 35 8.580 8.580 8.549 0.031 19198 790 1 3 . 1 1 36 36 GLU N N 36 129.574 129.574 128.778 0.796 19198 791 1 3 . 1 1 36 36 GLU HA H 36 4.403 4.403 4.321 0.083 19198 792 1 3 . 1 1 36 36 GLU CA C 36 51.421 51.421 54.986 -3.565 19198 793 1 3 . 1 1 36 36 GLU CB C 36 28.035 28.035 29.231 -1.196 19198 794 1 3 . 1 1 36 36 GLU H H 36 8.118 8.118 8.340 -0.222 19198 795 1 3 . 1 1 37 37 SER N N 37 121.805 121.805 120.725 1.080 19198 796 1 3 . 1 1 37 37 SER HA H 37 3.754 3.754 3.948 -0.194 19198 797 1 3 . 1 1 37 37 SER CA C 37 57.817 57.817 59.910 -2.093 19198 798 1 3 . 1 1 37 37 SER CB C 37 60.041 60.041 63.203 -3.162 19198 799 1 3 . 1 1 37 37 SER H H 37 8.312 8.312 8.083 0.229 19198 800 1 3 . 1 1 38 38 SER N N 38 116.337 116.337 114.017 2.320 19198 801 1 3 . 1 1 38 38 SER HA H 38 4.214 4.214 4.504 -0.290 19198 802 1 3 . 1 1 38 38 SER CA C 38 58.237 58.237 58.653 -0.416 19198 803 1 3 . 1 1 38 38 SER CB C 38 60.243 60.243 63.698 -3.455 19198 804 1 3 . 1 1 38 38 SER H H 38 8.389 8.389 8.304 0.085 19198 805 1 3 . 1 1 39 39 LEU N N 39 119.070 119.070 121.017 -1.947 19198 806 1 3 . 1 1 39 39 LEU HA H 39 4.414 4.414 4.462 -0.048 19198 807 1 3 . 1 1 39 39 LEU CA C 39 51.365 51.365 53.872 -2.507 19198 808 1 3 . 1 1 39 39 LEU CB C 39 40.504 40.504 43.084 -2.580 19198 809 1 3 . 1 1 39 39 LEU H H 39 6.905 6.905 7.386 -0.481 19198 810 1 3 . 1 1 40 40 GLU N N 40 118.837 118.837 119.355 -0.518 19198 811 1 3 . 1 1 40 40 GLU HA H 40 3.781 3.781 4.680 -0.899 19198 812 1 3 . 1 1 40 40 GLU CA C 40 54.621 54.621 55.718 -1.097 19198 813 1 3 . 1 1 40 40 GLU CB C 40 26.307 26.307 29.880 -3.573 19198 814 1 3 . 1 1 40 40 GLU H H 40 7.814 7.814 8.499 -0.685 19198 815 1 3 . 1 1 41 41 SER N N 41 110.546 110.546 117.739 -7.193 19198 816 1 3 . 1 1 41 41 SER HA H 41 5.730 5.730 5.556 0.174 19198 817 1 3 . 1 1 41 41 SER CA C 41 52.696 52.696 56.758 -4.062 19198 818 1 3 . 1 1 41 41 SER CB C 41 63.820 63.820 65.870 -2.050 19198 819 1 3 . 1 1 41 41 SER H H 41 7.452 7.452 8.558 -1.106 19198 820 1 3 . 1 1 42 42 LEU N N 42 124.649 124.649 127.942 -3.293 19198 821 1 3 . 1 1 42 42 LEU HA H 42 5.384 5.384 4.878 0.506 19198 822 1 3 . 1 1 42 42 LEU CA C 42 51.231 51.231 54.368 -3.138 19198 823 1 3 . 1 1 42 42 LEU CB C 42 46.451 46.451 44.637 1.814 19198 824 1 3 . 1 1 42 42 LEU H H 42 9.281 9.281 8.233 1.048 19198 825 1 3 . 1 1 43 43 VAL N N 43 125.093 125.093 123.243 1.850 19198 826 1 3 . 1 1 43 43 VAL HA H 43 4.629 4.629 5.305 -0.676 19198 827 1 3 . 1 1 43 43 VAL CA C 43 58.185 58.185 59.956 -1.771 19198 828 1 3 . 1 1 43 43 VAL CB C 43 33.136 33.136 35.438 -2.302 19198 829 1 3 . 1 1 43 43 VAL H H 43 8.849 8.849 7.822 1.027 19198 830 1 3 . 1 1 44 44 GLY N N 44 114.807 114.807 108.668 6.139 19198 831 1 3 . 1 1 44 44 GLY CA C 44 43.685 43.685 44.944 -1.259 19198 832 1 3 . 1 1 44 44 GLY H H 44 7.156 7.156 8.759 -1.603 19198 833 1 3 . 1 1 45 45 GLY N N 45 117.443 117.443 108.739 8.704 19198 834 1 3 . 1 1 45 45 GLY CA C 45 43.268 43.268 45.863 -2.595 19198 835 1 3 . 1 1 45 45 GLY H H 45 8.582 8.582 7.659 0.923 19198 836 1 3 . 1 1 46 46 VAL N N 46 117.075 117.075 114.597 2.478 19198 837 1 3 . 1 1 46 46 VAL HA H 46 4.726 4.726 5.157 -0.431 19198 838 1 3 . 1 1 46 46 VAL CA C 46 56.843 56.843 59.107 -2.264 19198 839 1 3 . 1 1 46 46 VAL CB C 46 33.568 33.568 35.017 -1.450 19198 840 1 3 . 1 1 46 46 VAL H H 46 8.875 8.875 8.564 0.311 19198 841 1 3 . 1 1 47 47 ILE N N 47 125.899 125.899 121.918 3.981 19198 842 1 3 . 1 1 47 47 ILE HA H 47 4.778 4.778 4.337 0.441 19198 843 1 3 . 1 1 47 47 ILE CB C 47 37.664 37.664 40.001 -2.337 19198 844 1 3 . 1 1 47 47 ILE H H 47 8.765 8.765 8.394 0.371 19198 845 1 3 . 1 1 48 48 PHE N N 48 126.624 126.624 124.683 1.941 19198 846 1 3 . 1 1 48 48 PHE HA H 48 4.777 4.777 5.029 -0.252 19198 847 1 3 . 1 1 48 48 PHE CA C 48 56.162 56.162 56.165 -0.003 19198 848 1 3 . 1 1 48 48 PHE CB C 48 38.742 38.742 41.402 -2.660 19198 849 1 3 . 1 1 48 48 PHE H H 48 9.269 9.269 8.192 1.077 19198 850 1 3 . 1 1 49 49 GLU N N 49 123.550 123.550 121.255 2.295 19198 851 1 3 . 1 1 49 49 GLU HA H 49 4.021 4.021 4.104 -0.083 19198 852 1 3 . 1 1 49 49 GLU CA C 49 56.574 56.574 59.485 -2.911 19198 853 1 3 . 1 1 49 49 GLU CB C 49 26.939 26.939 29.863 -2.924 19198 854 1 3 . 1 1 49 49 GLU H H 49 9.331 9.331 8.420 0.911 19198 855 1 3 . 1 1 50 50 ASP N N 50 113.383 113.383 117.530 -4.147 19198 856 1 3 . 1 1 50 50 ASP HA H 50 4.443 4.443 4.727 -0.284 19198 857 1 3 . 1 1 50 50 ASP CA C 50 51.307 51.307 53.930 -2.623 19198 858 1 3 . 1 1 50 50 ASP CB C 50 38.062 38.062 40.455 -2.393 19198 859 1 3 . 1 1 50 50 ASP H H 50 7.674 7.674 8.290 -0.616 19198 860 1 3 . 1 1 51 51 GLY N N 51 107.745 107.745 108.140 -0.395 19198 861 1 3 . 1 1 51 51 GLY CA C 51 42.245 42.245 45.289 -3.044 19198 862 1 3 . 1 1 51 51 GLY H H 51 7.884 7.884 7.816 0.068 19198 863 1 3 . 1 1 52 52 ARG N N 52 120.713 120.713 119.597 1.116 19198 864 1 3 . 1 1 52 52 ARG HA H 52 4.292 4.292 4.205 0.087 19198 865 1 3 . 1 1 52 52 ARG CA C 52 55.314 55.314 54.022 1.292 19198 866 1 3 . 1 1 52 52 ARG CB C 52 29.759 29.759 30.744 -0.985 19198 867 1 3 . 1 1 52 52 ARG H H 52 7.880 7.880 7.482 0.398 19198 868 1 3 . 1 1 53 53 HIS N N 53 120.216 120.216 123.756 -3.540 19198 869 1 3 . 1 1 53 53 HIS HA H 53 5.671 5.671 4.893 0.778 19198 870 1 3 . 1 1 53 53 HIS CA C 53 50.579 50.579 54.444 -3.865 19198 871 1 3 . 1 1 53 53 HIS CB C 53 29.165 29.165 31.374 -2.209 19198 872 1 3 . 1 1 53 53 HIS H H 53 8.961 8.961 8.306 0.655 19198 873 1 3 . 1 1 54 54 TYR N N 54 121.480 121.480 127.871 -6.391 19198 874 1 3 . 1 1 54 54 TYR HA H 54 5.574 5.574 4.827 0.747 19198 875 1 3 . 1 1 54 54 TYR CA C 54 53.397 53.397 56.686 -3.289 19198 876 1 3 . 1 1 54 54 TYR CB C 54 39.788 39.788 42.420 -2.632 19198 877 1 3 . 1 1 54 54 TYR H H 54 9.259 9.259 9.396 -0.137 19198 878 1 3 . 1 1 55 55 THR N N 55 113.818 113.818 118.605 -4.787 19198 879 1 3 . 1 1 55 55 THR HA H 55 5.013 5.013 4.609 0.404 19198 880 1 3 . 1 1 55 55 THR CA C 55 57.994 57.994 61.518 -3.524 19198 881 1 3 . 1 1 55 55 THR CB C 55 67.733 67.733 67.683 0.050 19198 882 1 3 . 1 1 55 55 THR H H 55 9.242 9.242 8.883 0.359 19198 883 1 3 . 1 1 56 56 PHE HA H 56 5.987 5.987 4.805 1.182 19198 884 1 3 . 1 1 56 56 PHE CA C 56 53.946 53.946 59.136 -5.190 19198 885 1 3 . 1 1 56 56 PHE CB C 56 42.416 42.416 39.628 2.788 19198 886 1 3 . 1 1 57 57 VAL N N 57 120.407 120.407 125.228 -4.821 19198 887 1 3 . 1 1 57 57 VAL HA H 57 4.683 4.683 4.983 -0.300 19198 888 1 3 . 1 1 57 57 VAL CA C 57 59.696 59.696 60.177 -0.481 19198 889 1 3 . 1 1 57 57 VAL CB C 57 33.227 33.227 34.519 -1.292 19198 890 1 3 . 1 1 57 57 VAL H H 57 9.076 9.076 8.744 0.332 19198 891 1 3 . 1 1 58 58 TYR N N 58 131.325 131.325 130.695 0.630 19198 892 1 3 . 1 1 58 58 TYR HA H 58 5.504 5.504 5.222 0.282 19198 893 1 3 . 1 1 58 58 TYR CA C 58 53.883 53.883 55.670 -1.787 19198 894 1 3 . 1 1 58 58 TYR CB C 58 38.558 38.558 40.313 -1.755 19198 895 1 3 . 1 1 58 58 TYR H H 58 9.821 9.821 8.868 0.953 19198 896 1 3 . 1 1 59 59 GLU N N 59 123.904 123.904 128.153 -4.249 19198 897 1 3 . 1 1 59 59 GLU HA H 59 4.519 4.519 4.578 -0.059 19198 898 1 3 . 1 1 59 59 GLU CA C 59 52.718 52.718 54.547 -1.829 19198 899 1 3 . 1 1 59 59 GLU CB C 59 29.084 29.084 30.895 -1.811 19198 900 1 3 . 1 1 59 59 GLU H H 59 8.182 8.182 8.804 -0.622 19198 901 1 3 . 1 1 60 60 ASN N N 60 123.227 123.227 125.754 -2.527 19198 902 1 3 . 1 1 60 60 ASN HA H 60 4.247 4.247 4.093 0.154 19198 903 1 3 . 1 1 60 60 ASN CA C 60 51.876 51.876 56.263 -4.387 19198 904 1 3 . 1 1 60 60 ASN CB C 60 34.949 34.949 37.701 -2.752 19198 905 1 3 . 1 1 60 60 ASN H H 60 9.566 9.566 8.692 0.874 19198 906 1 3 . 1 1 61 61 GLU N N 61 107.647 107.647 114.689 -7.042 19198 907 1 3 . 1 1 61 61 GLU HA H 61 3.500 3.500 4.282 -0.782 19198 908 1 3 . 1 1 61 61 GLU CA C 61 54.765 54.765 55.758 -0.993 19198 909 1 3 . 1 1 61 61 GLU CB C 61 25.167 25.167 32.115 -6.948 19198 910 1 3 . 1 1 61 61 GLU H H 61 8.387 8.387 8.125 0.262 19198 911 1 3 . 1 1 62 62 ASP N N 62 119.350 119.350 122.134 -2.784 19198 912 1 3 . 1 1 62 62 ASP HA H 62 4.724 4.724 4.780 -0.056 19198 913 1 3 . 1 1 62 62 ASP CB C 62 41.251 41.251 43.001 -1.750 19198 914 1 3 . 1 1 62 62 ASP H H 62 7.314 7.314 8.062 -0.748 19198 915 1 3 . 1 1 63 63 LEU N N 63 123.998 123.998 123.667 0.331 19198 916 1 3 . 1 1 63 63 LEU HA H 63 5.037 5.037 5.316 -0.279 19198 917 1 3 . 1 1 63 63 LEU CA C 63 51.075 51.075 53.708 -2.633 19198 918 1 3 . 1 1 63 63 LEU CB C 63 42.312 42.312 44.407 -2.095 19198 919 1 3 . 1 1 63 63 LEU H H 63 8.226 8.226 8.458 -0.232 19198 920 1 3 . 1 1 64 64 VAL N N 64 127.167 127.167 125.665 1.502 19198 921 1 3 . 1 1 64 64 VAL HA H 64 4.361 4.361 4.414 -0.053 19198 922 1 3 . 1 1 64 64 VAL CA C 64 58.470 58.470 60.944 -2.474 19198 923 1 3 . 1 1 64 64 VAL CB C 64 31.939 31.939 35.836 -3.897 19198 924 1 3 . 1 1 64 64 VAL H H 64 8.915 8.915 8.473 0.442 19198 925 1 3 . 1 1 65 65 TYR N N 65 121.421 121.421 119.326 2.095 19198 926 1 3 . 1 1 65 65 TYR HA H 65 5.893 5.893 5.638 0.255 19198 927 1 3 . 1 1 65 65 TYR CA C 65 53.115 53.115 56.376 -3.261 19198 928 1 3 . 1 1 65 65 TYR CB C 65 39.948 39.948 40.789 -0.841 19198 929 1 3 . 1 1 65 65 TYR H H 65 8.207 8.207 7.958 0.249 19198 930 1 3 . 1 1 66 66 GLU N N 66 117.842 117.842 120.005 -2.163 19198 931 1 3 . 1 1 66 66 GLU HA H 66 4.793 4.793 4.853 -0.060 19198 932 1 3 . 1 1 66 66 GLU CB C 66 30.949 30.949 32.712 -1.762 19198 933 1 3 . 1 1 66 66 GLU H H 66 8.875 8.875 9.176 -0.301 19198 934 1 3 . 1 1 67 67 GLU N N 67 125.220 125.220 117.642 7.578 19198 935 1 3 . 1 1 67 67 GLU HA H 67 4.084 4.084 4.705 -0.621 19198 936 1 3 . 1 1 67 67 GLU CA C 67 54.157 54.157 55.633 -1.476 19198 937 1 3 . 1 1 67 67 GLU CB C 67 27.697 27.697 32.583 -4.886 19198 938 1 3 . 1 1 67 67 GLU H H 67 9.033 9.033 8.487 0.546 19198 939 1 3 . 1 1 68 68 GLU N N 68 127.058 127.058 122.924 4.134 19198 940 1 3 . 1 1 68 68 GLU HA H 68 4.358 4.358 4.495 -0.137 19198 941 1 3 . 1 1 68 68 GLU CA C 68 53.193 53.193 55.278 -2.085 19198 942 1 3 . 1 1 68 68 GLU CB C 68 28.405 28.405 30.020 -1.615 19198 943 1 3 . 1 1 68 68 GLU H H 68 8.546 8.546 8.284 0.262 19198 944 1 3 . 1 1 69 69 VAL N N 69 125.782 125.782 125.552 0.230 19198 945 1 3 . 1 1 69 69 VAL HA H 69 4.046 4.046 4.315 -0.269 19198 946 1 3 . 1 1 69 69 VAL CA C 69 59.775 59.775 61.229 -1.454 19198 947 1 3 . 1 1 69 69 VAL CB C 69 30.174 30.174 31.712 -1.538 19198 948 1 3 . 1 1 69 69 VAL H H 69 8.422 8.422 8.506 -0.084 19198 949 1 4 . 1 1 3 3 ASP N N 3 120.996 120.996 119.842 1.154 19198 950 1 4 . 1 1 3 3 ASP H H 3 8.416 8.416 8.677 -0.261 19198 951 1 4 . 1 1 4 4 ARG N N 4 120.957 120.957 118.237 2.720 19198 952 1 4 . 1 1 4 4 ARG H H 4 8.187 8.187 8.388 -0.201 19198 953 1 4 . 1 1 5 5 LYS N N 5 122.746 122.746 121.152 1.594 19198 954 1 4 . 1 1 5 5 LYS HA H 5 4.209 4.209 4.441 -0.232 19198 955 1 4 . 1 1 5 5 LYS CA C 5 53.562 53.562 56.063 -2.501 19198 956 1 4 . 1 1 5 5 LYS CB C 5 30.595 30.595 33.081 -2.486 19198 957 1 4 . 1 1 5 5 LYS H H 5 8.223 8.223 8.153 0.070 19198 958 1 4 . 1 1 6 6 LEU N N 6 124.432 124.432 116.072 8.360 19198 959 1 4 . 1 1 6 6 LEU HA H 6 4.345 4.345 4.646 -0.301 19198 960 1 4 . 1 1 6 6 LEU CA C 6 52.051 52.051 53.929 -1.878 19198 961 1 4 . 1 1 6 6 LEU CB C 6 39.833 39.833 43.246 -3.413 19198 962 1 4 . 1 1 6 6 LEU H H 6 8.258 8.258 8.362 -0.104 19198 963 1 4 . 1 1 7 7 MET N N 7 122.420 122.420 119.612 2.808 19198 964 1 4 . 1 1 7 7 MET HA H 7 4.529 4.529 4.659 -0.130 19198 965 1 4 . 1 1 7 7 MET CA C 7 52.288 52.288 53.837 -1.550 19198 966 1 4 . 1 1 7 7 MET CB C 7 30.827 30.827 32.933 -2.106 19198 967 1 4 . 1 1 7 7 MET H H 7 8.284 8.284 8.302 -0.018 19198 968 1 4 . 1 1 8 8 LYS N N 8 124.204 124.204 121.872 2.332 19198 969 1 4 . 1 1 8 8 LYS HA H 8 4.461 4.461 4.254 0.207 19198 970 1 4 . 1 1 8 8 LYS CA C 8 53.986 53.986 56.768 -2.782 19198 971 1 4 . 1 1 8 8 LYS CB C 8 31.771 31.771 32.899 -1.128 19198 972 1 4 . 1 1 8 8 LYS H H 8 9.420 9.420 8.552 0.868 19198 973 1 4 . 1 1 9 9 THR N N 9 113.488 113.488 116.209 -2.721 19198 974 1 4 . 1 1 9 9 THR HA H 9 4.366 4.366 4.494 -0.128 19198 975 1 4 . 1 1 9 9 THR CA C 9 57.964 57.964 61.544 -3.580 19198 976 1 4 . 1 1 9 9 THR CB C 9 68.912 68.912 70.548 -1.636 19198 977 1 4 . 1 1 9 9 THR H H 9 8.817 8.817 8.481 0.336 19198 978 1 4 . 1 1 10 10 GLN N N 10 121.509 121.509 121.399 0.110 19198 979 1 4 . 1 1 10 10 GLN HA H 10 3.012 3.012 3.563 -0.551 19198 980 1 4 . 1 1 10 10 GLN CA C 10 57.666 57.666 59.771 -2.105 19198 981 1 4 . 1 1 10 10 GLN CB C 10 24.850 24.850 27.735 -2.885 19198 982 1 4 . 1 1 10 10 GLN H H 10 8.586 8.586 8.757 -0.171 19198 983 1 4 . 1 1 11 11 GLU N N 11 121.406 121.406 118.612 2.794 19198 984 1 4 . 1 1 11 11 GLU HA H 11 3.801 3.801 3.952 -0.151 19198 985 1 4 . 1 1 11 11 GLU CA C 11 57.739 57.739 59.919 -2.180 19198 986 1 4 . 1 1 11 11 GLU CB C 11 26.332 26.332 29.191 -2.859 19198 987 1 4 . 1 1 11 11 GLU H H 11 8.998 8.998 8.714 0.284 19198 988 1 4 . 1 1 12 12 GLU N N 12 120.601 120.601 119.666 0.935 19198 989 1 4 . 1 1 12 12 GLU HA H 12 3.864 3.864 4.013 -0.149 19198 990 1 4 . 1 1 12 12 GLU CA C 12 56.542 56.542 59.348 -2.806 19198 991 1 4 . 1 1 12 12 GLU CB C 12 27.796 27.796 29.694 -1.897 19198 992 1 4 . 1 1 12 12 GLU H H 12 7.688 7.688 7.633 0.055 19198 993 1 4 . 1 1 13 13 LEU N N 13 117.867 117.867 119.314 -1.447 19198 994 1 4 . 1 1 13 13 LEU HA H 13 3.755 3.755 4.002 -0.247 19198 995 1 4 . 1 1 13 13 LEU CA C 13 54.855 54.855 58.266 -3.411 19198 996 1 4 . 1 1 13 13 LEU CB C 13 40.140 40.140 41.811 -1.671 19198 997 1 4 . 1 1 13 13 LEU H H 13 8.172 8.172 8.193 -0.021 19198 998 1 4 . 1 1 14 14 THR N N 14 115.136 115.136 115.784 -0.648 19198 999 1 4 . 1 1 14 14 THR HA H 14 3.256 3.256 3.977 -0.721 19198 1000 1 4 . 1 1 14 14 THR CA C 14 64.768 64.768 66.916 -2.148 19198 1001 1 4 . 1 1 14 14 THR CB C 14 65.545 65.545 68.258 -2.713 19198 1002 1 4 . 1 1 14 14 THR H H 14 8.166 8.166 8.231 -0.065 19198 1003 1 4 . 1 1 15 15 GLU N N 15 120.674 120.674 121.865 -1.191 19198 1004 1 4 . 1 1 15 15 GLU HA H 15 3.857 3.857 4.012 -0.155 19198 1005 1 4 . 1 1 15 15 GLU CA C 15 56.467 56.467 59.793 -3.326 19198 1006 1 4 . 1 1 15 15 GLU CB C 15 26.370 26.370 29.354 -2.984 19198 1007 1 4 . 1 1 15 15 GLU H H 15 7.504 7.504 8.250 -0.746 19198 1008 1 4 . 1 1 16 16 ILE N N 16 119.946 119.946 120.051 -0.105 19198 1009 1 4 . 1 1 16 16 ILE HA H 16 3.602 3.602 3.445 0.157 19198 1010 1 4 . 1 1 16 16 ILE CA C 16 62.428 62.428 65.517 -3.090 19198 1011 1 4 . 1 1 16 16 ILE CB C 16 35.913 35.913 37.615 -1.702 19198 1012 1 4 . 1 1 16 16 ILE H H 16 7.162 7.162 8.378 -1.216 19198 1013 1 4 . 1 1 17 17 VAL N N 17 120.087 120.087 118.339 1.748 19198 1014 1 4 . 1 1 17 17 VAL HA H 17 3.001 3.001 3.458 -0.457 19198 1015 1 4 . 1 1 17 17 VAL CA C 17 64.706 64.706 66.475 -1.769 19198 1016 1 4 . 1 1 17 17 VAL CB C 17 28.391 28.391 31.543 -3.152 19198 1017 1 4 . 1 1 17 17 VAL H H 17 7.539 7.539 7.385 0.154 19198 1018 1 4 . 1 1 18 18 ARG N N 18 121.099 121.099 120.413 0.686 19198 1019 1 4 . 1 1 18 18 ARG HA H 18 3.438 3.438 4.055 -0.617 19198 1020 1 4 . 1 1 18 18 ARG CA C 18 57.834 57.834 59.928 -2.094 19198 1021 1 4 . 1 1 18 18 ARG CB C 18 27.388 27.388 30.228 -2.840 19198 1022 1 4 . 1 1 18 18 ARG H H 18 8.708 8.708 8.187 0.521 19198 1023 1 4 . 1 1 19 19 ASP N N 19 118.955 118.955 116.447 2.508 19198 1024 1 4 . 1 1 19 19 ASP HA H 19 4.215 4.215 4.507 -0.292 19198 1025 1 4 . 1 1 19 19 ASP CA C 19 54.604 54.604 56.290 -1.686 19198 1026 1 4 . 1 1 19 19 ASP CB C 19 37.705 37.705 40.821 -3.116 19198 1027 1 4 . 1 1 19 19 ASP H H 19 8.286 8.286 8.519 -0.233 19198 1028 1 4 . 1 1 20 20 HIS N N 20 116.419 116.419 118.837 -2.418 19198 1029 1 4 . 1 1 20 20 HIS HA H 20 4.147 4.147 4.390 -0.243 19198 1030 1 4 . 1 1 20 20 HIS CA C 20 56.243 56.243 57.278 -1.035 19198 1031 1 4 . 1 1 20 20 HIS CB C 20 26.196 26.196 29.856 -3.660 19198 1032 1 4 . 1 1 20 20 HIS H H 20 7.532 7.532 7.555 -0.023 19198 1033 1 4 . 1 1 21 21 PHE N N 21 116.347 116.347 120.890 -4.543 19198 1034 1 4 . 1 1 21 21 PHE HA H 21 4.463 4.463 4.571 -0.108 19198 1035 1 4 . 1 1 21 21 PHE CA C 21 58.279 58.279 58.342 -0.063 19198 1036 1 4 . 1 1 21 21 PHE CB C 21 36.780 36.780 38.646 -1.866 19198 1037 1 4 . 1 1 21 21 PHE H H 21 7.983 7.983 8.074 -0.091 19198 1038 1 4 . 1 1 22 22 SER N N 22 116.555 116.555 116.671 -0.116 19198 1039 1 4 . 1 1 22 22 SER HA H 22 4.541 4.541 4.243 0.298 19198 1040 1 4 . 1 1 22 22 SER CA C 22 59.013 59.013 61.312 -2.299 19198 1041 1 4 . 1 1 22 22 SER CB C 22 60.225 60.225 62.871 -2.646 19198 1042 1 4 . 1 1 22 22 SER H H 22 8.578 8.578 8.769 -0.191 19198 1043 1 4 . 1 1 23 23 ASP N N 23 118.564 118.564 122.073 -3.509 19198 1044 1 4 . 1 1 23 23 ASP HA H 23 4.581 4.581 4.809 -0.228 19198 1045 1 4 . 1 1 23 23 ASP CA C 23 52.796 52.796 56.007 -3.211 19198 1046 1 4 . 1 1 23 23 ASP CB C 23 38.460 38.460 41.050 -2.590 19198 1047 1 4 . 1 1 23 23 ASP H H 23 7.246 7.246 8.105 -0.859 19198 1048 1 4 . 1 1 24 24 MET N N 24 116.378 116.378 117.223 -0.845 19198 1049 1 4 . 1 1 24 24 MET HA H 24 4.207 4.207 4.744 -0.537 19198 1050 1 4 . 1 1 24 24 MET CA C 24 53.696 53.696 55.735 -2.039 19198 1051 1 4 . 1 1 24 24 MET CB C 24 32.101 32.101 33.883 -1.782 19198 1052 1 4 . 1 1 24 24 MET H H 24 7.958 7.958 7.954 0.004 19198 1053 1 4 . 1 1 25 25 GLY N N 25 107.470 107.470 109.358 -1.888 19198 1054 1 4 . 1 1 25 25 GLY CA C 25 42.230 42.230 44.987 -2.757 19198 1055 1 4 . 1 1 25 25 GLY H H 25 7.475 7.475 7.524 -0.050 19198 1056 1 4 . 1 1 26 26 GLU N N 26 117.869 117.869 121.135 -3.266 19198 1057 1 4 . 1 1 26 26 GLU HA H 26 4.452 4.452 4.354 0.098 19198 1058 1 4 . 1 1 26 26 GLU CA C 26 52.851 52.851 54.675 -1.824 19198 1059 1 4 . 1 1 26 26 GLU CB C 26 27.412 27.412 30.354 -2.942 19198 1060 1 4 . 1 1 26 26 GLU H H 26 8.397 8.397 8.253 0.144 19198 1061 1 4 . 1 1 27 27 ILE N N 27 129.460 129.460 123.453 6.007 19198 1062 1 4 . 1 1 27 27 ILE HA H 27 3.206 3.206 2.952 0.254 19198 1063 1 4 . 1 1 27 27 ILE CA C 27 61.133 61.133 62.102 -0.969 19198 1064 1 4 . 1 1 27 27 ILE CB C 27 36.987 36.987 37.464 -0.477 19198 1065 1 4 . 1 1 27 27 ILE H H 27 8.980 8.980 8.198 0.782 19198 1066 1 4 . 1 1 28 28 ALA N N 28 131.875 131.875 131.328 0.547 19198 1067 1 4 . 1 1 28 28 ALA HA H 28 4.492 4.492 4.122 0.370 19198 1068 1 4 . 1 1 28 28 ALA CA C 28 50.949 50.949 53.525 -2.576 19198 1069 1 4 . 1 1 28 28 ALA CB C 28 17.101 17.101 19.598 -2.497 19198 1070 1 4 . 1 1 28 28 ALA H H 28 9.208 9.208 8.656 0.552 19198 1071 1 4 . 1 1 29 29 THR N N 29 112.070 112.070 114.462 -2.392 19198 1072 1 4 . 1 1 29 29 THR HA H 29 4.346 4.346 4.496 -0.150 19198 1073 1 4 . 1 1 29 29 THR CA C 29 58.963 58.963 61.817 -2.854 19198 1074 1 4 . 1 1 29 29 THR CB C 29 69.475 69.475 70.758 -1.284 19198 1075 1 4 . 1 1 29 29 THR H H 29 7.803 7.803 7.842 -0.039 19198 1076 1 4 . 1 1 30 30 LEU N N 30 129.754 129.754 128.852 0.902 19198 1077 1 4 . 1 1 30 30 LEU HA H 30 4.878 4.878 4.730 0.148 19198 1078 1 4 . 1 1 30 30 LEU CA C 30 52.316 52.316 54.506 -2.190 19198 1079 1 4 . 1 1 30 30 LEU CB C 30 42.195 42.195 44.006 -1.811 19198 1080 1 4 . 1 1 30 30 LEU H H 30 8.388 8.388 8.709 -0.321 19198 1081 1 4 . 1 1 31 31 TYR N N 31 124.642 124.642 125.908 -1.266 19198 1082 1 4 . 1 1 31 31 TYR HA H 31 5.108 5.108 4.850 0.258 19198 1083 1 4 . 1 1 31 31 TYR CA C 31 52.174 52.174 56.127 -3.953 19198 1084 1 4 . 1 1 31 31 TYR CB C 31 38.406 38.406 39.649 -1.243 19198 1085 1 4 . 1 1 31 31 TYR H H 31 8.837 8.837 8.740 0.097 19198 1086 1 4 . 1 1 32 32 VAL N N 32 121.165 121.165 119.446 1.719 19198 1087 1 4 . 1 1 32 32 VAL HA H 32 4.083 4.083 4.415 -0.332 19198 1088 1 4 . 1 1 32 32 VAL CA C 32 59.645 59.645 61.240 -1.595 19198 1089 1 4 . 1 1 32 32 VAL CB C 32 32.016 32.016 34.534 -2.518 19198 1090 1 4 . 1 1 32 32 VAL H H 32 8.684 8.684 8.152 0.532 19198 1091 1 4 . 1 1 33 33 GLN N N 33 126.911 126.911 125.728 1.183 19198 1092 1 4 . 1 1 33 33 GLN HA H 33 4.462 4.462 4.322 0.140 19198 1093 1 4 . 1 1 33 33 GLN CA C 33 54.266 54.266 56.145 -1.879 19198 1094 1 4 . 1 1 33 33 GLN CB C 33 28.717 28.717 30.237 -1.520 19198 1095 1 4 . 1 1 33 33 GLN H H 33 9.633 9.633 8.538 1.095 19198 1096 1 4 . 1 1 34 34 VAL N N 34 117.041 117.041 117.548 -0.507 19198 1097 1 4 . 1 1 34 34 VAL HA H 34 4.313 4.313 4.253 0.060 19198 1098 1 4 . 1 1 34 34 VAL CA C 34 59.270 59.270 62.096 -2.826 19198 1099 1 4 . 1 1 34 34 VAL CB C 34 33.725 33.725 34.080 -0.355 19198 1100 1 4 . 1 1 34 34 VAL H H 34 7.840 7.840 7.435 0.405 19198 1101 1 4 . 1 1 35 35 TYR N N 35 128.263 128.263 129.360 -1.097 19198 1102 1 4 . 1 1 35 35 TYR HA H 35 5.415 5.415 5.073 0.342 19198 1103 1 4 . 1 1 35 35 TYR CA C 35 52.594 52.594 55.961 -3.367 19198 1104 1 4 . 1 1 35 35 TYR CB C 35 38.583 38.583 40.175 -1.592 19198 1105 1 4 . 1 1 35 35 TYR H H 35 8.580 8.580 8.537 0.043 19198 1106 1 4 . 1 1 36 36 GLU N N 36 129.574 129.574 128.505 1.069 19198 1107 1 4 . 1 1 36 36 GLU HA H 36 4.403 4.403 4.332 0.071 19198 1108 1 4 . 1 1 36 36 GLU CA C 36 51.421 51.421 54.746 -3.325 19198 1109 1 4 . 1 1 36 36 GLU CB C 36 28.035 28.035 28.608 -0.573 19198 1110 1 4 . 1 1 36 36 GLU H H 36 8.118 8.118 8.433 -0.315 19198 1111 1 4 . 1 1 37 37 SER N N 37 121.805 121.805 119.332 2.473 19198 1112 1 4 . 1 1 37 37 SER HA H 37 3.754 3.754 3.928 -0.174 19198 1113 1 4 . 1 1 37 37 SER CA C 37 57.817 57.817 59.359 -1.542 19198 1114 1 4 . 1 1 37 37 SER CB C 37 60.041 60.041 63.127 -3.086 19198 1115 1 4 . 1 1 37 37 SER H H 37 8.312 8.312 8.154 0.158 19198 1116 1 4 . 1 1 38 38 SER N N 38 116.337 116.337 113.081 3.256 19198 1117 1 4 . 1 1 38 38 SER HA H 38 4.214 4.214 4.521 -0.307 19198 1118 1 4 . 1 1 38 38 SER CA C 38 58.237 58.237 57.918 0.319 19198 1119 1 4 . 1 1 38 38 SER CB C 38 60.243 60.243 63.167 -2.924 19198 1120 1 4 . 1 1 38 38 SER H H 38 8.389 8.389 7.824 0.565 19198 1121 1 4 . 1 1 39 39 LEU N N 39 119.070 119.070 120.209 -1.139 19198 1122 1 4 . 1 1 39 39 LEU HA H 39 4.414 4.414 4.588 -0.174 19198 1123 1 4 . 1 1 39 39 LEU CA C 39 51.365 51.365 53.841 -2.476 19198 1124 1 4 . 1 1 39 39 LEU CB C 39 40.504 40.504 44.204 -3.700 19198 1125 1 4 . 1 1 39 39 LEU H H 39 6.905 6.905 7.272 -0.367 19198 1126 1 4 . 1 1 40 40 GLU N N 40 118.837 118.837 119.854 -1.017 19198 1127 1 4 . 1 1 40 40 GLU HA H 40 3.781 3.781 4.557 -0.776 19198 1128 1 4 . 1 1 40 40 GLU CA C 40 54.621 54.621 55.770 -1.149 19198 1129 1 4 . 1 1 40 40 GLU CB C 40 26.307 26.307 29.979 -3.672 19198 1130 1 4 . 1 1 40 40 GLU H H 40 7.814 7.814 8.439 -0.625 19198 1131 1 4 . 1 1 41 41 SER N N 41 110.546 110.546 117.298 -6.752 19198 1132 1 4 . 1 1 41 41 SER HA H 41 5.730 5.730 5.459 0.271 19198 1133 1 4 . 1 1 41 41 SER CA C 41 52.696 52.696 56.999 -4.303 19198 1134 1 4 . 1 1 41 41 SER CB C 41 63.820 63.820 65.512 -1.692 19198 1135 1 4 . 1 1 41 41 SER H H 41 7.452 7.452 8.295 -0.843 19198 1136 1 4 . 1 1 42 42 LEU N N 42 124.649 124.649 127.774 -3.125 19198 1137 1 4 . 1 1 42 42 LEU HA H 42 5.384 5.384 4.877 0.507 19198 1138 1 4 . 1 1 42 42 LEU CA C 42 51.231 51.231 54.083 -2.852 19198 1139 1 4 . 1 1 42 42 LEU CB C 42 46.451 46.451 44.621 1.829 19198 1140 1 4 . 1 1 42 42 LEU H H 42 9.281 9.281 8.727 0.554 19198 1141 1 4 . 1 1 43 43 VAL N N 43 125.093 125.093 123.590 1.503 19198 1142 1 4 . 1 1 43 43 VAL HA H 43 4.629 4.629 5.334 -0.705 19198 1143 1 4 . 1 1 43 43 VAL CA C 43 58.185 58.185 59.921 -1.736 19198 1144 1 4 . 1 1 43 43 VAL CB C 43 33.136 33.136 35.406 -2.270 19198 1145 1 4 . 1 1 43 43 VAL H H 43 8.849 8.849 7.849 1.000 19198 1146 1 4 . 1 1 44 44 GLY N N 44 114.807 114.807 109.733 5.074 19198 1147 1 4 . 1 1 44 44 GLY CA C 44 43.685 43.685 45.107 -1.422 19198 1148 1 4 . 1 1 44 44 GLY H H 44 7.156 7.156 8.541 -1.385 19198 1149 1 4 . 1 1 45 45 GLY N N 45 117.443 117.443 108.241 9.202 19198 1150 1 4 . 1 1 45 45 GLY CA C 45 43.268 43.268 45.508 -2.240 19198 1151 1 4 . 1 1 45 45 GLY H H 45 8.582 8.582 7.679 0.903 19198 1152 1 4 . 1 1 46 46 VAL N N 46 117.075 117.075 114.854 2.221 19198 1153 1 4 . 1 1 46 46 VAL HA H 46 4.726 4.726 5.022 -0.296 19198 1154 1 4 . 1 1 46 46 VAL CA C 46 56.843 56.843 60.833 -3.990 19198 1155 1 4 . 1 1 46 46 VAL CB C 46 33.568 33.568 34.536 -0.968 19198 1156 1 4 . 1 1 46 46 VAL H H 46 8.875 8.875 8.463 0.412 19198 1157 1 4 . 1 1 47 47 ILE N N 47 125.899 125.899 124.826 1.073 19198 1158 1 4 . 1 1 47 47 ILE HA H 47 4.778 4.778 4.307 0.471 19198 1159 1 4 . 1 1 47 47 ILE CB C 47 37.664 37.664 38.680 -1.016 19198 1160 1 4 . 1 1 47 47 ILE H H 47 8.765 8.765 8.648 0.117 19198 1161 1 4 . 1 1 48 48 PHE N N 48 126.624 126.624 127.747 -1.123 19198 1162 1 4 . 1 1 48 48 PHE HA H 48 4.777 4.777 4.547 0.230 19198 1163 1 4 . 1 1 48 48 PHE CA C 48 56.162 56.162 57.476 -1.314 19198 1164 1 4 . 1 1 48 48 PHE CB C 48 38.742 38.742 40.580 -1.838 19198 1165 1 4 . 1 1 48 48 PHE H H 48 9.269 9.269 8.181 1.088 19198 1166 1 4 . 1 1 49 49 GLU N N 49 123.550 123.550 123.218 0.332 19198 1167 1 4 . 1 1 49 49 GLU HA H 49 4.021 4.021 3.947 0.074 19198 1168 1 4 . 1 1 49 49 GLU CA C 49 56.574 56.574 59.417 -2.843 19198 1169 1 4 . 1 1 49 49 GLU CB C 49 26.939 26.939 29.558 -2.619 19198 1170 1 4 . 1 1 49 49 GLU H H 49 9.331 9.331 8.141 1.190 19198 1171 1 4 . 1 1 50 50 ASP N N 50 113.383 113.383 117.080 -3.697 19198 1172 1 4 . 1 1 50 50 ASP HA H 50 4.443 4.443 4.668 -0.225 19198 1173 1 4 . 1 1 50 50 ASP CA C 50 51.307 51.307 53.386 -2.079 19198 1174 1 4 . 1 1 50 50 ASP CB C 50 38.062 38.062 40.963 -2.901 19198 1175 1 4 . 1 1 50 50 ASP H H 50 7.674 7.674 8.276 -0.602 19198 1176 1 4 . 1 1 51 51 GLY N N 51 107.745 107.745 107.166 0.579 19198 1177 1 4 . 1 1 51 51 GLY CA C 51 42.245 42.245 45.229 -2.984 19198 1178 1 4 . 1 1 51 51 GLY H H 51 7.884 7.884 7.496 0.388 19198 1179 1 4 . 1 1 52 52 ARG N N 52 120.713 120.713 119.599 1.114 19198 1180 1 4 . 1 1 52 52 ARG HA H 52 4.292 4.292 4.266 0.026 19198 1181 1 4 . 1 1 52 52 ARG CA C 52 55.314 55.314 54.212 1.102 19198 1182 1 4 . 1 1 52 52 ARG CB C 52 29.759 29.759 30.646 -0.887 19198 1183 1 4 . 1 1 52 52 ARG H H 52 7.880 7.880 7.627 0.253 19198 1184 1 4 . 1 1 53 53 HIS N N 53 120.216 120.216 124.247 -4.031 19198 1185 1 4 . 1 1 53 53 HIS HA H 53 5.671 5.671 4.999 0.672 19198 1186 1 4 . 1 1 53 53 HIS CA C 53 50.579 50.579 54.467 -3.888 19198 1187 1 4 . 1 1 53 53 HIS CB C 53 29.165 29.165 31.077 -1.912 19198 1188 1 4 . 1 1 53 53 HIS H H 53 8.961 8.961 8.433 0.528 19198 1189 1 4 . 1 1 54 54 TYR N N 54 121.480 121.480 126.963 -5.483 19198 1190 1 4 . 1 1 54 54 TYR HA H 54 5.574 5.574 4.866 0.708 19198 1191 1 4 . 1 1 54 54 TYR CA C 54 53.397 53.397 56.326 -2.929 19198 1192 1 4 . 1 1 54 54 TYR CB C 54 39.788 39.788 41.898 -2.110 19198 1193 1 4 . 1 1 54 54 TYR H H 54 9.259 9.259 9.036 0.223 19198 1194 1 4 . 1 1 55 55 THR N N 55 113.818 113.818 116.887 -3.069 19198 1195 1 4 . 1 1 55 55 THR HA H 55 5.013 5.013 4.501 0.512 19198 1196 1 4 . 1 1 55 55 THR CA C 55 57.994 57.994 61.148 -3.154 19198 1197 1 4 . 1 1 55 55 THR CB C 55 67.733 67.733 68.078 -0.345 19198 1198 1 4 . 1 1 55 55 THR H H 55 9.242 9.242 8.477 0.765 19198 1199 1 4 . 1 1 56 56 PHE HA H 56 5.987 5.987 4.383 1.604 19198 1200 1 4 . 1 1 56 56 PHE CA C 56 53.946 53.946 58.957 -5.011 19198 1201 1 4 . 1 1 56 56 PHE CB C 56 42.416 42.416 38.765 3.651 19198 1202 1 4 . 1 1 57 57 VAL N N 57 120.407 120.407 125.308 -4.901 19198 1203 1 4 . 1 1 57 57 VAL HA H 57 4.683 4.683 4.270 0.413 19198 1204 1 4 . 1 1 57 57 VAL CA C 57 59.696 59.696 61.402 -1.706 19198 1205 1 4 . 1 1 57 57 VAL CB C 57 33.227 33.227 33.381 -0.154 19198 1206 1 4 . 1 1 57 57 VAL H H 57 9.076 9.076 8.367 0.709 19198 1207 1 4 . 1 1 58 58 TYR N N 58 131.325 131.325 130.475 0.850 19198 1208 1 4 . 1 1 58 58 TYR HA H 58 5.504 5.504 5.099 0.405 19198 1209 1 4 . 1 1 58 58 TYR CA C 58 53.883 53.883 55.400 -1.517 19198 1210 1 4 . 1 1 58 58 TYR CB C 58 38.558 38.558 39.997 -1.439 19198 1211 1 4 . 1 1 58 58 TYR H H 58 9.821 9.821 9.116 0.705 19198 1212 1 4 . 1 1 59 59 GLU N N 59 123.904 123.904 129.666 -5.762 19198 1213 1 4 . 1 1 59 59 GLU HA H 59 4.519 4.519 4.465 0.054 19198 1214 1 4 . 1 1 59 59 GLU CA C 59 52.718 52.718 54.519 -1.801 19198 1215 1 4 . 1 1 59 59 GLU CB C 59 29.084 29.084 29.572 -0.488 19198 1216 1 4 . 1 1 59 59 GLU H H 59 8.182 8.182 8.182 -0.000 19198 1217 1 4 . 1 1 60 60 ASN N N 60 123.227 123.227 125.205 -1.978 19198 1218 1 4 . 1 1 60 60 ASN HA H 60 4.247 4.247 4.205 0.042 19198 1219 1 4 . 1 1 60 60 ASN CA C 60 51.876 51.876 56.261 -4.385 19198 1220 1 4 . 1 1 60 60 ASN CB C 60 34.949 34.949 37.501 -2.552 19198 1221 1 4 . 1 1 60 60 ASN H H 60 9.566 9.566 8.606 0.960 19198 1222 1 4 . 1 1 61 61 GLU N N 61 107.647 107.647 114.910 -7.263 19198 1223 1 4 . 1 1 61 61 GLU HA H 61 3.500 3.500 4.402 -0.902 19198 1224 1 4 . 1 1 61 61 GLU CA C 61 54.765 54.765 55.847 -1.082 19198 1225 1 4 . 1 1 61 61 GLU CB C 61 25.167 25.167 31.907 -6.740 19198 1226 1 4 . 1 1 61 61 GLU H H 61 8.387 8.387 7.974 0.413 19198 1227 1 4 . 1 1 62 62 ASP N N 62 119.350 119.350 121.521 -2.171 19198 1228 1 4 . 1 1 62 62 ASP HA H 62 4.724 4.724 4.875 -0.151 19198 1229 1 4 . 1 1 62 62 ASP CB C 62 41.251 41.251 42.930 -1.679 19198 1230 1 4 . 1 1 62 62 ASP H H 62 7.314 7.314 7.951 -0.637 19198 1231 1 4 . 1 1 63 63 LEU N N 63 123.998 123.998 127.107 -3.109 19198 1232 1 4 . 1 1 63 63 LEU HA H 63 5.037 5.037 5.171 -0.134 19198 1233 1 4 . 1 1 63 63 LEU CA C 63 51.075 51.075 54.747 -3.672 19198 1234 1 4 . 1 1 63 63 LEU CB C 63 42.312 42.312 42.640 -0.328 19198 1235 1 4 . 1 1 63 63 LEU H H 63 8.226 8.226 8.672 -0.446 19198 1236 1 4 . 1 1 64 64 VAL N N 64 127.167 127.167 127.446 -0.279 19198 1237 1 4 . 1 1 64 64 VAL HA H 64 4.361 4.361 4.148 0.213 19198 1238 1 4 . 1 1 64 64 VAL CA C 64 58.470 58.470 61.027 -2.557 19198 1239 1 4 . 1 1 64 64 VAL CB C 64 31.939 31.939 34.306 -2.367 19198 1240 1 4 . 1 1 64 64 VAL H H 64 8.915 8.915 8.974 -0.059 19198 1241 1 4 . 1 1 65 65 TYR N N 65 121.421 121.421 123.402 -1.981 19198 1242 1 4 . 1 1 65 65 TYR HA H 65 5.893 5.893 4.860 1.033 19198 1243 1 4 . 1 1 65 65 TYR CA C 65 53.115 53.115 55.537 -2.422 19198 1244 1 4 . 1 1 65 65 TYR CB C 65 39.948 39.948 40.203 -0.255 19198 1245 1 4 . 1 1 65 65 TYR H H 65 8.207 8.207 7.768 0.439 19198 1246 1 4 . 1 1 66 66 GLU N N 66 117.842 117.842 119.887 -2.045 19198 1247 1 4 . 1 1 66 66 GLU HA H 66 4.793 4.793 4.635 0.158 19198 1248 1 4 . 1 1 66 66 GLU CB C 66 30.949 30.949 31.697 -0.748 19198 1249 1 4 . 1 1 66 66 GLU H H 66 8.875 8.875 8.715 0.160 19198 1250 1 4 . 1 1 67 67 GLU N N 67 125.220 125.220 119.407 5.813 19198 1251 1 4 . 1 1 67 67 GLU HA H 67 4.084 4.084 4.930 -0.846 19198 1252 1 4 . 1 1 67 67 GLU CA C 67 54.157 54.157 56.526 -2.369 19198 1253 1 4 . 1 1 67 67 GLU CB C 67 27.697 27.697 33.131 -5.434 19198 1254 1 4 . 1 1 67 67 GLU H H 67 9.033 9.033 8.225 0.808 19198 1255 1 4 . 1 1 68 68 GLU N N 68 127.058 127.058 124.236 2.822 19198 1256 1 4 . 1 1 68 68 GLU HA H 68 4.358 4.358 4.204 0.154 19198 1257 1 4 . 1 1 68 68 GLU CA C 68 53.193 53.193 57.271 -4.078 19198 1258 1 4 . 1 1 68 68 GLU CB C 68 28.405 28.405 29.763 -1.358 19198 1259 1 4 . 1 1 68 68 GLU H H 68 8.546 8.546 8.390 0.156 19198 1260 1 4 . 1 1 69 69 VAL N N 69 125.782 125.782 125.624 0.158 19198 1261 1 4 . 1 1 69 69 VAL HA H 69 4.046 4.046 4.534 -0.488 19198 1262 1 4 . 1 1 69 69 VAL CA C 69 59.775 59.775 62.267 -2.492 19198 1263 1 4 . 1 1 69 69 VAL CB C 69 30.174 30.174 32.539 -2.365 19198 1264 1 4 . 1 1 69 69 VAL H H 69 8.422 8.422 8.456 -0.034 19198 1265 1 5 . 1 1 3 3 ASP N N 3 120.996 120.996 120.861 0.135 19198 1266 1 5 . 1 1 3 3 ASP H H 3 8.416 8.416 7.997 0.419 19198 1267 1 5 . 1 1 4 4 ARG N N 4 120.957 120.957 123.922 -2.965 19198 1268 1 5 . 1 1 4 4 ARG H H 4 8.187 8.187 8.379 -0.192 19198 1269 1 5 . 1 1 5 5 LYS N N 5 122.746 122.746 122.212 0.534 19198 1270 1 5 . 1 1 5 5 LYS HA H 5 4.209 4.209 4.240 -0.031 19198 1271 1 5 . 1 1 5 5 LYS CA C 5 53.562 53.562 56.480 -2.918 19198 1272 1 5 . 1 1 5 5 LYS CB C 5 30.595 30.595 32.449 -1.854 19198 1273 1 5 . 1 1 5 5 LYS H H 5 8.223 8.223 8.207 0.016 19198 1274 1 5 . 1 1 6 6 LEU N N 6 124.432 124.432 125.750 -1.318 19198 1275 1 5 . 1 1 6 6 LEU HA H 6 4.345 4.345 4.616 -0.271 19198 1276 1 5 . 1 1 6 6 LEU CA C 6 52.051 52.051 53.868 -1.817 19198 1277 1 5 . 1 1 6 6 LEU CB C 6 39.833 39.833 43.020 -3.187 19198 1278 1 5 . 1 1 6 6 LEU H H 6 8.258 8.258 8.419 -0.161 19198 1279 1 5 . 1 1 7 7 MET N N 7 122.420 122.420 121.148 1.272 19198 1280 1 5 . 1 1 7 7 MET HA H 7 4.529 4.529 4.660 -0.132 19198 1281 1 5 . 1 1 7 7 MET CA C 7 52.288 52.288 55.317 -3.029 19198 1282 1 5 . 1 1 7 7 MET CB C 7 30.827 30.827 32.861 -2.034 19198 1283 1 5 . 1 1 7 7 MET H H 7 8.284 8.284 8.209 0.075 19198 1284 1 5 . 1 1 8 8 LYS N N 8 124.204 124.204 120.536 3.668 19198 1285 1 5 . 1 1 8 8 LYS HA H 8 4.461 4.461 4.485 -0.024 19198 1286 1 5 . 1 1 8 8 LYS CA C 8 53.986 53.986 56.766 -2.780 19198 1287 1 5 . 1 1 8 8 LYS CB C 8 31.771 31.771 32.718 -0.947 19198 1288 1 5 . 1 1 8 8 LYS H H 8 9.420 9.420 8.493 0.927 19198 1289 1 5 . 1 1 9 9 THR N N 9 113.488 113.488 108.577 4.911 19198 1290 1 5 . 1 1 9 9 THR HA H 9 4.366 4.366 4.660 -0.294 19198 1291 1 5 . 1 1 9 9 THR CA C 9 57.964 57.964 60.278 -2.314 19198 1292 1 5 . 1 1 9 9 THR CB C 9 68.912 68.912 72.181 -3.269 19198 1293 1 5 . 1 1 9 9 THR H H 9 8.817 8.817 7.923 0.894 19198 1294 1 5 . 1 1 10 10 GLN N N 10 121.509 121.509 121.646 -0.137 19198 1295 1 5 . 1 1 10 10 GLN HA H 10 3.012 3.012 3.755 -0.743 19198 1296 1 5 . 1 1 10 10 GLN CA C 10 57.666 57.666 59.913 -2.247 19198 1297 1 5 . 1 1 10 10 GLN CB C 10 24.850 24.850 28.241 -3.390 19198 1298 1 5 . 1 1 10 10 GLN H H 10 8.586 8.586 8.812 -0.226 19198 1299 1 5 . 1 1 11 11 GLU N N 11 121.406 121.406 119.595 1.811 19198 1300 1 5 . 1 1 11 11 GLU HA H 11 3.801 3.801 3.939 -0.138 19198 1301 1 5 . 1 1 11 11 GLU CA C 11 57.739 57.739 59.965 -2.226 19198 1302 1 5 . 1 1 11 11 GLU CB C 11 26.332 26.332 28.983 -2.651 19198 1303 1 5 . 1 1 11 11 GLU H H 11 8.998 8.998 8.512 0.486 19198 1304 1 5 . 1 1 12 12 GLU N N 12 120.601 120.601 119.418 1.183 19198 1305 1 5 . 1 1 12 12 GLU HA H 12 3.864 3.864 4.026 -0.162 19198 1306 1 5 . 1 1 12 12 GLU CA C 12 56.542 56.542 59.149 -2.607 19198 1307 1 5 . 1 1 12 12 GLU CB C 12 27.796 27.796 29.614 -1.818 19198 1308 1 5 . 1 1 12 12 GLU H H 12 7.688 7.688 7.755 -0.067 19198 1309 1 5 . 1 1 13 13 LEU N N 13 117.867 117.867 119.672 -1.805 19198 1310 1 5 . 1 1 13 13 LEU HA H 13 3.755 3.755 4.175 -0.420 19198 1311 1 5 . 1 1 13 13 LEU CA C 13 54.855 54.855 58.335 -3.480 19198 1312 1 5 . 1 1 13 13 LEU CB C 13 40.140 40.140 41.232 -1.092 19198 1313 1 5 . 1 1 13 13 LEU H H 13 8.172 8.172 7.782 0.390 19198 1314 1 5 . 1 1 14 14 THR N N 14 115.136 115.136 115.393 -0.257 19198 1315 1 5 . 1 1 14 14 THR HA H 14 3.256 3.256 4.064 -0.808 19198 1316 1 5 . 1 1 14 14 THR CA C 14 64.768 64.768 66.917 -2.149 19198 1317 1 5 . 1 1 14 14 THR CB C 14 65.545 65.545 68.395 -2.850 19198 1318 1 5 . 1 1 14 14 THR H H 14 8.166 8.166 7.802 0.364 19198 1319 1 5 . 1 1 15 15 GLU N N 15 120.674 120.674 121.944 -1.270 19198 1320 1 5 . 1 1 15 15 GLU HA H 15 3.857 3.857 4.156 -0.299 19198 1321 1 5 . 1 1 15 15 GLU CA C 15 56.467 56.467 59.164 -2.697 19198 1322 1 5 . 1 1 15 15 GLU CB C 15 26.370 26.370 29.197 -2.827 19198 1323 1 5 . 1 1 15 15 GLU H H 15 7.504 7.504 8.323 -0.819 19198 1324 1 5 . 1 1 16 16 ILE N N 16 119.946 119.946 121.400 -1.454 19198 1325 1 5 . 1 1 16 16 ILE HA H 16 3.602 3.602 3.682 -0.080 19198 1326 1 5 . 1 1 16 16 ILE CA C 16 62.428 62.428 65.951 -3.523 19198 1327 1 5 . 1 1 16 16 ILE CB C 16 35.913 35.913 37.738 -1.825 19198 1328 1 5 . 1 1 16 16 ILE H H 16 7.162 7.162 8.662 -1.500 19198 1329 1 5 . 1 1 17 17 VAL N N 17 120.087 120.087 118.092 1.995 19198 1330 1 5 . 1 1 17 17 VAL HA H 17 3.001 3.001 3.757 -0.756 19198 1331 1 5 . 1 1 17 17 VAL CA C 17 64.706 64.706 65.846 -1.140 19198 1332 1 5 . 1 1 17 17 VAL CB C 17 28.391 28.391 31.006 -2.615 19198 1333 1 5 . 1 1 17 17 VAL H H 17 7.539 7.539 7.595 -0.056 19198 1334 1 5 . 1 1 18 18 ARG N N 18 121.099 121.099 120.150 0.949 19198 1335 1 5 . 1 1 18 18 ARG HA H 18 3.438 3.438 4.091 -0.653 19198 1336 1 5 . 1 1 18 18 ARG CA C 18 57.834 57.834 59.648 -1.814 19198 1337 1 5 . 1 1 18 18 ARG CB C 18 27.388 27.388 30.177 -2.789 19198 1338 1 5 . 1 1 18 18 ARG H H 18 8.708 8.708 8.250 0.458 19198 1339 1 5 . 1 1 19 19 ASP N N 19 118.955 118.955 119.647 -0.692 19198 1340 1 5 . 1 1 19 19 ASP HA H 19 4.215 4.215 4.377 -0.162 19198 1341 1 5 . 1 1 19 19 ASP CA C 19 54.604 54.604 57.697 -3.094 19198 1342 1 5 . 1 1 19 19 ASP CB C 19 37.705 37.705 40.933 -3.228 19198 1343 1 5 . 1 1 19 19 ASP H H 19 8.286 8.286 8.399 -0.113 19198 1344 1 5 . 1 1 20 20 HIS N N 20 116.419 116.419 116.261 0.158 19198 1345 1 5 . 1 1 20 20 HIS HA H 20 4.147 4.147 4.420 -0.273 19198 1346 1 5 . 1 1 20 20 HIS CA C 20 56.243 56.243 58.073 -1.830 19198 1347 1 5 . 1 1 20 20 HIS CB C 20 26.196 26.196 30.442 -4.245 19198 1348 1 5 . 1 1 20 20 HIS H H 20 7.532 7.532 8.392 -0.860 19198 1349 1 5 . 1 1 21 21 PHE N N 21 116.347 116.347 118.787 -2.440 19198 1350 1 5 . 1 1 21 21 PHE HA H 21 4.463 4.463 4.763 -0.300 19198 1351 1 5 . 1 1 21 21 PHE CA C 21 58.279 58.279 58.265 0.014 19198 1352 1 5 . 1 1 21 21 PHE CB C 21 36.780 36.780 40.642 -3.862 19198 1353 1 5 . 1 1 21 21 PHE H H 21 7.983 7.983 8.187 -0.204 19198 1354 1 5 . 1 1 22 22 SER N N 22 116.555 116.555 116.962 -0.407 19198 1355 1 5 . 1 1 22 22 SER HA H 22 4.541 4.541 4.282 0.259 19198 1356 1 5 . 1 1 22 22 SER CA C 22 59.013 59.013 61.709 -2.696 19198 1357 1 5 . 1 1 22 22 SER CB C 22 60.225 60.225 63.123 -2.898 19198 1358 1 5 . 1 1 22 22 SER H H 22 8.578 8.578 8.318 0.260 19198 1359 1 5 . 1 1 23 23 ASP N N 23 118.564 118.564 120.725 -2.161 19198 1360 1 5 . 1 1 23 23 ASP HA H 23 4.581 4.581 4.827 -0.246 19198 1361 1 5 . 1 1 23 23 ASP CA C 23 52.796 52.796 54.846 -2.050 19198 1362 1 5 . 1 1 23 23 ASP CB C 23 38.460 38.460 41.024 -2.564 19198 1363 1 5 . 1 1 23 23 ASP H H 23 7.246 7.246 8.153 -0.907 19198 1364 1 5 . 1 1 24 24 MET N N 24 116.378 116.378 117.803 -1.425 19198 1365 1 5 . 1 1 24 24 MET HA H 24 4.207 4.207 4.760 -0.553 19198 1366 1 5 . 1 1 24 24 MET CA C 24 53.696 53.696 55.169 -1.474 19198 1367 1 5 . 1 1 24 24 MET CB C 24 32.101 32.101 34.326 -2.225 19198 1368 1 5 . 1 1 24 24 MET H H 24 7.958 7.958 8.027 -0.069 19198 1369 1 5 . 1 1 25 25 GLY N N 25 107.470 107.470 107.910 -0.440 19198 1370 1 5 . 1 1 25 25 GLY CA C 25 42.230 42.230 44.577 -2.347 19198 1371 1 5 . 1 1 25 25 GLY H H 25 7.475 7.475 7.680 -0.205 19198 1372 1 5 . 1 1 26 26 GLU N N 26 117.869 117.869 121.414 -3.545 19198 1373 1 5 . 1 1 26 26 GLU HA H 26 4.452 4.452 4.344 0.108 19198 1374 1 5 . 1 1 26 26 GLU CA C 26 52.851 52.851 54.685 -1.834 19198 1375 1 5 . 1 1 26 26 GLU CB C 26 27.412 27.412 30.377 -2.965 19198 1376 1 5 . 1 1 26 26 GLU H H 26 8.397 8.397 8.130 0.267 19198 1377 1 5 . 1 1 27 27 ILE N N 27 129.460 129.460 125.237 4.223 19198 1378 1 5 . 1 1 27 27 ILE HA H 27 3.206 3.206 3.510 -0.304 19198 1379 1 5 . 1 1 27 27 ILE CA C 27 61.133 61.133 62.835 -1.702 19198 1380 1 5 . 1 1 27 27 ILE CB C 27 36.987 36.987 37.817 -0.830 19198 1381 1 5 . 1 1 27 27 ILE H H 27 8.980 8.980 8.476 0.504 19198 1382 1 5 . 1 1 28 28 ALA N N 28 131.875 131.875 131.000 0.875 19198 1383 1 5 . 1 1 28 28 ALA HA H 28 4.492 4.492 4.258 0.234 19198 1384 1 5 . 1 1 28 28 ALA CA C 28 50.949 50.949 52.998 -2.049 19198 1385 1 5 . 1 1 28 28 ALA CB C 28 17.101 17.101 20.289 -3.188 19198 1386 1 5 . 1 1 28 28 ALA H H 28 9.208 9.208 8.737 0.471 19198 1387 1 5 . 1 1 29 29 THR N N 29 112.070 112.070 113.380 -1.310 19198 1388 1 5 . 1 1 29 29 THR HA H 29 4.346 4.346 4.406 -0.060 19198 1389 1 5 . 1 1 29 29 THR CA C 29 58.963 58.963 61.520 -2.557 19198 1390 1 5 . 1 1 29 29 THR CB C 29 69.475 69.475 71.070 -1.595 19198 1391 1 5 . 1 1 29 29 THR H H 29 7.803 7.803 7.673 0.130 19198 1392 1 5 . 1 1 30 30 LEU N N 30 129.754 129.754 128.014 1.740 19198 1393 1 5 . 1 1 30 30 LEU HA H 30 4.878 4.878 4.735 0.143 19198 1394 1 5 . 1 1 30 30 LEU CA C 30 52.316 52.316 54.029 -1.713 19198 1395 1 5 . 1 1 30 30 LEU CB C 30 42.195 42.195 42.967 -0.772 19198 1396 1 5 . 1 1 30 30 LEU H H 30 8.388 8.388 8.397 -0.009 19198 1397 1 5 . 1 1 31 31 TYR N N 31 124.642 124.642 125.746 -1.104 19198 1398 1 5 . 1 1 31 31 TYR HA H 31 5.108 5.108 4.883 0.225 19198 1399 1 5 . 1 1 31 31 TYR CA C 31 52.174 52.174 56.048 -3.874 19198 1400 1 5 . 1 1 31 31 TYR CB C 31 38.406 38.406 39.101 -0.695 19198 1401 1 5 . 1 1 31 31 TYR H H 31 8.837 8.837 8.842 -0.005 19198 1402 1 5 . 1 1 32 32 VAL N N 32 121.165 121.165 119.520 1.645 19198 1403 1 5 . 1 1 32 32 VAL HA H 32 4.083 4.083 4.299 -0.216 19198 1404 1 5 . 1 1 32 32 VAL CA C 32 59.645 59.645 61.146 -1.501 19198 1405 1 5 . 1 1 32 32 VAL CB C 32 32.016 32.016 35.119 -3.103 19198 1406 1 5 . 1 1 32 32 VAL H H 32 8.684 8.684 8.200 0.484 19198 1407 1 5 . 1 1 33 33 GLN N N 33 126.911 126.911 125.017 1.894 19198 1408 1 5 . 1 1 33 33 GLN HA H 33 4.462 4.462 4.371 0.091 19198 1409 1 5 . 1 1 33 33 GLN CA C 33 54.266 54.266 56.058 -1.792 19198 1410 1 5 . 1 1 33 33 GLN CB C 33 28.717 28.717 30.655 -1.938 19198 1411 1 5 . 1 1 33 33 GLN H H 33 9.633 9.633 8.452 1.181 19198 1412 1 5 . 1 1 34 34 VAL N N 34 117.041 117.041 118.198 -1.157 19198 1413 1 5 . 1 1 34 34 VAL HA H 34 4.313 4.313 4.328 -0.015 19198 1414 1 5 . 1 1 34 34 VAL CA C 34 59.270 59.270 61.585 -2.315 19198 1415 1 5 . 1 1 34 34 VAL CB C 34 33.725 33.725 33.856 -0.131 19198 1416 1 5 . 1 1 34 34 VAL H H 34 7.840 7.840 7.515 0.325 19198 1417 1 5 . 1 1 35 35 TYR N N 35 128.263 128.263 129.616 -1.353 19198 1418 1 5 . 1 1 35 35 TYR HA H 35 5.415 5.415 4.940 0.475 19198 1419 1 5 . 1 1 35 35 TYR CA C 35 52.594 52.594 55.217 -2.623 19198 1420 1 5 . 1 1 35 35 TYR CB C 35 38.583 38.583 39.123 -0.540 19198 1421 1 5 . 1 1 35 35 TYR H H 35 8.580 8.580 8.583 -0.003 19198 1422 1 5 . 1 1 36 36 GLU N N 36 129.574 129.574 129.210 0.364 19198 1423 1 5 . 1 1 36 36 GLU HA H 36 4.403 4.403 4.046 0.357 19198 1424 1 5 . 1 1 36 36 GLU CA C 36 51.421 51.421 55.703 -4.282 19198 1425 1 5 . 1 1 36 36 GLU CB C 36 28.035 28.035 28.880 -0.845 19198 1426 1 5 . 1 1 36 36 GLU H H 36 8.118 8.118 8.611 -0.493 19198 1427 1 5 . 1 1 37 37 SER N N 37 121.805 121.805 120.291 1.514 19198 1428 1 5 . 1 1 37 37 SER HA H 37 3.754 3.754 3.730 0.024 19198 1429 1 5 . 1 1 37 37 SER CA C 37 57.817 57.817 60.084 -2.267 19198 1430 1 5 . 1 1 37 37 SER CB C 37 60.041 60.041 63.170 -3.129 19198 1431 1 5 . 1 1 37 37 SER H H 37 8.312 8.312 8.229 0.083 19198 1432 1 5 . 1 1 38 38 SER N N 38 116.337 116.337 114.324 2.013 19198 1433 1 5 . 1 1 38 38 SER HA H 38 4.214 4.214 4.602 -0.388 19198 1434 1 5 . 1 1 38 38 SER CA C 38 58.237 58.237 57.862 0.375 19198 1435 1 5 . 1 1 38 38 SER CB C 38 60.243 60.243 64.015 -3.772 19198 1436 1 5 . 1 1 38 38 SER H H 38 8.389 8.389 7.902 0.487 19198 1437 1 5 . 1 1 39 39 LEU N N 39 119.070 119.070 119.759 -0.689 19198 1438 1 5 . 1 1 39 39 LEU HA H 39 4.414 4.414 4.516 -0.102 19198 1439 1 5 . 1 1 39 39 LEU CA C 39 51.365 51.365 53.201 -1.836 19198 1440 1 5 . 1 1 39 39 LEU CB C 39 40.504 40.504 44.981 -4.477 19198 1441 1 5 . 1 1 39 39 LEU H H 39 6.905 6.905 7.041 -0.136 19198 1442 1 5 . 1 1 40 40 GLU N N 40 118.837 118.837 120.242 -1.405 19198 1443 1 5 . 1 1 40 40 GLU HA H 40 3.781 3.781 4.676 -0.895 19198 1444 1 5 . 1 1 40 40 GLU CA C 40 54.621 54.621 55.765 -1.144 19198 1445 1 5 . 1 1 40 40 GLU CB C 40 26.307 26.307 29.544 -3.236 19198 1446 1 5 . 1 1 40 40 GLU H H 40 7.814 7.814 8.641 -0.827 19198 1447 1 5 . 1 1 41 41 SER N N 41 110.546 110.546 116.168 -5.622 19198 1448 1 5 . 1 1 41 41 SER HA H 41 5.730 5.730 4.992 0.738 19198 1449 1 5 . 1 1 41 41 SER CA C 41 52.696 52.696 57.122 -4.426 19198 1450 1 5 . 1 1 41 41 SER CB C 41 63.820 63.820 66.014 -2.194 19198 1451 1 5 . 1 1 41 41 SER H H 41 7.452 7.452 8.364 -0.912 19198 1452 1 5 . 1 1 42 42 LEU N N 42 124.649 124.649 125.584 -0.935 19198 1453 1 5 . 1 1 42 42 LEU HA H 42 5.384 5.384 4.866 0.518 19198 1454 1 5 . 1 1 42 42 LEU CA C 42 51.231 51.231 54.793 -3.562 19198 1455 1 5 . 1 1 42 42 LEU CB C 42 46.451 46.451 45.428 1.022 19198 1456 1 5 . 1 1 42 42 LEU H H 42 9.281 9.281 8.342 0.939 19198 1457 1 5 . 1 1 43 43 VAL N N 43 125.093 125.093 123.284 1.809 19198 1458 1 5 . 1 1 43 43 VAL HA H 43 4.629 4.629 4.784 -0.155 19198 1459 1 5 . 1 1 43 43 VAL CA C 43 58.185 58.185 60.042 -1.857 19198 1460 1 5 . 1 1 43 43 VAL CB C 43 33.136 33.136 35.394 -2.258 19198 1461 1 5 . 1 1 43 43 VAL H H 43 8.849 8.849 7.941 0.907 19198 1462 1 5 . 1 1 44 44 GLY N N 44 114.807 114.807 108.651 6.156 19198 1463 1 5 . 1 1 44 44 GLY CA C 44 43.685 43.685 45.371 -1.686 19198 1464 1 5 . 1 1 44 44 GLY H H 44 7.156 7.156 8.369 -1.213 19198 1465 1 5 . 1 1 45 45 GLY N N 45 117.443 117.443 109.749 7.694 19198 1466 1 5 . 1 1 45 45 GLY CA C 45 43.268 43.268 46.028 -2.760 19198 1467 1 5 . 1 1 45 45 GLY H H 45 8.582 8.582 7.763 0.819 19198 1468 1 5 . 1 1 46 46 VAL N N 46 117.075 117.075 118.139 -1.064 19198 1469 1 5 . 1 1 46 46 VAL HA H 46 4.726 4.726 4.548 0.178 19198 1470 1 5 . 1 1 46 46 VAL CA C 46 56.843 56.843 61.751 -4.908 19198 1471 1 5 . 1 1 46 46 VAL CB C 46 33.568 33.568 35.463 -1.895 19198 1472 1 5 . 1 1 46 46 VAL H H 46 8.875 8.875 8.434 0.441 19198 1473 1 5 . 1 1 47 47 ILE N N 47 125.899 125.899 128.495 -2.596 19198 1474 1 5 . 1 1 47 47 ILE HA H 47 4.778 4.778 4.399 0.379 19198 1475 1 5 . 1 1 47 47 ILE CB C 47 37.664 37.664 40.290 -2.626 19198 1476 1 5 . 1 1 47 47 ILE H H 47 8.765 8.765 8.164 0.601 19198 1477 1 5 . 1 1 48 48 PHE N N 48 126.624 126.624 126.003 0.621 19198 1478 1 5 . 1 1 48 48 PHE HA H 48 4.777 4.777 4.881 -0.104 19198 1479 1 5 . 1 1 48 48 PHE CA C 48 56.162 56.162 56.358 -0.196 19198 1480 1 5 . 1 1 48 48 PHE CB C 48 38.742 38.742 42.117 -3.376 19198 1481 1 5 . 1 1 48 48 PHE H H 48 9.269 9.269 8.555 0.714 19198 1482 1 5 . 1 1 49 49 GLU N N 49 123.550 123.550 121.924 1.626 19198 1483 1 5 . 1 1 49 49 GLU HA H 49 4.021 4.021 4.002 0.019 19198 1484 1 5 . 1 1 49 49 GLU CA C 49 56.574 56.574 59.230 -2.656 19198 1485 1 5 . 1 1 49 49 GLU CB C 49 26.939 26.939 29.794 -2.856 19198 1486 1 5 . 1 1 49 49 GLU H H 49 9.331 9.331 8.308 1.023 19198 1487 1 5 . 1 1 50 50 ASP N N 50 113.383 113.383 117.012 -3.629 19198 1488 1 5 . 1 1 50 50 ASP HA H 50 4.443 4.443 4.692 -0.249 19198 1489 1 5 . 1 1 50 50 ASP CA C 50 51.307 51.307 54.114 -2.807 19198 1490 1 5 . 1 1 50 50 ASP CB C 50 38.062 38.062 41.308 -3.246 19198 1491 1 5 . 1 1 50 50 ASP H H 50 7.674 7.674 8.522 -0.848 19198 1492 1 5 . 1 1 51 51 GLY N N 51 107.745 107.745 107.545 0.200 19198 1493 1 5 . 1 1 51 51 GLY CA C 51 42.245 42.245 45.059 -2.814 19198 1494 1 5 . 1 1 51 51 GLY H H 51 7.884 7.884 7.573 0.311 19198 1495 1 5 . 1 1 52 52 ARG N N 52 120.713 120.713 119.671 1.042 19198 1496 1 5 . 1 1 52 52 ARG HA H 52 4.292 4.292 4.399 -0.107 19198 1497 1 5 . 1 1 52 52 ARG CA C 52 55.314 55.314 54.395 0.919 19198 1498 1 5 . 1 1 52 52 ARG CB C 52 29.759 29.759 30.716 -0.957 19198 1499 1 5 . 1 1 52 52 ARG H H 52 7.880 7.880 7.795 0.085 19198 1500 1 5 . 1 1 53 53 HIS N N 53 120.216 120.216 123.234 -3.018 19198 1501 1 5 . 1 1 53 53 HIS HA H 53 5.671 5.671 4.705 0.966 19198 1502 1 5 . 1 1 53 53 HIS CA C 53 50.579 50.579 55.252 -4.673 19198 1503 1 5 . 1 1 53 53 HIS CB C 53 29.165 29.165 30.873 -1.708 19198 1504 1 5 . 1 1 53 53 HIS H H 53 8.961 8.961 8.306 0.655 19198 1505 1 5 . 1 1 54 54 TYR N N 54 121.480 121.480 126.854 -5.374 19198 1506 1 5 . 1 1 54 54 TYR HA H 54 5.574 5.574 5.000 0.574 19198 1507 1 5 . 1 1 54 54 TYR CA C 54 53.397 53.397 56.615 -3.218 19198 1508 1 5 . 1 1 54 54 TYR CB C 54 39.788 39.788 42.608 -2.820 19198 1509 1 5 . 1 1 54 54 TYR H H 54 9.259 9.259 8.912 0.347 19198 1510 1 5 . 1 1 55 55 THR N N 55 113.818 113.818 117.788 -3.970 19198 1511 1 5 . 1 1 55 55 THR HA H 55 5.013 5.013 4.621 0.392 19198 1512 1 5 . 1 1 55 55 THR CA C 55 57.994 57.994 61.430 -3.436 19198 1513 1 5 . 1 1 55 55 THR CB C 55 67.733 67.733 67.683 0.050 19198 1514 1 5 . 1 1 55 55 THR H H 55 9.242 9.242 8.834 0.408 19198 1515 1 5 . 1 1 56 56 PHE HA H 56 5.987 5.987 4.765 1.222 19198 1516 1 5 . 1 1 56 56 PHE CA C 56 53.946 53.946 59.404 -5.458 19198 1517 1 5 . 1 1 56 56 PHE CB C 56 42.416 42.416 39.688 2.728 19198 1518 1 5 . 1 1 57 57 VAL N N 57 120.407 120.407 125.456 -5.049 19198 1519 1 5 . 1 1 57 57 VAL HA H 57 4.683 4.683 4.302 0.381 19198 1520 1 5 . 1 1 57 57 VAL CA C 57 59.696 59.696 61.767 -2.071 19198 1521 1 5 . 1 1 57 57 VAL CB C 57 33.227 33.227 34.192 -0.965 19198 1522 1 5 . 1 1 57 57 VAL H H 57 9.076 9.076 9.126 -0.050 19198 1523 1 5 . 1 1 58 58 TYR N N 58 131.325 131.325 129.822 1.503 19198 1524 1 5 . 1 1 58 58 TYR HA H 58 5.504 5.504 5.251 0.253 19198 1525 1 5 . 1 1 58 58 TYR CA C 58 53.883 53.883 54.920 -1.037 19198 1526 1 5 . 1 1 58 58 TYR CB C 58 38.558 38.558 40.430 -1.872 19198 1527 1 5 . 1 1 58 58 TYR H H 58 9.821 9.821 9.172 0.649 19198 1528 1 5 . 1 1 59 59 GLU N N 59 123.904 123.904 128.077 -4.173 19198 1529 1 5 . 1 1 59 59 GLU HA H 59 4.519 4.519 4.561 -0.042 19198 1530 1 5 . 1 1 59 59 GLU CA C 59 52.718 52.718 54.274 -1.556 19198 1531 1 5 . 1 1 59 59 GLU CB C 59 29.084 29.084 29.722 -0.638 19198 1532 1 5 . 1 1 59 59 GLU H H 59 8.182 8.182 8.736 -0.554 19198 1533 1 5 . 1 1 60 60 ASN N N 60 123.227 123.227 124.956 -1.729 19198 1534 1 5 . 1 1 60 60 ASN HA H 60 4.247 4.247 3.995 0.252 19198 1535 1 5 . 1 1 60 60 ASN CA C 60 51.876 51.876 56.761 -4.885 19198 1536 1 5 . 1 1 60 60 ASN CB C 60 34.949 34.949 37.807 -2.858 19198 1537 1 5 . 1 1 60 60 ASN H H 60 9.566 9.566 8.472 1.094 19198 1538 1 5 . 1 1 61 61 GLU N N 61 107.647 107.647 113.727 -6.080 19198 1539 1 5 . 1 1 61 61 GLU HA H 61 3.500 3.500 4.511 -1.011 19198 1540 1 5 . 1 1 61 61 GLU CA C 61 54.765 54.765 56.151 -1.387 19198 1541 1 5 . 1 1 61 61 GLU CB C 61 25.167 25.167 32.191 -7.024 19198 1542 1 5 . 1 1 61 61 GLU H H 61 8.387 8.387 7.981 0.406 19198 1543 1 5 . 1 1 62 62 ASP N N 62 119.350 119.350 122.965 -3.615 19198 1544 1 5 . 1 1 62 62 ASP HA H 62 4.724 4.724 4.659 0.065 19198 1545 1 5 . 1 1 62 62 ASP CB C 62 41.251 41.251 41.898 -0.647 19198 1546 1 5 . 1 1 62 62 ASP H H 62 7.314 7.314 8.040 -0.726 19198 1547 1 5 . 1 1 63 63 LEU N N 63 123.998 123.998 126.275 -2.277 19198 1548 1 5 . 1 1 63 63 LEU HA H 63 5.037 5.037 4.757 0.280 19198 1549 1 5 . 1 1 63 63 LEU CA C 63 51.075 51.075 53.608 -2.533 19198 1550 1 5 . 1 1 63 63 LEU CB C 63 42.312 42.312 42.286 0.026 19198 1551 1 5 . 1 1 63 63 LEU H H 63 8.226 8.226 8.542 -0.316 19198 1552 1 5 . 1 1 64 64 VAL N N 64 127.167 127.167 124.921 2.246 19198 1553 1 5 . 1 1 64 64 VAL HA H 64 4.361 4.361 3.769 0.592 19198 1554 1 5 . 1 1 64 64 VAL CA C 64 58.470 58.470 60.882 -2.412 19198 1555 1 5 . 1 1 64 64 VAL CB C 64 31.939 31.939 32.140 -0.201 19198 1556 1 5 . 1 1 64 64 VAL H H 64 8.915 8.915 8.831 0.084 19198 1557 1 5 . 1 1 65 65 TYR N N 65 121.421 121.421 122.358 -0.937 19198 1558 1 5 . 1 1 65 65 TYR HA H 65 5.893 5.893 5.363 0.530 19198 1559 1 5 . 1 1 65 65 TYR CA C 65 53.115 53.115 54.274 -1.159 19198 1560 1 5 . 1 1 65 65 TYR CB C 65 39.948 39.948 41.120 -1.172 19198 1561 1 5 . 1 1 65 65 TYR H H 65 8.207 8.207 7.864 0.343 19198 1562 1 5 . 1 1 66 66 GLU N N 66 117.842 117.842 120.192 -2.350 19198 1563 1 5 . 1 1 66 66 GLU HA H 66 4.793 4.793 4.730 0.063 19198 1564 1 5 . 1 1 66 66 GLU CB C 66 30.949 30.949 33.210 -2.261 19198 1565 1 5 . 1 1 66 66 GLU H H 66 8.875 8.875 8.622 0.253 19198 1566 1 5 . 1 1 67 67 GLU N N 67 125.220 125.220 120.705 4.515 19198 1567 1 5 . 1 1 67 67 GLU HA H 67 4.084 4.084 4.675 -0.591 19198 1568 1 5 . 1 1 67 67 GLU CA C 67 54.157 54.157 54.952 -0.795 19198 1569 1 5 . 1 1 67 67 GLU CB C 67 27.697 27.697 32.221 -4.524 19198 1570 1 5 . 1 1 67 67 GLU H H 67 9.033 9.033 8.689 0.344 19198 1571 1 5 . 1 1 68 68 GLU N N 68 127.058 127.058 128.025 -0.967 19198 1572 1 5 . 1 1 68 68 GLU HA H 68 4.358 4.358 4.148 0.210 19198 1573 1 5 . 1 1 68 68 GLU CA C 68 53.193 53.193 57.142 -3.949 19198 1574 1 5 . 1 1 68 68 GLU CB C 68 28.405 28.405 29.538 -1.133 19198 1575 1 5 . 1 1 68 68 GLU H H 68 8.546 8.546 8.078 0.468 19198 1576 1 5 . 1 1 69 69 VAL N N 69 125.782 125.782 125.623 0.159 19198 1577 1 5 . 1 1 69 69 VAL HA H 69 4.046 4.046 4.326 -0.280 19198 1578 1 5 . 1 1 69 69 VAL CA C 69 59.775 59.775 61.958 -2.183 19198 1579 1 5 . 1 1 69 69 VAL CB C 69 30.174 30.174 33.302 -3.128 19198 1580 1 5 . 1 1 69 69 VAL H H 69 8.422 8.422 8.524 -0.102 19198 1581 1 6 . 1 1 3 3 ASP N N 3 120.996 120.996 118.562 2.434 19198 1582 1 6 . 1 1 3 3 ASP H H 3 8.416 8.416 8.520 -0.104 19198 1583 1 6 . 1 1 4 4 ARG N N 4 120.957 120.957 119.457 1.500 19198 1584 1 6 . 1 1 4 4 ARG H H 4 8.187 8.187 8.217 -0.030 19198 1585 1 6 . 1 1 5 5 LYS N N 5 122.746 122.746 121.157 1.589 19198 1586 1 6 . 1 1 5 5 LYS HA H 5 4.209 4.209 4.235 -0.026 19198 1587 1 6 . 1 1 5 5 LYS CA C 5 53.562 53.562 56.849 -3.287 19198 1588 1 6 . 1 1 5 5 LYS CB C 5 30.595 30.595 30.308 0.287 19198 1589 1 6 . 1 1 5 5 LYS H H 5 8.223 8.223 8.230 -0.007 19198 1590 1 6 . 1 1 6 6 LEU N N 6 124.432 124.432 121.886 2.546 19198 1591 1 6 . 1 1 6 6 LEU HA H 6 4.345 4.345 4.605 -0.260 19198 1592 1 6 . 1 1 6 6 LEU CA C 6 52.051 52.051 54.065 -2.014 19198 1593 1 6 . 1 1 6 6 LEU CB C 6 39.833 39.833 43.197 -3.364 19198 1594 1 6 . 1 1 6 6 LEU H H 6 8.258 8.258 8.127 0.131 19198 1595 1 6 . 1 1 7 7 MET N N 7 122.420 122.420 121.930 0.490 19198 1596 1 6 . 1 1 7 7 MET HA H 7 4.529 4.529 4.647 -0.118 19198 1597 1 6 . 1 1 7 7 MET CA C 7 52.288 52.288 53.225 -0.937 19198 1598 1 6 . 1 1 7 7 MET CB C 7 30.827 30.827 32.694 -1.867 19198 1599 1 6 . 1 1 7 7 MET H H 7 8.284 8.284 8.286 -0.002 19198 1600 1 6 . 1 1 8 8 LYS N N 8 124.204 124.204 121.400 2.804 19198 1601 1 6 . 1 1 8 8 LYS HA H 8 4.461 4.461 4.217 0.244 19198 1602 1 6 . 1 1 8 8 LYS CA C 8 53.986 53.986 56.936 -2.950 19198 1603 1 6 . 1 1 8 8 LYS CB C 8 31.771 31.771 32.906 -1.135 19198 1604 1 6 . 1 1 8 8 LYS H H 8 9.420 9.420 8.483 0.937 19198 1605 1 6 . 1 1 9 9 THR N N 9 113.488 113.488 116.784 -3.296 19198 1606 1 6 . 1 1 9 9 THR HA H 9 4.366 4.366 4.432 -0.066 19198 1607 1 6 . 1 1 9 9 THR CA C 9 57.964 57.964 61.661 -3.697 19198 1608 1 6 . 1 1 9 9 THR CB C 9 68.912 68.912 70.110 -1.198 19198 1609 1 6 . 1 1 9 9 THR H H 9 8.817 8.817 8.379 0.438 19198 1610 1 6 . 1 1 10 10 GLN N N 10 121.509 121.509 120.243 1.266 19198 1611 1 6 . 1 1 10 10 GLN HA H 10 3.012 3.012 3.430 -0.418 19198 1612 1 6 . 1 1 10 10 GLN CA C 10 57.666 57.666 59.608 -1.942 19198 1613 1 6 . 1 1 10 10 GLN CB C 10 24.850 24.850 27.964 -3.114 19198 1614 1 6 . 1 1 10 10 GLN H H 10 8.586 8.586 8.490 0.096 19198 1615 1 6 . 1 1 11 11 GLU N N 11 121.406 121.406 119.833 1.573 19198 1616 1 6 . 1 1 11 11 GLU HA H 11 3.801 3.801 3.941 -0.140 19198 1617 1 6 . 1 1 11 11 GLU CA C 11 57.739 57.739 59.760 -2.021 19198 1618 1 6 . 1 1 11 11 GLU CB C 11 26.332 26.332 28.850 -2.518 19198 1619 1 6 . 1 1 11 11 GLU H H 11 8.998 8.998 8.360 0.638 19198 1620 1 6 . 1 1 12 12 GLU N N 12 120.601 120.601 119.596 1.005 19198 1621 1 6 . 1 1 12 12 GLU HA H 12 3.864 3.864 4.028 -0.164 19198 1622 1 6 . 1 1 12 12 GLU CA C 12 56.542 56.542 59.558 -3.016 19198 1623 1 6 . 1 1 12 12 GLU CB C 12 27.796 27.796 29.595 -1.799 19198 1624 1 6 . 1 1 12 12 GLU H H 12 7.688 7.688 7.739 -0.051 19198 1625 1 6 . 1 1 13 13 LEU N N 13 117.867 117.867 119.104 -1.237 19198 1626 1 6 . 1 1 13 13 LEU HA H 13 3.755 3.755 4.085 -0.330 19198 1627 1 6 . 1 1 13 13 LEU CA C 13 54.855 54.855 58.033 -3.178 19198 1628 1 6 . 1 1 13 13 LEU CB C 13 40.140 40.140 41.814 -1.674 19198 1629 1 6 . 1 1 13 13 LEU H H 13 8.172 8.172 8.116 0.056 19198 1630 1 6 . 1 1 14 14 THR N N 14 115.136 115.136 115.790 -0.654 19198 1631 1 6 . 1 1 14 14 THR HA H 14 3.256 3.256 3.993 -0.737 19198 1632 1 6 . 1 1 14 14 THR CA C 14 64.768 64.768 67.043 -2.275 19198 1633 1 6 . 1 1 14 14 THR CB C 14 65.545 65.545 68.389 -2.844 19198 1634 1 6 . 1 1 14 14 THR H H 14 8.166 8.166 8.001 0.165 19198 1635 1 6 . 1 1 15 15 GLU N N 15 120.674 120.674 121.848 -1.174 19198 1636 1 6 . 1 1 15 15 GLU HA H 15 3.857 3.857 4.042 -0.185 19198 1637 1 6 . 1 1 15 15 GLU CA C 15 56.467 56.467 59.767 -3.300 19198 1638 1 6 . 1 1 15 15 GLU CB C 15 26.370 26.370 29.314 -2.944 19198 1639 1 6 . 1 1 15 15 GLU H H 15 7.504 7.504 8.457 -0.953 19198 1640 1 6 . 1 1 16 16 ILE N N 16 119.946 119.946 120.488 -0.542 19198 1641 1 6 . 1 1 16 16 ILE HA H 16 3.602 3.602 3.589 0.013 19198 1642 1 6 . 1 1 16 16 ILE CA C 16 62.428 62.428 65.710 -3.282 19198 1643 1 6 . 1 1 16 16 ILE CB C 16 35.913 35.913 37.712 -1.799 19198 1644 1 6 . 1 1 16 16 ILE H H 16 7.162 7.162 8.266 -1.104 19198 1645 1 6 . 1 1 17 17 VAL N N 17 120.087 120.087 118.535 1.552 19198 1646 1 6 . 1 1 17 17 VAL HA H 17 3.001 3.001 3.698 -0.697 19198 1647 1 6 . 1 1 17 17 VAL CA C 17 64.706 64.706 66.723 -2.017 19198 1648 1 6 . 1 1 17 17 VAL CB C 17 28.391 28.391 31.408 -3.017 19198 1649 1 6 . 1 1 17 17 VAL H H 17 7.539 7.539 7.653 -0.114 19198 1650 1 6 . 1 1 18 18 ARG N N 18 121.099 121.099 120.800 0.299 19198 1651 1 6 . 1 1 18 18 ARG HA H 18 3.438 3.438 4.070 -0.632 19198 1652 1 6 . 1 1 18 18 ARG CA C 18 57.834 57.834 59.970 -2.136 19198 1653 1 6 . 1 1 18 18 ARG CB C 18 27.388 27.388 30.073 -2.685 19198 1654 1 6 . 1 1 18 18 ARG H H 18 8.708 8.708 8.613 0.095 19198 1655 1 6 . 1 1 19 19 ASP N N 19 118.955 118.955 118.971 -0.016 19198 1656 1 6 . 1 1 19 19 ASP HA H 19 4.215 4.215 4.402 -0.187 19198 1657 1 6 . 1 1 19 19 ASP CA C 19 54.604 54.604 57.483 -2.878 19198 1658 1 6 . 1 1 19 19 ASP CB C 19 37.705 37.705 40.916 -3.211 19198 1659 1 6 . 1 1 19 19 ASP H H 19 8.286 8.286 8.350 -0.064 19198 1660 1 6 . 1 1 20 20 HIS N N 20 116.419 116.419 117.466 -1.047 19198 1661 1 6 . 1 1 20 20 HIS HA H 20 4.147 4.147 4.350 -0.203 19198 1662 1 6 . 1 1 20 20 HIS CA C 20 56.243 56.243 58.777 -2.534 19198 1663 1 6 . 1 1 20 20 HIS CB C 20 26.196 26.196 30.587 -4.391 19198 1664 1 6 . 1 1 20 20 HIS H H 20 7.532 7.532 7.789 -0.257 19198 1665 1 6 . 1 1 21 21 PHE N N 21 116.347 116.347 120.174 -3.827 19198 1666 1 6 . 1 1 21 21 PHE HA H 21 4.463 4.463 4.548 -0.085 19198 1667 1 6 . 1 1 21 21 PHE CA C 21 58.279 58.279 59.095 -0.816 19198 1668 1 6 . 1 1 21 21 PHE CB C 21 36.780 36.780 39.149 -2.369 19198 1669 1 6 . 1 1 21 21 PHE H H 21 7.983 7.983 8.778 -0.795 19198 1670 1 6 . 1 1 22 22 SER N N 22 116.555 116.555 115.995 0.560 19198 1671 1 6 . 1 1 22 22 SER HA H 22 4.541 4.541 4.290 0.251 19198 1672 1 6 . 1 1 22 22 SER CA C 22 59.013 59.013 61.598 -2.585 19198 1673 1 6 . 1 1 22 22 SER CB C 22 60.225 60.225 62.914 -2.689 19198 1674 1 6 . 1 1 22 22 SER H H 22 8.578 8.578 8.604 -0.026 19198 1675 1 6 . 1 1 23 23 ASP N N 23 118.564 118.564 120.560 -1.996 19198 1676 1 6 . 1 1 23 23 ASP HA H 23 4.581 4.581 4.766 -0.185 19198 1677 1 6 . 1 1 23 23 ASP CA C 23 52.796 52.796 55.196 -2.400 19198 1678 1 6 . 1 1 23 23 ASP CB C 23 38.460 38.460 41.501 -3.041 19198 1679 1 6 . 1 1 23 23 ASP H H 23 7.246 7.246 7.793 -0.547 19198 1680 1 6 . 1 1 24 24 MET N N 24 116.378 116.378 117.295 -0.917 19198 1681 1 6 . 1 1 24 24 MET HA H 24 4.207 4.207 4.726 -0.519 19198 1682 1 6 . 1 1 24 24 MET CA C 24 53.696 53.696 55.212 -1.516 19198 1683 1 6 . 1 1 24 24 MET CB C 24 32.101 32.101 34.252 -2.151 19198 1684 1 6 . 1 1 24 24 MET H H 24 7.958 7.958 7.960 -0.002 19198 1685 1 6 . 1 1 25 25 GLY N N 25 107.470 107.470 107.958 -0.488 19198 1686 1 6 . 1 1 25 25 GLY CA C 25 42.230 42.230 44.957 -2.727 19198 1687 1 6 . 1 1 25 25 GLY H H 25 7.475 7.475 7.593 -0.118 19198 1688 1 6 . 1 1 26 26 GLU N N 26 117.869 117.869 121.596 -3.727 19198 1689 1 6 . 1 1 26 26 GLU HA H 26 4.452 4.452 4.420 0.032 19198 1690 1 6 . 1 1 26 26 GLU CA C 26 52.851 52.851 54.611 -1.760 19198 1691 1 6 . 1 1 26 26 GLU CB C 26 27.412 27.412 30.388 -2.976 19198 1692 1 6 . 1 1 26 26 GLU H H 26 8.397 8.397 8.284 0.113 19198 1693 1 6 . 1 1 27 27 ILE N N 27 129.460 129.460 123.349 6.111 19198 1694 1 6 . 1 1 27 27 ILE HA H 27 3.206 3.206 3.008 0.198 19198 1695 1 6 . 1 1 27 27 ILE CA C 27 61.133 61.133 62.623 -1.490 19198 1696 1 6 . 1 1 27 27 ILE CB C 27 36.987 36.987 37.931 -0.944 19198 1697 1 6 . 1 1 27 27 ILE H H 27 8.980 8.980 8.304 0.676 19198 1698 1 6 . 1 1 28 28 ALA N N 28 131.875 131.875 130.455 1.420 19198 1699 1 6 . 1 1 28 28 ALA HA H 28 4.492 4.492 4.490 0.002 19198 1700 1 6 . 1 1 28 28 ALA CA C 28 50.949 50.949 52.959 -2.010 19198 1701 1 6 . 1 1 28 28 ALA CB C 28 17.101 17.101 20.591 -3.490 19198 1702 1 6 . 1 1 28 28 ALA H H 28 9.208 9.208 8.565 0.643 19198 1703 1 6 . 1 1 29 29 THR N N 29 112.070 112.070 114.466 -2.396 19198 1704 1 6 . 1 1 29 29 THR HA H 29 4.346 4.346 4.357 -0.011 19198 1705 1 6 . 1 1 29 29 THR CA C 29 58.963 58.963 61.841 -2.878 19198 1706 1 6 . 1 1 29 29 THR CB C 29 69.475 69.475 70.111 -0.636 19198 1707 1 6 . 1 1 29 29 THR H H 29 7.803 7.803 7.592 0.211 19198 1708 1 6 . 1 1 30 30 LEU N N 30 129.754 129.754 128.271 1.483 19198 1709 1 6 . 1 1 30 30 LEU HA H 30 4.878 4.878 4.386 0.492 19198 1710 1 6 . 1 1 30 30 LEU CA C 30 52.316 52.316 55.408 -3.092 19198 1711 1 6 . 1 1 30 30 LEU CB C 30 42.195 42.195 42.846 -0.651 19198 1712 1 6 . 1 1 30 30 LEU H H 30 8.388 8.388 8.043 0.345 19198 1713 1 6 . 1 1 31 31 TYR N N 31 124.642 124.642 124.651 -0.009 19198 1714 1 6 . 1 1 31 31 TYR HA H 31 5.108 5.108 4.874 0.234 19198 1715 1 6 . 1 1 31 31 TYR CA C 31 52.174 52.174 56.267 -4.093 19198 1716 1 6 . 1 1 31 31 TYR CB C 31 38.406 38.406 39.342 -0.936 19198 1717 1 6 . 1 1 31 31 TYR H H 31 8.837 8.837 8.640 0.197 19198 1718 1 6 . 1 1 32 32 VAL N N 32 121.165 121.165 120.913 0.252 19198 1719 1 6 . 1 1 32 32 VAL HA H 32 4.083 4.083 4.205 -0.122 19198 1720 1 6 . 1 1 32 32 VAL CA C 32 59.645 59.645 61.463 -1.818 19198 1721 1 6 . 1 1 32 32 VAL CB C 32 32.016 32.016 34.692 -2.676 19198 1722 1 6 . 1 1 32 32 VAL H H 32 8.684 8.684 8.155 0.529 19198 1723 1 6 . 1 1 33 33 GLN N N 33 126.911 126.911 125.194 1.717 19198 1724 1 6 . 1 1 33 33 GLN HA H 33 4.462 4.462 4.200 0.262 19198 1725 1 6 . 1 1 33 33 GLN CA C 33 54.266 54.266 56.867 -2.601 19198 1726 1 6 . 1 1 33 33 GLN CB C 33 28.717 28.717 29.456 -0.739 19198 1727 1 6 . 1 1 33 33 GLN H H 33 9.633 9.633 8.466 1.167 19198 1728 1 6 . 1 1 34 34 VAL N N 34 117.041 117.041 113.426 3.615 19198 1729 1 6 . 1 1 34 34 VAL HA H 34 4.313 4.313 4.325 -0.012 19198 1730 1 6 . 1 1 34 34 VAL CA C 34 59.270 59.270 60.914 -1.644 19198 1731 1 6 . 1 1 34 34 VAL CB C 34 33.725 33.725 32.183 1.542 19198 1732 1 6 . 1 1 34 34 VAL H H 34 7.840 7.840 7.397 0.443 19198 1733 1 6 . 1 1 35 35 TYR N N 35 128.263 128.263 127.250 1.013 19198 1734 1 6 . 1 1 35 35 TYR HA H 35 5.415 5.415 4.543 0.872 19198 1735 1 6 . 1 1 35 35 TYR CA C 35 52.594 52.594 56.747 -4.153 19198 1736 1 6 . 1 1 35 35 TYR CB C 35 38.583 38.583 38.197 0.386 19198 1737 1 6 . 1 1 35 35 TYR H H 35 8.580 8.580 8.435 0.145 19198 1738 1 6 . 1 1 36 36 GLU N N 36 129.574 129.574 129.097 0.477 19198 1739 1 6 . 1 1 36 36 GLU HA H 36 4.403 4.403 4.181 0.222 19198 1740 1 6 . 1 1 36 36 GLU CA C 36 51.421 51.421 55.870 -4.449 19198 1741 1 6 . 1 1 36 36 GLU CB C 36 28.035 28.035 30.223 -2.188 19198 1742 1 6 . 1 1 36 36 GLU H H 36 8.118 8.118 7.825 0.293 19198 1743 1 6 . 1 1 37 37 SER N N 37 121.805 121.805 119.758 2.047 19198 1744 1 6 . 1 1 37 37 SER HA H 37 3.754 3.754 4.323 -0.569 19198 1745 1 6 . 1 1 37 37 SER CA C 37 57.817 57.817 58.502 -0.685 19198 1746 1 6 . 1 1 37 37 SER CB C 37 60.041 60.041 64.496 -4.455 19198 1747 1 6 . 1 1 37 37 SER H H 37 8.312 8.312 8.543 -0.231 19198 1748 1 6 . 1 1 38 38 SER N N 38 116.337 116.337 116.697 -0.360 19198 1749 1 6 . 1 1 38 38 SER HA H 38 4.214 4.214 4.540 -0.326 19198 1750 1 6 . 1 1 38 38 SER CA C 38 58.237 58.237 59.397 -1.160 19198 1751 1 6 . 1 1 38 38 SER CB C 38 60.243 60.243 64.203 -3.960 19198 1752 1 6 . 1 1 38 38 SER H H 38 8.389 8.389 8.421 -0.032 19198 1753 1 6 . 1 1 39 39 LEU N N 39 119.070 119.070 119.353 -0.283 19198 1754 1 6 . 1 1 39 39 LEU HA H 39 4.414 4.414 4.542 -0.128 19198 1755 1 6 . 1 1 39 39 LEU CA C 39 51.365 51.365 53.674 -2.309 19198 1756 1 6 . 1 1 39 39 LEU CB C 39 40.504 40.504 44.560 -4.056 19198 1757 1 6 . 1 1 39 39 LEU H H 39 6.905 6.905 7.465 -0.560 19198 1758 1 6 . 1 1 40 40 GLU N N 40 118.837 118.837 119.338 -0.501 19198 1759 1 6 . 1 1 40 40 GLU HA H 40 3.781 3.781 4.631 -0.850 19198 1760 1 6 . 1 1 40 40 GLU CA C 40 54.621 54.621 55.841 -1.220 19198 1761 1 6 . 1 1 40 40 GLU CB C 40 26.307 26.307 30.044 -3.737 19198 1762 1 6 . 1 1 40 40 GLU H H 40 7.814 7.814 8.488 -0.674 19198 1763 1 6 . 1 1 41 41 SER N N 41 110.546 110.546 116.977 -6.431 19198 1764 1 6 . 1 1 41 41 SER HA H 41 5.730 5.730 5.129 0.601 19198 1765 1 6 . 1 1 41 41 SER CA C 41 52.696 52.696 57.602 -4.906 19198 1766 1 6 . 1 1 41 41 SER CB C 41 63.820 63.820 65.661 -1.841 19198 1767 1 6 . 1 1 41 41 SER H H 41 7.452 7.452 8.371 -0.919 19198 1768 1 6 . 1 1 42 42 LEU N N 42 124.649 124.649 128.603 -3.954 19198 1769 1 6 . 1 1 42 42 LEU HA H 42 5.384 5.384 4.857 0.527 19198 1770 1 6 . 1 1 42 42 LEU CA C 42 51.231 51.231 54.249 -3.018 19198 1771 1 6 . 1 1 42 42 LEU CB C 42 46.451 46.451 45.095 1.356 19198 1772 1 6 . 1 1 42 42 LEU H H 42 9.281 9.281 8.780 0.501 19198 1773 1 6 . 1 1 43 43 VAL N N 43 125.093 125.093 124.203 0.890 19198 1774 1 6 . 1 1 43 43 VAL HA H 43 4.629 4.629 5.087 -0.458 19198 1775 1 6 . 1 1 43 43 VAL CA C 43 58.185 58.185 60.231 -2.046 19198 1776 1 6 . 1 1 43 43 VAL CB C 43 33.136 33.136 35.258 -2.122 19198 1777 1 6 . 1 1 43 43 VAL H H 43 8.849 8.849 8.033 0.816 19198 1778 1 6 . 1 1 44 44 GLY N N 44 114.807 114.807 110.150 4.657 19198 1779 1 6 . 1 1 44 44 GLY CA C 44 43.685 43.685 45.284 -1.599 19198 1780 1 6 . 1 1 44 44 GLY H H 44 7.156 7.156 8.336 -1.180 19198 1781 1 6 . 1 1 45 45 GLY N N 45 117.443 117.443 110.113 7.330 19198 1782 1 6 . 1 1 45 45 GLY CA C 45 43.268 43.268 45.699 -2.431 19198 1783 1 6 . 1 1 45 45 GLY H H 45 8.582 8.582 7.709 0.873 19198 1784 1 6 . 1 1 46 46 VAL N N 46 117.075 117.075 115.834 1.241 19198 1785 1 6 . 1 1 46 46 VAL HA H 46 4.726 4.726 4.586 0.140 19198 1786 1 6 . 1 1 46 46 VAL CA C 46 56.843 56.843 60.325 -3.482 19198 1787 1 6 . 1 1 46 46 VAL CB C 46 33.568 33.568 32.687 0.881 19198 1788 1 6 . 1 1 46 46 VAL H H 46 8.875 8.875 8.891 -0.016 19198 1789 1 6 . 1 1 47 47 ILE N N 47 125.899 125.899 127.144 -1.245 19198 1790 1 6 . 1 1 47 47 ILE HA H 47 4.778 4.778 4.232 0.546 19198 1791 1 6 . 1 1 47 47 ILE CB C 47 37.664 37.664 38.661 -0.997 19198 1792 1 6 . 1 1 47 47 ILE H H 47 8.765 8.765 8.034 0.731 19198 1793 1 6 . 1 1 48 48 PHE N N 48 126.624 126.624 125.559 1.065 19198 1794 1 6 . 1 1 48 48 PHE HA H 48 4.777 4.777 4.702 0.075 19198 1795 1 6 . 1 1 48 48 PHE CA C 48 56.162 56.162 57.025 -0.863 19198 1796 1 6 . 1 1 48 48 PHE CB C 48 38.742 38.742 42.969 -4.227 19198 1797 1 6 . 1 1 48 48 PHE H H 48 9.269 9.269 8.428 0.841 19198 1798 1 6 . 1 1 49 49 GLU N N 49 123.550 123.550 121.510 2.040 19198 1799 1 6 . 1 1 49 49 GLU HA H 49 4.021 4.021 4.115 -0.094 19198 1800 1 6 . 1 1 49 49 GLU CA C 49 56.574 56.574 59.158 -2.584 19198 1801 1 6 . 1 1 49 49 GLU CB C 49 26.939 26.939 29.697 -2.757 19198 1802 1 6 . 1 1 49 49 GLU H H 49 9.331 9.331 8.394 0.937 19198 1803 1 6 . 1 1 50 50 ASP N N 50 113.383 113.383 116.006 -2.623 19198 1804 1 6 . 1 1 50 50 ASP HA H 50 4.443 4.443 4.804 -0.361 19198 1805 1 6 . 1 1 50 50 ASP CA C 50 51.307 51.307 53.478 -2.171 19198 1806 1 6 . 1 1 50 50 ASP CB C 50 38.062 38.062 41.443 -3.381 19198 1807 1 6 . 1 1 50 50 ASP H H 50 7.674 7.674 8.136 -0.462 19198 1808 1 6 . 1 1 51 51 GLY N N 51 107.745 107.745 107.949 -0.204 19198 1809 1 6 . 1 1 51 51 GLY CA C 51 42.245 42.245 45.267 -3.022 19198 1810 1 6 . 1 1 51 51 GLY H H 51 7.884 7.884 7.643 0.241 19198 1811 1 6 . 1 1 52 52 ARG N N 52 120.713 120.713 121.105 -0.392 19198 1812 1 6 . 1 1 52 52 ARG HA H 52 4.292 4.292 3.893 0.399 19198 1813 1 6 . 1 1 52 52 ARG CA C 52 55.314 55.314 55.621 -0.307 19198 1814 1 6 . 1 1 52 52 ARG CB C 52 29.759 29.759 28.623 1.136 19198 1815 1 6 . 1 1 52 52 ARG H H 52 7.880 7.880 8.226 -0.346 19198 1816 1 6 . 1 1 53 53 HIS N N 53 120.216 120.216 123.548 -3.332 19198 1817 1 6 . 1 1 53 53 HIS HA H 53 5.671 5.671 4.847 0.824 19198 1818 1 6 . 1 1 53 53 HIS CA C 53 50.579 50.579 54.515 -3.936 19198 1819 1 6 . 1 1 53 53 HIS CB C 53 29.165 29.165 31.145 -1.980 19198 1820 1 6 . 1 1 53 53 HIS H H 53 8.961 8.961 7.673 1.288 19198 1821 1 6 . 1 1 54 54 TYR N N 54 121.480 121.480 126.432 -4.952 19198 1822 1 6 . 1 1 54 54 TYR HA H 54 5.574 5.574 5.020 0.554 19198 1823 1 6 . 1 1 54 54 TYR CA C 54 53.397 53.397 56.194 -2.796 19198 1824 1 6 . 1 1 54 54 TYR CB C 54 39.788 39.788 42.799 -3.011 19198 1825 1 6 . 1 1 54 54 TYR H H 54 9.259 9.259 8.493 0.766 19198 1826 1 6 . 1 1 55 55 THR N N 55 113.818 113.818 117.180 -3.362 19198 1827 1 6 . 1 1 55 55 THR HA H 55 5.013 5.013 4.667 0.346 19198 1828 1 6 . 1 1 55 55 THR CA C 55 57.994 57.994 61.229 -3.235 19198 1829 1 6 . 1 1 55 55 THR CB C 55 67.733 67.733 67.781 -0.048 19198 1830 1 6 . 1 1 55 55 THR H H 55 9.242 9.242 8.929 0.313 19198 1831 1 6 . 1 1 56 56 PHE HA H 56 5.987 5.987 4.969 1.018 19198 1832 1 6 . 1 1 56 56 PHE CA C 56 53.946 53.946 58.518 -4.572 19198 1833 1 6 . 1 1 56 56 PHE CB C 56 42.416 42.416 40.081 2.335 19198 1834 1 6 . 1 1 57 57 VAL N N 57 120.407 120.407 124.848 -4.441 19198 1835 1 6 . 1 1 57 57 VAL HA H 57 4.683 4.683 4.832 -0.149 19198 1836 1 6 . 1 1 57 57 VAL CA C 57 59.696 59.696 60.570 -0.874 19198 1837 1 6 . 1 1 57 57 VAL CB C 57 33.227 33.227 34.560 -1.333 19198 1838 1 6 . 1 1 57 57 VAL H H 57 9.076 9.076 8.495 0.581 19198 1839 1 6 . 1 1 58 58 TYR N N 58 131.325 131.325 130.058 1.267 19198 1840 1 6 . 1 1 58 58 TYR HA H 58 5.504 5.504 5.313 0.191 19198 1841 1 6 . 1 1 58 58 TYR CA C 58 53.883 53.883 55.249 -1.366 19198 1842 1 6 . 1 1 58 58 TYR CB C 58 38.558 38.558 41.716 -3.158 19198 1843 1 6 . 1 1 58 58 TYR H H 58 9.821 9.821 9.319 0.502 19198 1844 1 6 . 1 1 59 59 GLU N N 59 123.904 123.904 126.996 -3.092 19198 1845 1 6 . 1 1 59 59 GLU HA H 59 4.519 4.519 4.466 0.053 19198 1846 1 6 . 1 1 59 59 GLU CA C 59 52.718 52.718 54.831 -2.113 19198 1847 1 6 . 1 1 59 59 GLU CB C 59 29.084 29.084 30.475 -1.391 19198 1848 1 6 . 1 1 59 59 GLU H H 59 8.182 8.182 8.549 -0.367 19198 1849 1 6 . 1 1 60 60 ASN N N 60 123.227 123.227 124.163 -0.936 19198 1850 1 6 . 1 1 60 60 ASN HA H 60 4.247 4.247 4.074 0.173 19198 1851 1 6 . 1 1 60 60 ASN CA C 60 51.876 51.876 56.376 -4.500 19198 1852 1 6 . 1 1 60 60 ASN CB C 60 34.949 34.949 37.983 -3.034 19198 1853 1 6 . 1 1 60 60 ASN H H 60 9.566 9.566 8.337 1.229 19198 1854 1 6 . 1 1 61 61 GLU N N 61 107.647 107.647 113.749 -6.102 19198 1855 1 6 . 1 1 61 61 GLU HA H 61 3.500 3.500 4.466 -0.966 19198 1856 1 6 . 1 1 61 61 GLU CA C 61 54.765 54.765 55.884 -1.119 19198 1857 1 6 . 1 1 61 61 GLU CB C 61 25.167 25.167 31.689 -6.522 19198 1858 1 6 . 1 1 61 61 GLU H H 61 8.387 8.387 8.214 0.173 19198 1859 1 6 . 1 1 62 62 ASP N N 62 119.350 119.350 122.982 -3.632 19198 1860 1 6 . 1 1 62 62 ASP HA H 62 4.724 4.724 4.734 -0.010 19198 1861 1 6 . 1 1 62 62 ASP CB C 62 41.251 41.251 42.843 -1.592 19198 1862 1 6 . 1 1 62 62 ASP H H 62 7.314 7.314 7.994 -0.680 19198 1863 1 6 . 1 1 63 63 LEU N N 63 123.998 123.998 125.724 -1.726 19198 1864 1 6 . 1 1 63 63 LEU HA H 63 5.037 5.037 5.008 0.029 19198 1865 1 6 . 1 1 63 63 LEU CA C 63 51.075 51.075 53.739 -2.664 19198 1866 1 6 . 1 1 63 63 LEU CB C 63 42.312 42.312 43.394 -1.082 19198 1867 1 6 . 1 1 63 63 LEU H H 63 8.226 8.226 8.459 -0.233 19198 1868 1 6 . 1 1 64 64 VAL N N 64 127.167 127.167 123.399 3.768 19198 1869 1 6 . 1 1 64 64 VAL HA H 64 4.361 4.361 4.053 0.308 19198 1870 1 6 . 1 1 64 64 VAL CA C 64 58.470 58.470 59.251 -0.781 19198 1871 1 6 . 1 1 64 64 VAL CB C 64 31.939 31.939 33.358 -1.419 19198 1872 1 6 . 1 1 64 64 VAL H H 64 8.915 8.915 8.742 0.173 19198 1873 1 6 . 1 1 65 65 TYR N N 65 121.421 121.421 116.667 4.754 19198 1874 1 6 . 1 1 65 65 TYR HA H 65 5.893 5.893 5.668 0.225 19198 1875 1 6 . 1 1 65 65 TYR CA C 65 53.115 53.115 55.396 -2.281 19198 1876 1 6 . 1 1 65 65 TYR CB C 65 39.948 39.948 41.037 -1.089 19198 1877 1 6 . 1 1 65 65 TYR H H 65 8.207 8.207 7.841 0.366 19198 1878 1 6 . 1 1 66 66 GLU N N 66 117.842 117.842 120.966 -3.124 19198 1879 1 6 . 1 1 66 66 GLU HA H 66 4.793 4.793 4.885 -0.092 19198 1880 1 6 . 1 1 66 66 GLU CB C 66 30.949 30.949 33.294 -2.345 19198 1881 1 6 . 1 1 66 66 GLU H H 66 8.875 8.875 8.791 0.084 19198 1882 1 6 . 1 1 67 67 GLU N N 67 125.220 125.220 120.185 5.035 19198 1883 1 6 . 1 1 67 67 GLU HA H 67 4.084 4.084 4.855 -0.771 19198 1884 1 6 . 1 1 67 67 GLU CA C 67 54.157 54.157 54.822 -0.665 19198 1885 1 6 . 1 1 67 67 GLU CB C 67 27.697 27.697 33.036 -5.339 19198 1886 1 6 . 1 1 67 67 GLU H H 67 9.033 9.033 8.638 0.395 19198 1887 1 6 . 1 1 68 68 GLU N N 68 127.058 127.058 123.289 3.769 19198 1888 1 6 . 1 1 68 68 GLU HA H 68 4.358 4.358 4.396 -0.038 19198 1889 1 6 . 1 1 68 68 GLU CA C 68 53.193 53.193 56.233 -3.041 19198 1890 1 6 . 1 1 68 68 GLU CB C 68 28.405 28.405 29.205 -0.800 19198 1891 1 6 . 1 1 68 68 GLU H H 68 8.546 8.546 8.204 0.342 19198 1892 1 6 . 1 1 69 69 VAL N N 69 125.782 125.782 121.906 3.876 19198 1893 1 6 . 1 1 69 69 VAL HA H 69 4.046 4.046 4.207 -0.161 19198 1894 1 6 . 1 1 69 69 VAL CA C 69 59.775 59.775 61.513 -1.738 19198 1895 1 6 . 1 1 69 69 VAL CB C 69 30.174 30.174 32.719 -2.545 19198 1896 1 6 . 1 1 69 69 VAL H H 69 8.422 8.422 7.645 0.777 19198 1897 1 7 . 1 1 3 3 ASP N N 3 120.996 120.996 119.491 1.505 19198 1898 1 7 . 1 1 3 3 ASP H H 3 8.416 8.416 8.713 -0.297 19198 1899 1 7 . 1 1 4 4 ARG N N 4 120.957 120.957 120.249 0.708 19198 1900 1 7 . 1 1 4 4 ARG H H 4 8.187 8.187 8.008 0.179 19198 1901 1 7 . 1 1 5 5 LYS N N 5 122.746 122.746 122.812 -0.066 19198 1902 1 7 . 1 1 5 5 LYS HA H 5 4.209 4.209 4.645 -0.436 19198 1903 1 7 . 1 1 5 5 LYS CA C 5 53.562 53.562 55.505 -1.943 19198 1904 1 7 . 1 1 5 5 LYS CB C 5 30.595 30.595 34.695 -4.100 19198 1905 1 7 . 1 1 5 5 LYS H H 5 8.223 8.223 8.113 0.110 19198 1906 1 7 . 1 1 6 6 LEU N N 6 124.432 124.432 123.359 1.073 19198 1907 1 7 . 1 1 6 6 LEU HA H 6 4.345 4.345 4.624 -0.279 19198 1908 1 7 . 1 1 6 6 LEU CA C 6 52.051 52.051 54.218 -2.167 19198 1909 1 7 . 1 1 6 6 LEU CB C 6 39.833 39.833 42.670 -2.837 19198 1910 1 7 . 1 1 6 6 LEU H H 6 8.258 8.258 8.370 -0.112 19198 1911 1 7 . 1 1 7 7 MET N N 7 122.420 122.420 120.398 2.022 19198 1912 1 7 . 1 1 7 7 MET HA H 7 4.529 4.529 4.521 0.008 19198 1913 1 7 . 1 1 7 7 MET CA C 7 52.288 52.288 54.421 -2.133 19198 1914 1 7 . 1 1 7 7 MET CB C 7 30.827 30.827 32.871 -2.044 19198 1915 1 7 . 1 1 7 7 MET H H 7 8.284 8.284 8.353 -0.069 19198 1916 1 7 . 1 1 8 8 LYS N N 8 124.204 124.204 119.932 4.272 19198 1917 1 7 . 1 1 8 8 LYS HA H 8 4.461 4.461 4.362 0.099 19198 1918 1 7 . 1 1 8 8 LYS CA C 8 53.986 53.986 56.718 -2.732 19198 1919 1 7 . 1 1 8 8 LYS CB C 8 31.771 31.771 33.092 -1.321 19198 1920 1 7 . 1 1 8 8 LYS H H 8 9.420 9.420 8.450 0.970 19198 1921 1 7 . 1 1 9 9 THR N N 9 113.488 113.488 109.975 3.513 19198 1922 1 7 . 1 1 9 9 THR HA H 9 4.366 4.366 4.877 -0.511 19198 1923 1 7 . 1 1 9 9 THR CA C 9 57.964 57.964 59.186 -1.222 19198 1924 1 7 . 1 1 9 9 THR CB C 9 68.912 68.912 72.509 -3.597 19198 1925 1 7 . 1 1 9 9 THR H H 9 8.817 8.817 8.289 0.528 19198 1926 1 7 . 1 1 10 10 GLN N N 10 121.509 121.509 120.487 1.022 19198 1927 1 7 . 1 1 10 10 GLN HA H 10 3.012 3.012 3.192 -0.180 19198 1928 1 7 . 1 1 10 10 GLN CA C 10 57.666 57.666 59.243 -1.577 19198 1929 1 7 . 1 1 10 10 GLN CB C 10 24.850 24.850 27.908 -3.058 19198 1930 1 7 . 1 1 10 10 GLN H H 10 8.586 8.586 8.408 0.178 19198 1931 1 7 . 1 1 11 11 GLU N N 11 121.406 121.406 119.170 2.236 19198 1932 1 7 . 1 1 11 11 GLU HA H 11 3.801 3.801 3.893 -0.092 19198 1933 1 7 . 1 1 11 11 GLU CA C 11 57.739 57.739 59.644 -1.905 19198 1934 1 7 . 1 1 11 11 GLU CB C 11 26.332 26.332 29.091 -2.759 19198 1935 1 7 . 1 1 11 11 GLU H H 11 8.998 8.998 7.961 1.037 19198 1936 1 7 . 1 1 12 12 GLU N N 12 120.601 120.601 119.990 0.611 19198 1937 1 7 . 1 1 12 12 GLU HA H 12 3.864 3.864 4.197 -0.333 19198 1938 1 7 . 1 1 12 12 GLU CA C 12 56.542 56.542 59.126 -2.584 19198 1939 1 7 . 1 1 12 12 GLU CB C 12 27.796 27.796 29.641 -1.845 19198 1940 1 7 . 1 1 12 12 GLU H H 12 7.688 7.688 7.506 0.182 19198 1941 1 7 . 1 1 13 13 LEU N N 13 117.867 117.867 119.019 -1.152 19198 1942 1 7 . 1 1 13 13 LEU HA H 13 3.755 3.755 4.124 -0.369 19198 1943 1 7 . 1 1 13 13 LEU CA C 13 54.855 54.855 57.718 -2.863 19198 1944 1 7 . 1 1 13 13 LEU CB C 13 40.140 40.140 40.665 -0.525 19198 1945 1 7 . 1 1 13 13 LEU H H 13 8.172 8.172 8.348 -0.176 19198 1946 1 7 . 1 1 14 14 THR N N 14 115.136 115.136 116.326 -1.190 19198 1947 1 7 . 1 1 14 14 THR HA H 14 3.256 3.256 3.953 -0.697 19198 1948 1 7 . 1 1 14 14 THR CA C 14 64.768 64.768 67.287 -2.519 19198 1949 1 7 . 1 1 14 14 THR CB C 14 65.545 65.545 68.629 -3.083 19198 1950 1 7 . 1 1 14 14 THR H H 14 8.166 8.166 7.653 0.513 19198 1951 1 7 . 1 1 15 15 GLU N N 15 120.674 120.674 122.375 -1.701 19198 1952 1 7 . 1 1 15 15 GLU HA H 15 3.857 3.857 3.926 -0.069 19198 1953 1 7 . 1 1 15 15 GLU CA C 15 56.467 56.467 59.662 -3.195 19198 1954 1 7 . 1 1 15 15 GLU CB C 15 26.370 26.370 29.425 -3.055 19198 1955 1 7 . 1 1 15 15 GLU H H 15 7.504 7.504 8.311 -0.807 19198 1956 1 7 . 1 1 16 16 ILE N N 16 119.946 119.946 119.887 0.059 19198 1957 1 7 . 1 1 16 16 ILE HA H 16 3.602 3.602 3.481 0.121 19198 1958 1 7 . 1 1 16 16 ILE CA C 16 62.428 62.428 65.452 -3.024 19198 1959 1 7 . 1 1 16 16 ILE CB C 16 35.913 35.913 37.757 -1.843 19198 1960 1 7 . 1 1 16 16 ILE H H 16 7.162 7.162 8.458 -1.296 19198 1961 1 7 . 1 1 17 17 VAL N N 17 120.087 120.087 119.059 1.028 19198 1962 1 7 . 1 1 17 17 VAL HA H 17 3.001 3.001 3.932 -0.931 19198 1963 1 7 . 1 1 17 17 VAL CA C 17 64.706 64.706 66.469 -1.763 19198 1964 1 7 . 1 1 17 17 VAL CB C 17 28.391 28.391 31.452 -3.061 19198 1965 1 7 . 1 1 17 17 VAL H H 17 7.539 7.539 7.453 0.086 19198 1966 1 7 . 1 1 18 18 ARG N N 18 121.099 121.099 120.699 0.400 19198 1967 1 7 . 1 1 18 18 ARG HA H 18 3.438 3.438 3.925 -0.487 19198 1968 1 7 . 1 1 18 18 ARG CA C 18 57.834 57.834 60.305 -2.471 19198 1969 1 7 . 1 1 18 18 ARG CB C 18 27.388 27.388 30.103 -2.715 19198 1970 1 7 . 1 1 18 18 ARG H H 18 8.708 8.708 8.564 0.144 19198 1971 1 7 . 1 1 19 19 ASP N N 19 118.955 118.955 117.537 1.418 19198 1972 1 7 . 1 1 19 19 ASP HA H 19 4.215 4.215 4.415 -0.200 19198 1973 1 7 . 1 1 19 19 ASP CA C 19 54.604 54.604 56.779 -2.175 19198 1974 1 7 . 1 1 19 19 ASP CB C 19 37.705 37.705 40.702 -2.997 19198 1975 1 7 . 1 1 19 19 ASP H H 19 8.286 8.286 8.317 -0.031 19198 1976 1 7 . 1 1 20 20 HIS N N 20 116.419 116.419 117.252 -0.833 19198 1977 1 7 . 1 1 20 20 HIS HA H 20 4.147 4.147 4.381 -0.234 19198 1978 1 7 . 1 1 20 20 HIS CA C 20 56.243 56.243 59.094 -2.851 19198 1979 1 7 . 1 1 20 20 HIS CB C 20 26.196 26.196 29.974 -3.778 19198 1980 1 7 . 1 1 20 20 HIS H H 20 7.532 7.532 8.008 -0.476 19198 1981 1 7 . 1 1 21 21 PHE N N 21 116.347 116.347 119.147 -2.800 19198 1982 1 7 . 1 1 21 21 PHE HA H 21 4.463 4.463 4.721 -0.258 19198 1983 1 7 . 1 1 21 21 PHE CA C 21 58.279 58.279 57.875 0.404 19198 1984 1 7 . 1 1 21 21 PHE CB C 21 36.780 36.780 39.797 -3.017 19198 1985 1 7 . 1 1 21 21 PHE H H 21 7.983 7.983 7.881 0.102 19198 1986 1 7 . 1 1 22 22 SER N N 22 116.555 116.555 115.793 0.762 19198 1987 1 7 . 1 1 22 22 SER HA H 22 4.541 4.541 4.342 0.199 19198 1988 1 7 . 1 1 22 22 SER CA C 22 59.013 59.013 60.621 -1.608 19198 1989 1 7 . 1 1 22 22 SER CB C 22 60.225 60.225 63.103 -2.878 19198 1990 1 7 . 1 1 22 22 SER H H 22 8.578 8.578 8.556 0.022 19198 1991 1 7 . 1 1 23 23 ASP N N 23 118.564 118.564 121.000 -2.436 19198 1992 1 7 . 1 1 23 23 ASP HA H 23 4.581 4.581 4.833 -0.252 19198 1993 1 7 . 1 1 23 23 ASP CA C 23 52.796 52.796 55.583 -2.787 19198 1994 1 7 . 1 1 23 23 ASP CB C 23 38.460 38.460 41.196 -2.736 19198 1995 1 7 . 1 1 23 23 ASP H H 23 7.246 7.246 8.436 -1.190 19198 1996 1 7 . 1 1 24 24 MET N N 24 116.378 116.378 117.029 -0.651 19198 1997 1 7 . 1 1 24 24 MET HA H 24 4.207 4.207 4.734 -0.527 19198 1998 1 7 . 1 1 24 24 MET CA C 24 53.696 53.696 55.654 -1.958 19198 1999 1 7 . 1 1 24 24 MET CB C 24 32.101 32.101 34.367 -2.266 19198 2000 1 7 . 1 1 24 24 MET H H 24 7.958 7.958 8.138 -0.180 19198 2001 1 7 . 1 1 25 25 GLY N N 25 107.470 107.470 109.203 -1.733 19198 2002 1 7 . 1 1 25 25 GLY CA C 25 42.230 42.230 44.785 -2.555 19198 2003 1 7 . 1 1 25 25 GLY H H 25 7.475 7.475 7.669 -0.194 19198 2004 1 7 . 1 1 26 26 GLU N N 26 117.869 117.869 121.002 -3.133 19198 2005 1 7 . 1 1 26 26 GLU HA H 26 4.452 4.452 4.221 0.231 19198 2006 1 7 . 1 1 26 26 GLU CA C 26 52.851 52.851 55.320 -2.469 19198 2007 1 7 . 1 1 26 26 GLU CB C 26 27.412 27.412 29.555 -2.143 19198 2008 1 7 . 1 1 26 26 GLU H H 26 8.397 8.397 8.381 0.016 19198 2009 1 7 . 1 1 27 27 ILE N N 27 129.460 129.460 124.413 5.047 19198 2010 1 7 . 1 1 27 27 ILE HA H 27 3.206 3.206 3.097 0.109 19198 2011 1 7 . 1 1 27 27 ILE CA C 27 61.133 61.133 62.298 -1.165 19198 2012 1 7 . 1 1 27 27 ILE CB C 27 36.987 36.987 37.167 -0.180 19198 2013 1 7 . 1 1 27 27 ILE H H 27 8.980 8.980 7.746 1.234 19198 2014 1 7 . 1 1 28 28 ALA N N 28 131.875 131.875 132.069 -0.194 19198 2015 1 7 . 1 1 28 28 ALA HA H 28 4.492 4.492 4.239 0.253 19198 2016 1 7 . 1 1 28 28 ALA CA C 28 50.949 50.949 54.237 -3.288 19198 2017 1 7 . 1 1 28 28 ALA CB C 28 17.101 17.101 19.613 -2.512 19198 2018 1 7 . 1 1 28 28 ALA H H 28 9.208 9.208 8.722 0.486 19198 2019 1 7 . 1 1 29 29 THR N N 29 112.070 112.070 115.007 -2.937 19198 2020 1 7 . 1 1 29 29 THR HA H 29 4.346 4.346 4.514 -0.168 19198 2021 1 7 . 1 1 29 29 THR CA C 29 58.963 58.963 62.033 -3.070 19198 2022 1 7 . 1 1 29 29 THR CB C 29 69.475 69.475 70.262 -0.787 19198 2023 1 7 . 1 1 29 29 THR H H 29 7.803 7.803 8.077 -0.274 19198 2024 1 7 . 1 1 30 30 LEU N N 30 129.754 129.754 129.566 0.188 19198 2025 1 7 . 1 1 30 30 LEU HA H 30 4.878 4.878 4.815 0.063 19198 2026 1 7 . 1 1 30 30 LEU CA C 30 52.316 52.316 54.646 -2.330 19198 2027 1 7 . 1 1 30 30 LEU CB C 30 42.195 42.195 43.072 -0.877 19198 2028 1 7 . 1 1 30 30 LEU H H 30 8.388 8.388 8.669 -0.281 19198 2029 1 7 . 1 1 31 31 TYR N N 31 124.642 124.642 123.827 0.815 19198 2030 1 7 . 1 1 31 31 TYR HA H 31 5.108 5.108 4.913 0.195 19198 2031 1 7 . 1 1 31 31 TYR CA C 31 52.174 52.174 55.816 -3.642 19198 2032 1 7 . 1 1 31 31 TYR CB C 31 38.406 38.406 39.327 -0.921 19198 2033 1 7 . 1 1 31 31 TYR H H 31 8.837 8.837 8.486 0.351 19198 2034 1 7 . 1 1 32 32 VAL N N 32 121.165 121.165 120.503 0.662 19198 2035 1 7 . 1 1 32 32 VAL HA H 32 4.083 4.083 4.209 -0.126 19198 2036 1 7 . 1 1 32 32 VAL CA C 32 59.645 59.645 61.488 -1.843 19198 2037 1 7 . 1 1 32 32 VAL CB C 32 32.016 32.016 34.565 -2.549 19198 2038 1 7 . 1 1 32 32 VAL H H 32 8.684 8.684 8.265 0.419 19198 2039 1 7 . 1 1 33 33 GLN N N 33 126.911 126.911 126.478 0.433 19198 2040 1 7 . 1 1 33 33 GLN HA H 33 4.462 4.462 4.331 0.131 19198 2041 1 7 . 1 1 33 33 GLN CA C 33 54.266 54.266 56.708 -2.442 19198 2042 1 7 . 1 1 33 33 GLN CB C 33 28.717 28.717 29.883 -1.166 19198 2043 1 7 . 1 1 33 33 GLN H H 33 9.633 9.633 8.674 0.959 19198 2044 1 7 . 1 1 34 34 VAL N N 34 117.041 117.041 117.768 -0.727 19198 2045 1 7 . 1 1 34 34 VAL HA H 34 4.313 4.313 4.313 0.000 19198 2046 1 7 . 1 1 34 34 VAL CA C 34 59.270 59.270 61.370 -2.100 19198 2047 1 7 . 1 1 34 34 VAL CB C 34 33.725 33.725 34.142 -0.417 19198 2048 1 7 . 1 1 34 34 VAL H H 34 7.840 7.840 7.546 0.294 19198 2049 1 7 . 1 1 35 35 TYR N N 35 128.263 128.263 129.130 -0.867 19198 2050 1 7 . 1 1 35 35 TYR HA H 35 5.415 5.415 5.126 0.289 19198 2051 1 7 . 1 1 35 35 TYR CA C 35 52.594 52.594 54.997 -2.403 19198 2052 1 7 . 1 1 35 35 TYR CB C 35 38.583 38.583 39.688 -1.105 19198 2053 1 7 . 1 1 35 35 TYR H H 35 8.580 8.580 8.569 0.011 19198 2054 1 7 . 1 1 36 36 GLU N N 36 129.574 129.574 128.976 0.598 19198 2055 1 7 . 1 1 36 36 GLU HA H 36 4.403 4.403 4.240 0.163 19198 2056 1 7 . 1 1 36 36 GLU CA C 36 51.421 51.421 55.705 -4.284 19198 2057 1 7 . 1 1 36 36 GLU CB C 36 28.035 28.035 29.100 -1.065 19198 2058 1 7 . 1 1 36 36 GLU H H 36 8.118 8.118 8.572 -0.454 19198 2059 1 7 . 1 1 37 37 SER N N 37 121.805 121.805 120.498 1.307 19198 2060 1 7 . 1 1 37 37 SER HA H 37 3.754 3.754 4.051 -0.297 19198 2061 1 7 . 1 1 37 37 SER CA C 37 57.817 57.817 58.927 -1.110 19198 2062 1 7 . 1 1 37 37 SER CB C 37 60.041 60.041 63.041 -3.000 19198 2063 1 7 . 1 1 37 37 SER H H 37 8.312 8.312 8.079 0.233 19198 2064 1 7 . 1 1 38 38 SER N N 38 116.337 116.337 114.604 1.733 19198 2065 1 7 . 1 1 38 38 SER HA H 38 4.214 4.214 4.622 -0.408 19198 2066 1 7 . 1 1 38 38 SER CA C 38 58.237 58.237 57.917 0.320 19198 2067 1 7 . 1 1 38 38 SER CB C 38 60.243 60.243 64.266 -4.023 19198 2068 1 7 . 1 1 38 38 SER H H 38 8.389 8.389 7.825 0.564 19198 2069 1 7 . 1 1 39 39 LEU N N 39 119.070 119.070 119.910 -0.840 19198 2070 1 7 . 1 1 39 39 LEU HA H 39 4.414 4.414 4.581 -0.167 19198 2071 1 7 . 1 1 39 39 LEU CA C 39 51.365 51.365 53.757 -2.392 19198 2072 1 7 . 1 1 39 39 LEU CB C 39 40.504 40.504 45.280 -4.776 19198 2073 1 7 . 1 1 39 39 LEU H H 39 6.905 6.905 7.186 -0.281 19198 2074 1 7 . 1 1 40 40 GLU N N 40 118.837 118.837 120.323 -1.486 19198 2075 1 7 . 1 1 40 40 GLU HA H 40 3.781 3.781 4.701 -0.920 19198 2076 1 7 . 1 1 40 40 GLU CA C 40 54.621 54.621 55.788 -1.167 19198 2077 1 7 . 1 1 40 40 GLU CB C 40 26.307 26.307 29.311 -3.004 19198 2078 1 7 . 1 1 40 40 GLU H H 40 7.814 7.814 8.596 -0.782 19198 2079 1 7 . 1 1 41 41 SER N N 41 110.546 110.546 117.299 -6.753 19198 2080 1 7 . 1 1 41 41 SER HA H 41 5.730 5.730 5.295 0.435 19198 2081 1 7 . 1 1 41 41 SER CA C 41 52.696 52.696 56.958 -4.262 19198 2082 1 7 . 1 1 41 41 SER CB C 41 63.820 63.820 65.503 -1.683 19198 2083 1 7 . 1 1 41 41 SER H H 41 7.452 7.452 8.433 -0.981 19198 2084 1 7 . 1 1 42 42 LEU N N 42 124.649 124.649 127.745 -3.096 19198 2085 1 7 . 1 1 42 42 LEU HA H 42 5.384 5.384 4.866 0.518 19198 2086 1 7 . 1 1 42 42 LEU CA C 42 51.231 51.231 54.736 -3.505 19198 2087 1 7 . 1 1 42 42 LEU CB C 42 46.451 46.451 45.197 1.254 19198 2088 1 7 . 1 1 42 42 LEU H H 42 9.281 9.281 8.511 0.770 19198 2089 1 7 . 1 1 43 43 VAL N N 43 125.093 125.093 123.859 1.234 19198 2090 1 7 . 1 1 43 43 VAL HA H 43 4.629 4.629 5.180 -0.551 19198 2091 1 7 . 1 1 43 43 VAL CA C 43 58.185 58.185 60.117 -1.933 19198 2092 1 7 . 1 1 43 43 VAL CB C 43 33.136 33.136 35.348 -2.212 19198 2093 1 7 . 1 1 43 43 VAL H H 43 8.849 8.849 7.935 0.914 19198 2094 1 7 . 1 1 44 44 GLY N N 44 114.807 114.807 110.253 4.554 19198 2095 1 7 . 1 1 44 44 GLY CA C 44 43.685 43.685 45.299 -1.614 19198 2096 1 7 . 1 1 44 44 GLY H H 44 7.156 7.156 8.358 -1.202 19198 2097 1 7 . 1 1 45 45 GLY N N 45 117.443 117.443 109.661 7.782 19198 2098 1 7 . 1 1 45 45 GLY CA C 45 43.268 43.268 45.880 -2.612 19198 2099 1 7 . 1 1 45 45 GLY H H 45 8.582 8.582 7.792 0.790 19198 2100 1 7 . 1 1 46 46 VAL N N 46 117.075 117.075 119.230 -2.155 19198 2101 1 7 . 1 1 46 46 VAL HA H 46 4.726 4.726 4.438 0.288 19198 2102 1 7 . 1 1 46 46 VAL CA C 46 56.843 56.843 61.838 -4.995 19198 2103 1 7 . 1 1 46 46 VAL CB C 46 33.568 33.568 34.668 -1.100 19198 2104 1 7 . 1 1 46 46 VAL H H 46 8.875 8.875 8.139 0.736 19198 2105 1 7 . 1 1 47 47 ILE N N 47 125.899 125.899 128.514 -2.615 19198 2106 1 7 . 1 1 47 47 ILE HA H 47 4.778 4.778 4.802 -0.024 19198 2107 1 7 . 1 1 47 47 ILE CB C 47 37.664 37.664 39.761 -2.097 19198 2108 1 7 . 1 1 47 47 ILE H H 47 8.765 8.765 8.489 0.276 19198 2109 1 7 . 1 1 48 48 PHE N N 48 126.624 126.624 127.594 -0.970 19198 2110 1 7 . 1 1 48 48 PHE HA H 48 4.777 4.777 4.836 -0.059 19198 2111 1 7 . 1 1 48 48 PHE CA C 48 56.162 56.162 57.058 -0.896 19198 2112 1 7 . 1 1 48 48 PHE CB C 48 38.742 38.742 40.283 -1.541 19198 2113 1 7 . 1 1 48 48 PHE H H 48 9.269 9.269 9.096 0.173 19198 2114 1 7 . 1 1 49 49 GLU N N 49 123.550 123.550 121.515 2.035 19198 2115 1 7 . 1 1 49 49 GLU HA H 49 4.021 4.021 4.047 -0.026 19198 2116 1 7 . 1 1 49 49 GLU CA C 49 56.574 56.574 59.336 -2.762 19198 2117 1 7 . 1 1 49 49 GLU CB C 49 26.939 26.939 29.601 -2.662 19198 2118 1 7 . 1 1 49 49 GLU H H 49 9.331 9.331 8.606 0.725 19198 2119 1 7 . 1 1 50 50 ASP N N 50 113.383 113.383 117.054 -3.671 19198 2120 1 7 . 1 1 50 50 ASP HA H 50 4.443 4.443 4.802 -0.359 19198 2121 1 7 . 1 1 50 50 ASP CA C 50 51.307 51.307 53.666 -2.360 19198 2122 1 7 . 1 1 50 50 ASP CB C 50 38.062 38.062 40.777 -2.715 19198 2123 1 7 . 1 1 50 50 ASP H H 50 7.674 7.674 8.324 -0.650 19198 2124 1 7 . 1 1 51 51 GLY N N 51 107.745 107.745 108.284 -0.539 19198 2125 1 7 . 1 1 51 51 GLY CA C 51 42.245 42.245 45.837 -3.592 19198 2126 1 7 . 1 1 51 51 GLY H H 51 7.884 7.884 7.716 0.168 19198 2127 1 7 . 1 1 52 52 ARG N N 52 120.713 120.713 120.104 0.609 19198 2128 1 7 . 1 1 52 52 ARG HA H 52 4.292 4.292 4.236 0.056 19198 2129 1 7 . 1 1 52 52 ARG CA C 52 55.314 55.314 53.806 1.508 19198 2130 1 7 . 1 1 52 52 ARG CB C 52 29.759 29.759 31.335 -1.576 19198 2131 1 7 . 1 1 52 52 ARG H H 52 7.880 7.880 7.576 0.304 19198 2132 1 7 . 1 1 53 53 HIS N N 53 120.216 120.216 125.242 -5.026 19198 2133 1 7 . 1 1 53 53 HIS HA H 53 5.671 5.671 5.202 0.469 19198 2134 1 7 . 1 1 53 53 HIS CA C 53 50.579 50.579 54.391 -3.812 19198 2135 1 7 . 1 1 53 53 HIS CB C 53 29.165 29.165 31.099 -1.934 19198 2136 1 7 . 1 1 53 53 HIS H H 53 8.961 8.961 8.772 0.189 19198 2137 1 7 . 1 1 54 54 TYR N N 54 121.480 121.480 127.879 -6.399 19198 2138 1 7 . 1 1 54 54 TYR HA H 54 5.574 5.574 5.137 0.437 19198 2139 1 7 . 1 1 54 54 TYR CA C 54 53.397 53.397 56.045 -2.648 19198 2140 1 7 . 1 1 54 54 TYR CB C 54 39.788 39.788 40.639 -0.851 19198 2141 1 7 . 1 1 54 54 TYR H H 54 9.259 9.259 9.181 0.078 19198 2142 1 7 . 1 1 55 55 THR N N 55 113.818 113.818 118.698 -4.880 19198 2143 1 7 . 1 1 55 55 THR HA H 55 5.013 5.013 4.349 0.664 19198 2144 1 7 . 1 1 55 55 THR CA C 55 57.994 57.994 62.497 -4.503 19198 2145 1 7 . 1 1 55 55 THR CB C 55 67.733 67.733 67.996 -0.263 19198 2146 1 7 . 1 1 55 55 THR H H 55 9.242 9.242 8.565 0.677 19198 2147 1 7 . 1 1 56 56 PHE HA H 56 5.987 5.987 4.798 1.189 19198 2148 1 7 . 1 1 56 56 PHE CA C 56 53.946 53.946 58.417 -4.471 19198 2149 1 7 . 1 1 56 56 PHE CB C 56 42.416 42.416 40.473 1.943 19198 2150 1 7 . 1 1 57 57 VAL N N 57 120.407 120.407 126.392 -5.985 19198 2151 1 7 . 1 1 57 57 VAL HA H 57 4.683 4.683 4.565 0.118 19198 2152 1 7 . 1 1 57 57 VAL CA C 57 59.696 59.696 60.795 -1.099 19198 2153 1 7 . 1 1 57 57 VAL CB C 57 33.227 33.227 35.355 -2.128 19198 2154 1 7 . 1 1 57 57 VAL H H 57 9.076 9.076 8.238 0.838 19198 2155 1 7 . 1 1 58 58 TYR N N 58 131.325 131.325 129.933 1.392 19198 2156 1 7 . 1 1 58 58 TYR HA H 58 5.504 5.504 4.939 0.565 19198 2157 1 7 . 1 1 58 58 TYR CA C 58 53.883 53.883 55.608 -1.725 19198 2158 1 7 . 1 1 58 58 TYR CB C 58 38.558 38.558 41.885 -3.327 19198 2159 1 7 . 1 1 58 58 TYR H H 58 9.821 9.821 8.797 1.024 19198 2160 1 7 . 1 1 59 59 GLU N N 59 123.904 123.904 125.789 -1.885 19198 2161 1 7 . 1 1 59 59 GLU HA H 59 4.519 4.519 4.600 -0.081 19198 2162 1 7 . 1 1 59 59 GLU CA C 59 52.718 52.718 54.014 -1.296 19198 2163 1 7 . 1 1 59 59 GLU CB C 59 29.084 29.084 32.934 -3.850 19198 2164 1 7 . 1 1 59 59 GLU H H 59 8.182 8.182 7.486 0.696 19198 2165 1 7 . 1 1 60 60 ASN N N 60 123.227 123.227 121.139 2.088 19198 2166 1 7 . 1 1 60 60 ASN HA H 60 4.247 4.247 4.059 0.188 19198 2167 1 7 . 1 1 60 60 ASN CA C 60 51.876 51.876 56.814 -4.938 19198 2168 1 7 . 1 1 60 60 ASN CB C 60 34.949 34.949 38.314 -3.365 19198 2169 1 7 . 1 1 60 60 ASN H H 60 9.566 9.566 8.850 0.716 19198 2170 1 7 . 1 1 61 61 GLU N N 61 107.647 107.647 112.890 -5.243 19198 2171 1 7 . 1 1 61 61 GLU HA H 61 3.500 3.500 4.631 -1.131 19198 2172 1 7 . 1 1 61 61 GLU CA C 61 54.765 54.765 55.965 -1.200 19198 2173 1 7 . 1 1 61 61 GLU CB C 61 25.167 25.167 30.997 -5.830 19198 2174 1 7 . 1 1 61 61 GLU H H 61 8.387 8.387 7.824 0.563 19198 2175 1 7 . 1 1 62 62 ASP N N 62 119.350 119.350 122.997 -3.647 19198 2176 1 7 . 1 1 62 62 ASP HA H 62 4.724 4.724 4.892 -0.168 19198 2177 1 7 . 1 1 62 62 ASP CB C 62 41.251 41.251 41.109 0.142 19198 2178 1 7 . 1 1 62 62 ASP H H 62 7.314 7.314 8.425 -1.111 19198 2179 1 7 . 1 1 63 63 LEU N N 63 123.998 123.998 125.032 -1.034 19198 2180 1 7 . 1 1 63 63 LEU HA H 63 5.037 5.037 4.602 0.435 19198 2181 1 7 . 1 1 63 63 LEU CA C 63 51.075 51.075 55.145 -4.071 19198 2182 1 7 . 1 1 63 63 LEU CB C 63 42.312 42.312 42.163 0.148 19198 2183 1 7 . 1 1 63 63 LEU H H 63 8.226 8.226 8.243 -0.017 19198 2184 1 7 . 1 1 64 64 VAL N N 64 127.167 127.167 128.376 -1.209 19198 2185 1 7 . 1 1 64 64 VAL HA H 64 4.361 4.361 4.280 0.081 19198 2186 1 7 . 1 1 64 64 VAL CA C 64 58.470 58.470 60.685 -2.215 19198 2187 1 7 . 1 1 64 64 VAL CB C 64 31.939 31.939 34.079 -2.140 19198 2188 1 7 . 1 1 64 64 VAL H H 64 8.915 8.915 8.721 0.194 19198 2189 1 7 . 1 1 65 65 TYR N N 65 121.421 121.421 120.904 0.517 19198 2190 1 7 . 1 1 65 65 TYR HA H 65 5.893 5.893 5.285 0.608 19198 2191 1 7 . 1 1 65 65 TYR CA C 65 53.115 53.115 55.501 -2.386 19198 2192 1 7 . 1 1 65 65 TYR CB C 65 39.948 39.948 41.099 -1.151 19198 2193 1 7 . 1 1 65 65 TYR H H 65 8.207 8.207 7.953 0.254 19198 2194 1 7 . 1 1 66 66 GLU N N 66 117.842 117.842 121.598 -3.756 19198 2195 1 7 . 1 1 66 66 GLU HA H 66 4.793 4.793 4.594 0.199 19198 2196 1 7 . 1 1 66 66 GLU CB C 66 30.949 30.949 32.687 -1.738 19198 2197 1 7 . 1 1 66 66 GLU H H 66 8.875 8.875 8.633 0.242 19198 2198 1 7 . 1 1 67 67 GLU N N 67 125.220 125.220 121.780 3.440 19198 2199 1 7 . 1 1 67 67 GLU HA H 67 4.084 4.084 4.731 -0.647 19198 2200 1 7 . 1 1 67 67 GLU CA C 67 54.157 54.157 56.020 -1.863 19198 2201 1 7 . 1 1 67 67 GLU CB C 67 27.697 27.697 31.196 -3.499 19198 2202 1 7 . 1 1 67 67 GLU H H 67 9.033 9.033 8.781 0.252 19198 2203 1 7 . 1 1 68 68 GLU N N 68 127.058 127.058 127.345 -0.287 19198 2204 1 7 . 1 1 68 68 GLU HA H 68 4.358 4.358 4.253 0.105 19198 2205 1 7 . 1 1 68 68 GLU CA C 68 53.193 53.193 56.984 -3.792 19198 2206 1 7 . 1 1 68 68 GLU CB C 68 28.405 28.405 29.464 -1.059 19198 2207 1 7 . 1 1 68 68 GLU H H 68 8.546 8.546 8.445 0.101 19198 2208 1 7 . 1 1 69 69 VAL N N 69 125.782 125.782 120.967 4.815 19198 2209 1 7 . 1 1 69 69 VAL HA H 69 4.046 4.046 4.310 -0.264 19198 2210 1 7 . 1 1 69 69 VAL CA C 69 59.775 59.775 62.159 -2.384 19198 2211 1 7 . 1 1 69 69 VAL CB C 69 30.174 30.174 32.005 -1.831 19198 2212 1 7 . 1 1 69 69 VAL H H 69 8.422 8.422 8.250 0.172 19198 2213 1 8 . 1 1 3 3 ASP N N 3 120.996 120.996 124.590 -3.594 19198 2214 1 8 . 1 1 3 3 ASP H H 3 8.416 8.416 8.306 0.110 19198 2215 1 8 . 1 1 4 4 ARG N N 4 120.957 120.957 119.275 1.682 19198 2216 1 8 . 1 1 4 4 ARG H H 4 8.187 8.187 7.758 0.429 19198 2217 1 8 . 1 1 5 5 LYS N N 5 122.746 122.746 122.913 -0.167 19198 2218 1 8 . 1 1 5 5 LYS HA H 5 4.209 4.209 4.267 -0.058 19198 2219 1 8 . 1 1 5 5 LYS CA C 5 53.562 53.562 56.478 -2.916 19198 2220 1 8 . 1 1 5 5 LYS CB C 5 30.595 30.595 30.777 -0.182 19198 2221 1 8 . 1 1 5 5 LYS H H 5 8.223 8.223 8.170 0.053 19198 2222 1 8 . 1 1 6 6 LEU N N 6 124.432 124.432 124.389 0.043 19198 2223 1 8 . 1 1 6 6 LEU HA H 6 4.345 4.345 4.809 -0.464 19198 2224 1 8 . 1 1 6 6 LEU CA C 6 52.051 52.051 53.660 -1.609 19198 2225 1 8 . 1 1 6 6 LEU CB C 6 39.833 39.833 43.964 -4.131 19198 2226 1 8 . 1 1 6 6 LEU H H 6 8.258 8.258 8.217 0.041 19198 2227 1 8 . 1 1 7 7 MET N N 7 122.420 122.420 119.970 2.450 19198 2228 1 8 . 1 1 7 7 MET HA H 7 4.529 4.529 4.802 -0.273 19198 2229 1 8 . 1 1 7 7 MET CA C 7 52.288 52.288 54.803 -2.515 19198 2230 1 8 . 1 1 7 7 MET CB C 7 30.827 30.827 33.992 -3.165 19198 2231 1 8 . 1 1 7 7 MET H H 7 8.284 8.284 8.355 -0.071 19198 2232 1 8 . 1 1 8 8 LYS N N 8 124.204 124.204 120.697 3.507 19198 2233 1 8 . 1 1 8 8 LYS HA H 8 4.461 4.461 4.540 -0.079 19198 2234 1 8 . 1 1 8 8 LYS CA C 8 53.986 53.986 56.094 -2.108 19198 2235 1 8 . 1 1 8 8 LYS CB C 8 31.771 31.771 33.112 -1.341 19198 2236 1 8 . 1 1 8 8 LYS H H 8 9.420 9.420 8.493 0.927 19198 2237 1 8 . 1 1 9 9 THR N N 9 113.488 113.488 109.338 4.150 19198 2238 1 8 . 1 1 9 9 THR HA H 9 4.366 4.366 4.695 -0.329 19198 2239 1 8 . 1 1 9 9 THR CA C 9 57.964 57.964 60.541 -2.577 19198 2240 1 8 . 1 1 9 9 THR CB C 9 68.912 68.912 71.826 -2.914 19198 2241 1 8 . 1 1 9 9 THR H H 9 8.817 8.817 7.914 0.903 19198 2242 1 8 . 1 1 10 10 GLN N N 10 121.509 121.509 121.928 -0.419 19198 2243 1 8 . 1 1 10 10 GLN HA H 10 3.012 3.012 3.797 -0.785 19198 2244 1 8 . 1 1 10 10 GLN CA C 10 57.666 57.666 60.247 -2.581 19198 2245 1 8 . 1 1 10 10 GLN CB C 10 24.850 24.850 28.235 -3.385 19198 2246 1 8 . 1 1 10 10 GLN H H 10 8.586 8.586 8.927 -0.341 19198 2247 1 8 . 1 1 11 11 GLU N N 11 121.406 121.406 119.371 2.035 19198 2248 1 8 . 1 1 11 11 GLU HA H 11 3.801 3.801 3.919 -0.118 19198 2249 1 8 . 1 1 11 11 GLU CA C 11 57.739 57.739 59.728 -1.989 19198 2250 1 8 . 1 1 11 11 GLU CB C 11 26.332 26.332 29.178 -2.846 19198 2251 1 8 . 1 1 11 11 GLU H H 11 8.998 8.998 8.618 0.380 19198 2252 1 8 . 1 1 12 12 GLU N N 12 120.601 120.601 119.538 1.063 19198 2253 1 8 . 1 1 12 12 GLU HA H 12 3.864 3.864 3.998 -0.134 19198 2254 1 8 . 1 1 12 12 GLU CA C 12 56.542 56.542 59.313 -2.771 19198 2255 1 8 . 1 1 12 12 GLU CB C 12 27.796 27.796 29.593 -1.797 19198 2256 1 8 . 1 1 12 12 GLU H H 12 7.688 7.688 7.610 0.078 19198 2257 1 8 . 1 1 13 13 LEU N N 13 117.867 117.867 119.962 -2.095 19198 2258 1 8 . 1 1 13 13 LEU HA H 13 3.755 3.755 4.047 -0.292 19198 2259 1 8 . 1 1 13 13 LEU CA C 13 54.855 54.855 58.168 -3.313 19198 2260 1 8 . 1 1 13 13 LEU CB C 13 40.140 40.140 41.101 -0.961 19198 2261 1 8 . 1 1 13 13 LEU H H 13 8.172 8.172 7.861 0.311 19198 2262 1 8 . 1 1 14 14 THR N N 14 115.136 115.136 115.583 -0.447 19198 2263 1 8 . 1 1 14 14 THR HA H 14 3.256 3.256 3.916 -0.660 19198 2264 1 8 . 1 1 14 14 THR CA C 14 64.768 64.768 67.347 -2.580 19198 2265 1 8 . 1 1 14 14 THR CB C 14 65.545 65.545 68.505 -2.961 19198 2266 1 8 . 1 1 14 14 THR H H 14 8.166 8.166 8.492 -0.326 19198 2267 1 8 . 1 1 15 15 GLU N N 15 120.674 120.674 121.321 -0.647 19198 2268 1 8 . 1 1 15 15 GLU HA H 15 3.857 3.857 4.110 -0.253 19198 2269 1 8 . 1 1 15 15 GLU CA C 15 56.467 56.467 59.091 -2.624 19198 2270 1 8 . 1 1 15 15 GLU CB C 15 26.370 26.370 29.174 -2.804 19198 2271 1 8 . 1 1 15 15 GLU H H 15 7.504 7.504 8.252 -0.748 19198 2272 1 8 . 1 1 16 16 ILE N N 16 119.946 119.946 120.517 -0.571 19198 2273 1 8 . 1 1 16 16 ILE HA H 16 3.602 3.602 3.624 -0.022 19198 2274 1 8 . 1 1 16 16 ILE CA C 16 62.428 62.428 65.633 -3.205 19198 2275 1 8 . 1 1 16 16 ILE CB C 16 35.913 35.913 37.648 -1.735 19198 2276 1 8 . 1 1 16 16 ILE H H 16 7.162 7.162 8.503 -1.341 19198 2277 1 8 . 1 1 17 17 VAL N N 17 120.087 120.087 117.426 2.661 19198 2278 1 8 . 1 1 17 17 VAL HA H 17 3.001 3.001 3.724 -0.723 19198 2279 1 8 . 1 1 17 17 VAL CA C 17 64.706 64.706 65.776 -1.070 19198 2280 1 8 . 1 1 17 17 VAL CB C 17 28.391 28.391 31.471 -3.080 19198 2281 1 8 . 1 1 17 17 VAL H H 17 7.539 7.539 7.407 0.132 19198 2282 1 8 . 1 1 18 18 ARG N N 18 121.099 121.099 121.193 -0.094 19198 2283 1 8 . 1 1 18 18 ARG HA H 18 3.438 3.438 3.979 -0.541 19198 2284 1 8 . 1 1 18 18 ARG CA C 18 57.834 57.834 59.950 -2.116 19198 2285 1 8 . 1 1 18 18 ARG CB C 18 27.388 27.388 30.248 -2.860 19198 2286 1 8 . 1 1 18 18 ARG H H 18 8.708 8.708 8.421 0.287 19198 2287 1 8 . 1 1 19 19 ASP N N 19 118.955 118.955 115.745 3.210 19198 2288 1 8 . 1 1 19 19 ASP HA H 19 4.215 4.215 4.535 -0.320 19198 2289 1 8 . 1 1 19 19 ASP CA C 19 54.604 54.604 55.957 -1.353 19198 2290 1 8 . 1 1 19 19 ASP CB C 19 37.705 37.705 40.663 -2.958 19198 2291 1 8 . 1 1 19 19 ASP H H 19 8.286 8.286 8.366 -0.080 19198 2292 1 8 . 1 1 20 20 HIS N N 20 116.419 116.419 115.271 1.148 19198 2293 1 8 . 1 1 20 20 HIS HA H 20 4.147 4.147 4.649 -0.502 19198 2294 1 8 . 1 1 20 20 HIS CA C 20 56.243 56.243 57.091 -0.848 19198 2295 1 8 . 1 1 20 20 HIS CB C 20 26.196 26.196 32.172 -5.976 19198 2296 1 8 . 1 1 20 20 HIS H H 20 7.532 7.532 7.717 -0.185 19198 2297 1 8 . 1 1 21 21 PHE N N 21 116.347 116.347 119.672 -3.325 19198 2298 1 8 . 1 1 21 21 PHE HA H 21 4.463 4.463 4.902 -0.439 19198 2299 1 8 . 1 1 21 21 PHE CA C 21 58.279 58.279 56.522 1.757 19198 2300 1 8 . 1 1 21 21 PHE CB C 21 36.780 36.780 40.070 -3.290 19198 2301 1 8 . 1 1 21 21 PHE H H 21 7.983 7.983 8.075 -0.092 19198 2302 1 8 . 1 1 22 22 SER N N 22 116.555 116.555 118.003 -1.448 19198 2303 1 8 . 1 1 22 22 SER HA H 22 4.541 4.541 4.238 0.303 19198 2304 1 8 . 1 1 22 22 SER CA C 22 59.013 59.013 61.115 -2.102 19198 2305 1 8 . 1 1 22 22 SER CB C 22 60.225 60.225 62.856 -2.631 19198 2306 1 8 . 1 1 22 22 SER H H 22 8.578 8.578 8.109 0.469 19198 2307 1 8 . 1 1 23 23 ASP N N 23 118.564 118.564 120.396 -1.832 19198 2308 1 8 . 1 1 23 23 ASP HA H 23 4.581 4.581 4.744 -0.163 19198 2309 1 8 . 1 1 23 23 ASP CA C 23 52.796 52.796 56.135 -3.339 19198 2310 1 8 . 1 1 23 23 ASP CB C 23 38.460 38.460 41.112 -2.652 19198 2311 1 8 . 1 1 23 23 ASP H H 23 7.246 7.246 8.695 -1.449 19198 2312 1 8 . 1 1 24 24 MET N N 24 116.378 116.378 117.864 -1.486 19198 2313 1 8 . 1 1 24 24 MET HA H 24 4.207 4.207 4.683 -0.476 19198 2314 1 8 . 1 1 24 24 MET CA C 24 53.696 53.696 55.897 -2.201 19198 2315 1 8 . 1 1 24 24 MET CB C 24 32.101 32.101 34.087 -1.986 19198 2316 1 8 . 1 1 24 24 MET H H 24 7.958 7.958 7.774 0.184 19198 2317 1 8 . 1 1 25 25 GLY N N 25 107.470 107.470 107.277 0.193 19198 2318 1 8 . 1 1 25 25 GLY CA C 25 42.230 42.230 45.091 -2.861 19198 2319 1 8 . 1 1 25 25 GLY H H 25 7.475 7.475 7.471 0.004 19198 2320 1 8 . 1 1 26 26 GLU N N 26 117.869 117.869 119.103 -1.234 19198 2321 1 8 . 1 1 26 26 GLU HA H 26 4.452 4.452 4.322 0.130 19198 2322 1 8 . 1 1 26 26 GLU CA C 26 52.851 52.851 54.199 -1.348 19198 2323 1 8 . 1 1 26 26 GLU CB C 26 27.412 27.412 32.415 -5.003 19198 2324 1 8 . 1 1 26 26 GLU H H 26 8.397 8.397 7.576 0.821 19198 2325 1 8 . 1 1 27 27 ILE N N 27 129.460 129.460 124.530 4.930 19198 2326 1 8 . 1 1 27 27 ILE HA H 27 3.206 3.206 3.709 -0.503 19198 2327 1 8 . 1 1 27 27 ILE CA C 27 61.133 61.133 62.400 -1.267 19198 2328 1 8 . 1 1 27 27 ILE CB C 27 36.987 36.987 37.308 -0.321 19198 2329 1 8 . 1 1 27 27 ILE H H 27 8.980 8.980 8.402 0.578 19198 2330 1 8 . 1 1 28 28 ALA N N 28 131.875 131.875 132.256 -0.381 19198 2331 1 8 . 1 1 28 28 ALA HA H 28 4.492 4.492 4.295 0.197 19198 2332 1 8 . 1 1 28 28 ALA CA C 28 50.949 50.949 54.015 -3.066 19198 2333 1 8 . 1 1 28 28 ALA CB C 28 17.101 17.101 19.363 -2.262 19198 2334 1 8 . 1 1 28 28 ALA H H 28 9.208 9.208 8.804 0.404 19198 2335 1 8 . 1 1 29 29 THR N N 29 112.070 112.070 116.263 -4.193 19198 2336 1 8 . 1 1 29 29 THR HA H 29 4.346 4.346 4.396 -0.050 19198 2337 1 8 . 1 1 29 29 THR CA C 29 58.963 58.963 62.627 -3.664 19198 2338 1 8 . 1 1 29 29 THR CB C 29 69.475 69.475 68.947 0.528 19198 2339 1 8 . 1 1 29 29 THR H H 29 7.803 7.803 7.738 0.065 19198 2340 1 8 . 1 1 30 30 LEU N N 30 129.754 129.754 129.636 0.118 19198 2341 1 8 . 1 1 30 30 LEU HA H 30 4.878 4.878 4.584 0.294 19198 2342 1 8 . 1 1 30 30 LEU CA C 30 52.316 52.316 54.700 -2.384 19198 2343 1 8 . 1 1 30 30 LEU CB C 30 42.195 42.195 44.142 -1.947 19198 2344 1 8 . 1 1 30 30 LEU H H 30 8.388 8.388 8.779 -0.391 19198 2345 1 8 . 1 1 31 31 TYR N N 31 124.642 124.642 125.373 -0.731 19198 2346 1 8 . 1 1 31 31 TYR HA H 31 5.108 5.108 4.728 0.380 19198 2347 1 8 . 1 1 31 31 TYR CA C 31 52.174 52.174 56.347 -4.173 19198 2348 1 8 . 1 1 31 31 TYR CB C 31 38.406 38.406 39.381 -0.975 19198 2349 1 8 . 1 1 31 31 TYR H H 31 8.837 8.837 8.667 0.170 19198 2350 1 8 . 1 1 32 32 VAL N N 32 121.165 121.165 120.468 0.697 19198 2351 1 8 . 1 1 32 32 VAL HA H 32 4.083 4.083 4.207 -0.124 19198 2352 1 8 . 1 1 32 32 VAL CA C 32 59.645 59.645 61.030 -1.385 19198 2353 1 8 . 1 1 32 32 VAL CB C 32 32.016 32.016 33.982 -1.966 19198 2354 1 8 . 1 1 32 32 VAL H H 32 8.684 8.684 8.278 0.406 19198 2355 1 8 . 1 1 33 33 GLN N N 33 126.911 126.911 126.062 0.849 19198 2356 1 8 . 1 1 33 33 GLN HA H 33 4.462 4.462 4.313 0.149 19198 2357 1 8 . 1 1 33 33 GLN CA C 33 54.266 54.266 56.932 -2.666 19198 2358 1 8 . 1 1 33 33 GLN CB C 33 28.717 28.717 29.138 -0.421 19198 2359 1 8 . 1 1 33 33 GLN H H 33 9.633 9.633 8.275 1.358 19198 2360 1 8 . 1 1 34 34 VAL N N 34 117.041 117.041 115.554 1.487 19198 2361 1 8 . 1 1 34 34 VAL HA H 34 4.313 4.313 4.387 -0.074 19198 2362 1 8 . 1 1 34 34 VAL CA C 34 59.270 59.270 61.162 -1.892 19198 2363 1 8 . 1 1 34 34 VAL CB C 34 33.725 33.725 32.623 1.101 19198 2364 1 8 . 1 1 34 34 VAL H H 34 7.840 7.840 7.319 0.521 19198 2365 1 8 . 1 1 35 35 TYR N N 35 128.263 128.263 127.714 0.549 19198 2366 1 8 . 1 1 35 35 TYR HA H 35 5.415 5.415 4.930 0.485 19198 2367 1 8 . 1 1 35 35 TYR CA C 35 52.594 52.594 56.084 -3.490 19198 2368 1 8 . 1 1 35 35 TYR CB C 35 38.583 38.583 40.004 -1.421 19198 2369 1 8 . 1 1 35 35 TYR H H 35 8.580 8.580 8.449 0.131 19198 2370 1 8 . 1 1 36 36 GLU N N 36 129.574 129.574 127.334 2.240 19198 2371 1 8 . 1 1 36 36 GLU HA H 36 4.403 4.403 4.330 0.073 19198 2372 1 8 . 1 1 36 36 GLU CA C 36 51.421 51.421 54.496 -3.075 19198 2373 1 8 . 1 1 36 36 GLU CB C 36 28.035 28.035 30.682 -2.647 19198 2374 1 8 . 1 1 36 36 GLU H H 36 8.118 8.118 7.941 0.177 19198 2375 1 8 . 1 1 37 37 SER N N 37 121.805 121.805 120.980 0.825 19198 2376 1 8 . 1 1 37 37 SER HA H 37 3.754 3.754 4.393 -0.639 19198 2377 1 8 . 1 1 37 37 SER CA C 37 57.817 57.817 59.271 -1.454 19198 2378 1 8 . 1 1 37 37 SER CB C 37 60.041 60.041 63.446 -3.405 19198 2379 1 8 . 1 1 37 37 SER H H 37 8.312 8.312 8.564 -0.252 19198 2380 1 8 . 1 1 38 38 SER N N 38 116.337 116.337 115.420 0.917 19198 2381 1 8 . 1 1 38 38 SER HA H 38 4.214 4.214 4.609 -0.395 19198 2382 1 8 . 1 1 38 38 SER CA C 38 58.237 58.237 58.826 -0.589 19198 2383 1 8 . 1 1 38 38 SER CB C 38 60.243 60.243 64.461 -4.218 19198 2384 1 8 . 1 1 38 38 SER H H 38 8.389 8.389 8.735 -0.346 19198 2385 1 8 . 1 1 39 39 LEU N N 39 119.070 119.070 119.539 -0.469 19198 2386 1 8 . 1 1 39 39 LEU HA H 39 4.414 4.414 4.581 -0.167 19198 2387 1 8 . 1 1 39 39 LEU CA C 39 51.365 51.365 53.791 -2.426 19198 2388 1 8 . 1 1 39 39 LEU CB C 39 40.504 40.504 44.516 -4.012 19198 2389 1 8 . 1 1 39 39 LEU H H 39 6.905 6.905 7.283 -0.378 19198 2390 1 8 . 1 1 40 40 GLU N N 40 118.837 118.837 120.641 -1.804 19198 2391 1 8 . 1 1 40 40 GLU HA H 40 3.781 3.781 4.658 -0.877 19198 2392 1 8 . 1 1 40 40 GLU CA C 40 54.621 54.621 55.861 -1.240 19198 2393 1 8 . 1 1 40 40 GLU CB C 40 26.307 26.307 28.634 -2.327 19198 2394 1 8 . 1 1 40 40 GLU H H 40 7.814 7.814 8.727 -0.913 19198 2395 1 8 . 1 1 41 41 SER N N 41 110.546 110.546 115.998 -5.452 19198 2396 1 8 . 1 1 41 41 SER HA H 41 5.730 5.730 4.915 0.815 19198 2397 1 8 . 1 1 41 41 SER CA C 41 52.696 52.696 56.774 -4.078 19198 2398 1 8 . 1 1 41 41 SER CB C 41 63.820 63.820 65.257 -1.437 19198 2399 1 8 . 1 1 41 41 SER H H 41 7.452 7.452 7.834 -0.382 19198 2400 1 8 . 1 1 42 42 LEU N N 42 124.649 124.649 127.156 -2.507 19198 2401 1 8 . 1 1 42 42 LEU HA H 42 5.384 5.384 4.842 0.542 19198 2402 1 8 . 1 1 42 42 LEU CA C 42 51.231 51.231 54.563 -3.332 19198 2403 1 8 . 1 1 42 42 LEU CB C 42 46.451 46.451 44.629 1.822 19198 2404 1 8 . 1 1 42 42 LEU H H 42 9.281 9.281 8.182 1.099 19198 2405 1 8 . 1 1 43 43 VAL N N 43 125.093 125.093 124.304 0.789 19198 2406 1 8 . 1 1 43 43 VAL HA H 43 4.629 4.629 5.161 -0.532 19198 2407 1 8 . 1 1 43 43 VAL CA C 43 58.185 58.185 60.697 -2.512 19198 2408 1 8 . 1 1 43 43 VAL CB C 43 33.136 33.136 35.438 -2.302 19198 2409 1 8 . 1 1 43 43 VAL H H 43 8.849 8.849 8.112 0.737 19198 2410 1 8 . 1 1 44 44 GLY N N 44 114.807 114.807 110.350 4.457 19198 2411 1 8 . 1 1 44 44 GLY CA C 44 43.685 43.685 45.495 -1.810 19198 2412 1 8 . 1 1 44 44 GLY H H 44 7.156 7.156 8.224 -1.068 19198 2413 1 8 . 1 1 45 45 GLY N N 45 117.443 117.443 108.905 8.538 19198 2414 1 8 . 1 1 45 45 GLY CA C 45 43.268 43.268 45.892 -2.623 19198 2415 1 8 . 1 1 45 45 GLY H H 45 8.582 8.582 7.821 0.761 19198 2416 1 8 . 1 1 46 46 VAL N N 46 117.075 117.075 118.533 -1.458 19198 2417 1 8 . 1 1 46 46 VAL HA H 46 4.726 4.726 4.515 0.211 19198 2418 1 8 . 1 1 46 46 VAL CA C 46 56.843 56.843 61.097 -4.254 19198 2419 1 8 . 1 1 46 46 VAL CB C 46 33.568 33.568 34.925 -1.357 19198 2420 1 8 . 1 1 46 46 VAL H H 46 8.875 8.875 8.181 0.694 19198 2421 1 8 . 1 1 47 47 ILE N N 47 125.899 125.899 126.982 -1.083 19198 2422 1 8 . 1 1 47 47 ILE HA H 47 4.778 4.778 4.429 0.349 19198 2423 1 8 . 1 1 47 47 ILE CB C 47 37.664 37.664 39.753 -2.089 19198 2424 1 8 . 1 1 47 47 ILE H H 47 8.765 8.765 8.541 0.224 19198 2425 1 8 . 1 1 48 48 PHE N N 48 126.624 126.624 127.490 -0.866 19198 2426 1 8 . 1 1 48 48 PHE HA H 48 4.777 4.777 4.659 0.118 19198 2427 1 8 . 1 1 48 48 PHE CA C 48 56.162 56.162 56.630 -0.468 19198 2428 1 8 . 1 1 48 48 PHE CB C 48 38.742 38.742 39.719 -0.977 19198 2429 1 8 . 1 1 48 48 PHE H H 48 9.269 9.269 8.845 0.424 19198 2430 1 8 . 1 1 49 49 GLU N N 49 123.550 123.550 122.839 0.711 19198 2431 1 8 . 1 1 49 49 GLU HA H 49 4.021 4.021 3.990 0.031 19198 2432 1 8 . 1 1 49 49 GLU CA C 49 56.574 56.574 59.582 -3.008 19198 2433 1 8 . 1 1 49 49 GLU CB C 49 26.939 26.939 29.464 -2.525 19198 2434 1 8 . 1 1 49 49 GLU H H 49 9.331 9.331 8.619 0.712 19198 2435 1 8 . 1 1 50 50 ASP N N 50 113.383 113.383 116.593 -3.210 19198 2436 1 8 . 1 1 50 50 ASP HA H 50 4.443 4.443 4.638 -0.195 19198 2437 1 8 . 1 1 50 50 ASP CA C 50 51.307 51.307 54.458 -3.151 19198 2438 1 8 . 1 1 50 50 ASP CB C 50 38.062 38.062 41.167 -3.105 19198 2439 1 8 . 1 1 50 50 ASP H H 50 7.674 7.674 8.259 -0.585 19198 2440 1 8 . 1 1 51 51 GLY N N 51 107.745 107.745 109.111 -1.366 19198 2441 1 8 . 1 1 51 51 GLY CA C 51 42.245 42.245 45.411 -3.166 19198 2442 1 8 . 1 1 51 51 GLY H H 51 7.884 7.884 7.790 0.094 19198 2443 1 8 . 1 1 52 52 ARG N N 52 120.713 120.713 121.667 -0.954 19198 2444 1 8 . 1 1 52 52 ARG HA H 52 4.292 4.292 4.480 -0.188 19198 2445 1 8 . 1 1 52 52 ARG CA C 52 55.314 55.314 54.957 0.357 19198 2446 1 8 . 1 1 52 52 ARG CB C 52 29.759 29.759 31.703 -1.944 19198 2447 1 8 . 1 1 52 52 ARG H H 52 7.880 7.880 7.669 0.211 19198 2448 1 8 . 1 1 53 53 HIS N N 53 120.216 120.216 125.516 -5.300 19198 2449 1 8 . 1 1 53 53 HIS HA H 53 5.671 5.671 5.368 0.303 19198 2450 1 8 . 1 1 53 53 HIS CA C 53 50.579 50.579 53.984 -3.405 19198 2451 1 8 . 1 1 53 53 HIS CB C 53 29.165 29.165 31.523 -2.358 19198 2452 1 8 . 1 1 53 53 HIS H H 53 8.961 8.961 8.382 0.579 19198 2453 1 8 . 1 1 54 54 TYR N N 54 121.480 121.480 126.550 -5.070 19198 2454 1 8 . 1 1 54 54 TYR HA H 54 5.574 5.574 4.742 0.833 19198 2455 1 8 . 1 1 54 54 TYR CA C 54 53.397 53.397 55.980 -2.583 19198 2456 1 8 . 1 1 54 54 TYR CB C 54 39.788 39.788 42.200 -2.412 19198 2457 1 8 . 1 1 54 54 TYR H H 54 9.259 9.259 8.853 0.406 19198 2458 1 8 . 1 1 55 55 THR N N 55 113.818 113.818 115.860 -2.042 19198 2459 1 8 . 1 1 55 55 THR HA H 55 5.013 5.013 4.520 0.493 19198 2460 1 8 . 1 1 55 55 THR CA C 55 57.994 57.994 61.695 -3.701 19198 2461 1 8 . 1 1 55 55 THR CB C 55 67.733 67.733 67.281 0.452 19198 2462 1 8 . 1 1 55 55 THR H H 55 9.242 9.242 8.934 0.308 19198 2463 1 8 . 1 1 56 56 PHE HA H 56 5.987 5.987 4.665 1.322 19198 2464 1 8 . 1 1 56 56 PHE CA C 56 53.946 53.946 59.586 -5.640 19198 2465 1 8 . 1 1 56 56 PHE CB C 56 42.416 42.416 38.981 3.435 19198 2466 1 8 . 1 1 57 57 VAL N N 57 120.407 120.407 125.746 -5.339 19198 2467 1 8 . 1 1 57 57 VAL HA H 57 4.683 4.683 4.569 0.114 19198 2468 1 8 . 1 1 57 57 VAL CA C 57 59.696 59.696 59.958 -0.262 19198 2469 1 8 . 1 1 57 57 VAL CB C 57 33.227 33.227 34.765 -1.538 19198 2470 1 8 . 1 1 57 57 VAL H H 57 9.076 9.076 8.137 0.939 19198 2471 1 8 . 1 1 58 58 TYR N N 58 131.325 131.325 129.719 1.606 19198 2472 1 8 . 1 1 58 58 TYR HA H 58 5.504 5.504 5.353 0.151 19198 2473 1 8 . 1 1 58 58 TYR CA C 58 53.883 53.883 55.547 -1.664 19198 2474 1 8 . 1 1 58 58 TYR CB C 58 38.558 38.558 41.560 -3.002 19198 2475 1 8 . 1 1 58 58 TYR H H 58 9.821 9.821 8.658 1.163 19198 2476 1 8 . 1 1 59 59 GLU N N 59 123.904 123.904 126.931 -3.027 19198 2477 1 8 . 1 1 59 59 GLU HA H 59 4.519 4.519 4.522 -0.003 19198 2478 1 8 . 1 1 59 59 GLU CA C 59 52.718 52.718 55.005 -2.287 19198 2479 1 8 . 1 1 59 59 GLU CB C 59 29.084 29.084 30.197 -1.113 19198 2480 1 8 . 1 1 59 59 GLU H H 59 8.182 8.182 8.518 -0.336 19198 2481 1 8 . 1 1 60 60 ASN N N 60 123.227 123.227 124.056 -0.829 19198 2482 1 8 . 1 1 60 60 ASN HA H 60 4.247 4.247 4.092 0.155 19198 2483 1 8 . 1 1 60 60 ASN CA C 60 51.876 51.876 56.710 -4.834 19198 2484 1 8 . 1 1 60 60 ASN CB C 60 34.949 34.949 37.830 -2.881 19198 2485 1 8 . 1 1 60 60 ASN H H 60 9.566 9.566 8.608 0.958 19198 2486 1 8 . 1 1 61 61 GLU N N 61 107.647 107.647 111.048 -3.401 19198 2487 1 8 . 1 1 61 61 GLU HA H 61 3.500 3.500 4.145 -0.645 19198 2488 1 8 . 1 1 61 61 GLU CA C 61 54.765 54.765 55.917 -1.152 19198 2489 1 8 . 1 1 61 61 GLU CB C 61 25.167 25.167 31.567 -6.399 19198 2490 1 8 . 1 1 61 61 GLU H H 61 8.387 8.387 7.793 0.594 19198 2491 1 8 . 1 1 62 62 ASP N N 62 119.350 119.350 123.653 -4.303 19198 2492 1 8 . 1 1 62 62 ASP HA H 62 4.724 4.724 4.664 0.060 19198 2493 1 8 . 1 1 62 62 ASP CB C 62 41.251 41.251 42.364 -1.113 19198 2494 1 8 . 1 1 62 62 ASP H H 62 7.314 7.314 7.856 -0.542 19198 2495 1 8 . 1 1 63 63 LEU N N 63 123.998 123.998 122.993 1.005 19198 2496 1 8 . 1 1 63 63 LEU HA H 63 5.037 5.037 5.395 -0.358 19198 2497 1 8 . 1 1 63 63 LEU CA C 63 51.075 51.075 53.753 -2.678 19198 2498 1 8 . 1 1 63 63 LEU CB C 63 42.312 42.312 44.581 -2.269 19198 2499 1 8 . 1 1 63 63 LEU H H 63 8.226 8.226 8.236 -0.010 19198 2500 1 8 . 1 1 64 64 VAL N N 64 127.167 127.167 126.565 0.602 19198 2501 1 8 . 1 1 64 64 VAL HA H 64 4.361 4.361 4.316 0.045 19198 2502 1 8 . 1 1 64 64 VAL CA C 64 58.470 58.470 60.983 -2.513 19198 2503 1 8 . 1 1 64 64 VAL CB C 64 31.939 31.939 36.198 -4.259 19198 2504 1 8 . 1 1 64 64 VAL H H 64 8.915 8.915 8.183 0.732 19198 2505 1 8 . 1 1 65 65 TYR N N 65 121.421 121.421 117.850 3.571 19198 2506 1 8 . 1 1 65 65 TYR HA H 65 5.893 5.893 5.266 0.627 19198 2507 1 8 . 1 1 65 65 TYR CA C 65 53.115 53.115 56.847 -3.732 19198 2508 1 8 . 1 1 65 65 TYR CB C 65 39.948 39.948 40.019 -0.071 19198 2509 1 8 . 1 1 65 65 TYR H H 65 8.207 8.207 7.837 0.370 19198 2510 1 8 . 1 1 66 66 GLU N N 66 117.842 117.842 120.030 -2.188 19198 2511 1 8 . 1 1 66 66 GLU HA H 66 4.793 4.793 4.567 0.226 19198 2512 1 8 . 1 1 66 66 GLU CB C 66 30.949 30.949 31.741 -0.792 19198 2513 1 8 . 1 1 66 66 GLU H H 66 8.875 8.875 9.287 -0.412 19198 2514 1 8 . 1 1 67 67 GLU N N 67 125.220 125.220 120.440 4.780 19198 2515 1 8 . 1 1 67 67 GLU HA H 67 4.084 4.084 4.647 -0.563 19198 2516 1 8 . 1 1 67 67 GLU CA C 67 54.157 54.157 55.838 -1.681 19198 2517 1 8 . 1 1 67 67 GLU CB C 67 27.697 27.697 32.815 -5.118 19198 2518 1 8 . 1 1 67 67 GLU H H 67 9.033 9.033 8.184 0.849 19198 2519 1 8 . 1 1 68 68 GLU N N 68 127.058 127.058 124.788 2.270 19198 2520 1 8 . 1 1 68 68 GLU HA H 68 4.358 4.358 4.401 -0.043 19198 2521 1 8 . 1 1 68 68 GLU CA C 68 53.193 53.193 56.212 -3.019 19198 2522 1 8 . 1 1 68 68 GLU CB C 68 28.405 28.405 29.740 -1.335 19198 2523 1 8 . 1 1 68 68 GLU H H 68 8.546 8.546 8.160 0.386 19198 2524 1 8 . 1 1 69 69 VAL N N 69 125.782 125.782 122.807 2.975 19198 2525 1 8 . 1 1 69 69 VAL HA H 69 4.046 4.046 4.466 -0.420 19198 2526 1 8 . 1 1 69 69 VAL CA C 69 59.775 59.775 61.890 -2.115 19198 2527 1 8 . 1 1 69 69 VAL CB C 69 30.174 30.174 31.754 -1.580 19198 2528 1 8 . 1 1 69 69 VAL H H 69 8.422 8.422 8.546 -0.124 19198 2529 1 9 . 1 1 3 3 ASP N N 3 120.996 120.996 121.487 -0.491 19198 2530 1 9 . 1 1 3 3 ASP H H 3 8.416 8.416 7.990 0.426 19198 2531 1 9 . 1 1 4 4 ARG N N 4 120.957 120.957 124.429 -3.472 19198 2532 1 9 . 1 1 4 4 ARG H H 4 8.187 8.187 8.253 -0.066 19198 2533 1 9 . 1 1 5 5 LYS N N 5 122.746 122.746 121.546 1.200 19198 2534 1 9 . 1 1 5 5 LYS HA H 5 4.209 4.209 4.588 -0.379 19198 2535 1 9 . 1 1 5 5 LYS CA C 5 53.562 53.562 56.380 -2.818 19198 2536 1 9 . 1 1 5 5 LYS CB C 5 30.595 30.595 33.531 -2.936 19198 2537 1 9 . 1 1 5 5 LYS H H 5 8.223 8.223 8.343 -0.120 19198 2538 1 9 . 1 1 6 6 LEU N N 6 124.432 124.432 123.779 0.653 19198 2539 1 9 . 1 1 6 6 LEU HA H 6 4.345 4.345 4.719 -0.374 19198 2540 1 9 . 1 1 6 6 LEU CA C 6 52.051 52.051 54.101 -2.050 19198 2541 1 9 . 1 1 6 6 LEU CB C 6 39.833 39.833 43.396 -3.563 19198 2542 1 9 . 1 1 6 6 LEU H H 6 8.258 8.258 8.484 -0.226 19198 2543 1 9 . 1 1 7 7 MET N N 7 122.420 122.420 120.509 1.911 19198 2544 1 9 . 1 1 7 7 MET HA H 7 4.529 4.529 4.645 -0.116 19198 2545 1 9 . 1 1 7 7 MET CA C 7 52.288 52.288 53.760 -1.472 19198 2546 1 9 . 1 1 7 7 MET CB C 7 30.827 30.827 33.080 -2.253 19198 2547 1 9 . 1 1 7 7 MET H H 7 8.284 8.284 8.393 -0.109 19198 2548 1 9 . 1 1 8 8 LYS N N 8 124.204 124.204 121.457 2.747 19198 2549 1 9 . 1 1 8 8 LYS HA H 8 4.461 4.461 4.419 0.042 19198 2550 1 9 . 1 1 8 8 LYS CA C 8 53.986 53.986 56.500 -2.514 19198 2551 1 9 . 1 1 8 8 LYS CB C 8 31.771 31.771 32.845 -1.074 19198 2552 1 9 . 1 1 8 8 LYS H H 8 9.420 9.420 8.358 1.062 19198 2553 1 9 . 1 1 9 9 THR N N 9 113.488 113.488 116.910 -3.422 19198 2554 1 9 . 1 1 9 9 THR HA H 9 4.366 4.366 4.489 -0.123 19198 2555 1 9 . 1 1 9 9 THR CA C 9 57.964 57.964 61.842 -3.878 19198 2556 1 9 . 1 1 9 9 THR CB C 9 68.912 68.912 70.744 -1.832 19198 2557 1 9 . 1 1 9 9 THR H H 9 8.817 8.817 8.476 0.341 19198 2558 1 9 . 1 1 10 10 GLN N N 10 121.509 121.509 121.213 0.296 19198 2559 1 9 . 1 1 10 10 GLN HA H 10 3.012 3.012 3.338 -0.326 19198 2560 1 9 . 1 1 10 10 GLN CA C 10 57.666 57.666 59.407 -1.741 19198 2561 1 9 . 1 1 10 10 GLN CB C 10 24.850 24.850 27.850 -3.000 19198 2562 1 9 . 1 1 10 10 GLN H H 10 8.586 8.586 8.630 -0.044 19198 2563 1 9 . 1 1 11 11 GLU N N 11 121.406 121.406 120.210 1.196 19198 2564 1 9 . 1 1 11 11 GLU HA H 11 3.801 3.801 3.951 -0.150 19198 2565 1 9 . 1 1 11 11 GLU CA C 11 57.739 57.739 59.782 -2.043 19198 2566 1 9 . 1 1 11 11 GLU CB C 11 26.332 26.332 29.061 -2.729 19198 2567 1 9 . 1 1 11 11 GLU H H 11 8.998 8.998 8.413 0.585 19198 2568 1 9 . 1 1 12 12 GLU N N 12 120.601 120.601 119.802 0.799 19198 2569 1 9 . 1 1 12 12 GLU HA H 12 3.864 3.864 4.006 -0.142 19198 2570 1 9 . 1 1 12 12 GLU CA C 12 56.542 56.542 59.379 -2.837 19198 2571 1 9 . 1 1 12 12 GLU CB C 12 27.796 27.796 29.680 -1.884 19198 2572 1 9 . 1 1 12 12 GLU H H 12 7.688 7.688 7.750 -0.062 19198 2573 1 9 . 1 1 13 13 LEU N N 13 117.867 117.867 119.092 -1.225 19198 2574 1 9 . 1 1 13 13 LEU HA H 13 3.755 3.755 3.985 -0.230 19198 2575 1 9 . 1 1 13 13 LEU CA C 13 54.855 54.855 58.220 -3.365 19198 2576 1 9 . 1 1 13 13 LEU CB C 13 40.140 40.140 41.770 -1.630 19198 2577 1 9 . 1 1 13 13 LEU H H 13 8.172 8.172 7.891 0.281 19198 2578 1 9 . 1 1 14 14 THR N N 14 115.136 115.136 116.090 -0.954 19198 2579 1 9 . 1 1 14 14 THR HA H 14 3.256 3.256 3.847 -0.591 19198 2580 1 9 . 1 1 14 14 THR CA C 14 64.768 64.768 67.207 -2.438 19198 2581 1 9 . 1 1 14 14 THR CB C 14 65.545 65.545 68.550 -3.005 19198 2582 1 9 . 1 1 14 14 THR H H 14 8.166 8.166 8.004 0.163 19198 2583 1 9 . 1 1 15 15 GLU N N 15 120.674 120.674 120.994 -0.320 19198 2584 1 9 . 1 1 15 15 GLU HA H 15 3.857 3.857 4.086 -0.229 19198 2585 1 9 . 1 1 15 15 GLU CA C 15 56.467 56.467 59.317 -2.850 19198 2586 1 9 . 1 1 15 15 GLU CB C 15 26.370 26.370 29.277 -2.907 19198 2587 1 9 . 1 1 15 15 GLU H H 15 7.504 7.504 8.315 -0.811 19198 2588 1 9 . 1 1 16 16 ILE N N 16 119.946 119.946 121.000 -1.054 19198 2589 1 9 . 1 1 16 16 ILE HA H 16 3.602 3.602 3.664 -0.062 19198 2590 1 9 . 1 1 16 16 ILE CA C 16 62.428 62.428 65.635 -3.207 19198 2591 1 9 . 1 1 16 16 ILE CB C 16 35.913 35.913 37.909 -1.996 19198 2592 1 9 . 1 1 16 16 ILE H H 16 7.162 7.162 8.170 -1.008 19198 2593 1 9 . 1 1 17 17 VAL N N 17 120.087 120.087 118.318 1.769 19198 2594 1 9 . 1 1 17 17 VAL HA H 17 3.001 3.001 3.447 -0.446 19198 2595 1 9 . 1 1 17 17 VAL CA C 17 64.706 64.706 66.164 -1.458 19198 2596 1 9 . 1 1 17 17 VAL CB C 17 28.391 28.391 30.866 -2.475 19198 2597 1 9 . 1 1 17 17 VAL H H 17 7.539 7.539 7.536 0.003 19198 2598 1 9 . 1 1 18 18 ARG N N 18 121.099 121.099 120.866 0.233 19198 2599 1 9 . 1 1 18 18 ARG HA H 18 3.438 3.438 3.988 -0.550 19198 2600 1 9 . 1 1 18 18 ARG CA C 18 57.834 57.834 60.148 -2.314 19198 2601 1 9 . 1 1 18 18 ARG CB C 18 27.388 27.388 30.118 -2.730 19198 2602 1 9 . 1 1 18 18 ARG H H 18 8.708 8.708 8.584 0.124 19198 2603 1 9 . 1 1 19 19 ASP N N 19 118.955 118.955 117.531 1.424 19198 2604 1 9 . 1 1 19 19 ASP HA H 19 4.215 4.215 4.451 -0.236 19198 2605 1 9 . 1 1 19 19 ASP CA C 19 54.604 54.604 56.417 -1.813 19198 2606 1 9 . 1 1 19 19 ASP CB C 19 37.705 37.705 40.608 -2.902 19198 2607 1 9 . 1 1 19 19 ASP H H 19 8.286 8.286 7.988 0.298 19198 2608 1 9 . 1 1 20 20 HIS N N 20 116.419 116.419 116.511 -0.092 19198 2609 1 9 . 1 1 20 20 HIS HA H 20 4.147 4.147 4.343 -0.196 19198 2610 1 9 . 1 1 20 20 HIS CA C 20 56.243 56.243 59.221 -2.978 19198 2611 1 9 . 1 1 20 20 HIS CB C 20 26.196 26.196 30.299 -4.103 19198 2612 1 9 . 1 1 20 20 HIS H H 20 7.532 7.532 8.112 -0.580 19198 2613 1 9 . 1 1 21 21 PHE N N 21 116.347 116.347 117.529 -1.182 19198 2614 1 9 . 1 1 21 21 PHE HA H 21 4.463 4.463 4.955 -0.492 19198 2615 1 9 . 1 1 21 21 PHE CA C 21 58.279 58.279 58.886 -0.607 19198 2616 1 9 . 1 1 21 21 PHE CB C 21 36.780 36.780 41.519 -4.739 19198 2617 1 9 . 1 1 21 21 PHE H H 21 7.983 7.983 8.090 -0.107 19198 2618 1 9 . 1 1 22 22 SER N N 22 116.555 116.555 116.916 -0.361 19198 2619 1 9 . 1 1 22 22 SER HA H 22 4.541 4.541 4.352 0.189 19198 2620 1 9 . 1 1 22 22 SER CA C 22 59.013 59.013 60.846 -1.833 19198 2621 1 9 . 1 1 22 22 SER CB C 22 60.225 60.225 63.041 -2.816 19198 2622 1 9 . 1 1 22 22 SER H H 22 8.578 8.578 8.643 -0.065 19198 2623 1 9 . 1 1 23 23 ASP N N 23 118.564 118.564 119.902 -1.338 19198 2624 1 9 . 1 1 23 23 ASP HA H 23 4.581 4.581 4.761 -0.180 19198 2625 1 9 . 1 1 23 23 ASP CA C 23 52.796 52.796 54.658 -1.862 19198 2626 1 9 . 1 1 23 23 ASP CB C 23 38.460 38.460 41.151 -2.691 19198 2627 1 9 . 1 1 23 23 ASP H H 23 7.246 7.246 8.158 -0.912 19198 2628 1 9 . 1 1 24 24 MET N N 24 116.378 116.378 117.639 -1.261 19198 2629 1 9 . 1 1 24 24 MET HA H 24 4.207 4.207 4.678 -0.471 19198 2630 1 9 . 1 1 24 24 MET CA C 24 53.696 53.696 55.001 -1.305 19198 2631 1 9 . 1 1 24 24 MET CB C 24 32.101 32.101 34.481 -2.380 19198 2632 1 9 . 1 1 24 24 MET H H 24 7.958 7.958 7.822 0.136 19198 2633 1 9 . 1 1 25 25 GLY N N 25 107.470 107.470 108.070 -0.600 19198 2634 1 9 . 1 1 25 25 GLY CA C 25 42.230 42.230 45.335 -3.105 19198 2635 1 9 . 1 1 25 25 GLY H H 25 7.475 7.475 7.673 -0.198 19198 2636 1 9 . 1 1 26 26 GLU N N 26 117.869 117.869 121.005 -3.136 19198 2637 1 9 . 1 1 26 26 GLU HA H 26 4.452 4.452 4.436 0.016 19198 2638 1 9 . 1 1 26 26 GLU CA C 26 52.851 52.851 55.078 -2.227 19198 2639 1 9 . 1 1 26 26 GLU CB C 26 27.412 27.412 29.949 -2.537 19198 2640 1 9 . 1 1 26 26 GLU H H 26 8.397 8.397 7.720 0.677 19198 2641 1 9 . 1 1 27 27 ILE N N 27 129.460 129.460 123.377 6.083 19198 2642 1 9 . 1 1 27 27 ILE HA H 27 3.206 3.206 3.744 -0.538 19198 2643 1 9 . 1 1 27 27 ILE CA C 27 61.133 61.133 61.831 -0.698 19198 2644 1 9 . 1 1 27 27 ILE CB C 27 36.987 36.987 37.617 -0.630 19198 2645 1 9 . 1 1 27 27 ILE H H 27 8.980 8.980 8.559 0.421 19198 2646 1 9 . 1 1 28 28 ALA N N 28 131.875 131.875 131.229 0.646 19198 2647 1 9 . 1 1 28 28 ALA HA H 28 4.492 4.492 4.159 0.333 19198 2648 1 9 . 1 1 28 28 ALA CA C 28 50.949 50.949 53.583 -2.634 19198 2649 1 9 . 1 1 28 28 ALA CB C 28 17.101 17.101 20.115 -3.014 19198 2650 1 9 . 1 1 28 28 ALA H H 28 9.208 9.208 8.651 0.557 19198 2651 1 9 . 1 1 29 29 THR N N 29 112.070 112.070 113.616 -1.546 19198 2652 1 9 . 1 1 29 29 THR HA H 29 4.346 4.346 4.526 -0.180 19198 2653 1 9 . 1 1 29 29 THR CA C 29 58.963 58.963 62.009 -3.046 19198 2654 1 9 . 1 1 29 29 THR CB C 29 69.475 69.475 71.547 -2.072 19198 2655 1 9 . 1 1 29 29 THR H H 29 7.803 7.803 8.051 -0.248 19198 2656 1 9 . 1 1 30 30 LEU N N 30 129.754 129.754 128.407 1.347 19198 2657 1 9 . 1 1 30 30 LEU HA H 30 4.878 4.878 4.817 0.061 19198 2658 1 9 . 1 1 30 30 LEU CA C 30 52.316 52.316 54.874 -2.558 19198 2659 1 9 . 1 1 30 30 LEU CB C 30 42.195 42.195 43.363 -1.168 19198 2660 1 9 . 1 1 30 30 LEU H H 30 8.388 8.388 8.699 -0.311 19198 2661 1 9 . 1 1 31 31 TYR N N 31 124.642 124.642 126.137 -1.495 19198 2662 1 9 . 1 1 31 31 TYR HA H 31 5.108 5.108 4.938 0.170 19198 2663 1 9 . 1 1 31 31 TYR CA C 31 52.174 52.174 55.412 -3.238 19198 2664 1 9 . 1 1 31 31 TYR CB C 31 38.406 38.406 39.957 -1.551 19198 2665 1 9 . 1 1 31 31 TYR H H 31 8.837 8.837 8.769 0.068 19198 2666 1 9 . 1 1 32 32 VAL N N 32 121.165 121.165 120.012 1.153 19198 2667 1 9 . 1 1 32 32 VAL HA H 32 4.083 4.083 4.147 -0.064 19198 2668 1 9 . 1 1 32 32 VAL CA C 32 59.645 59.645 61.096 -1.451 19198 2669 1 9 . 1 1 32 32 VAL CB C 32 32.016 32.016 34.340 -2.324 19198 2670 1 9 . 1 1 32 32 VAL H H 32 8.684 8.684 8.094 0.590 19198 2671 1 9 . 1 1 33 33 GLN N N 33 126.911 126.911 124.429 2.482 19198 2672 1 9 . 1 1 33 33 GLN HA H 33 4.462 4.462 4.280 0.182 19198 2673 1 9 . 1 1 33 33 GLN CA C 33 54.266 54.266 56.088 -1.822 19198 2674 1 9 . 1 1 33 33 GLN CB C 33 28.717 28.717 30.522 -1.805 19198 2675 1 9 . 1 1 33 33 GLN H H 33 9.633 9.633 8.510 1.123 19198 2676 1 9 . 1 1 34 34 VAL N N 34 117.041 117.041 117.064 -0.023 19198 2677 1 9 . 1 1 34 34 VAL HA H 34 4.313 4.313 4.250 0.063 19198 2678 1 9 . 1 1 34 34 VAL CA C 34 59.270 59.270 61.855 -2.585 19198 2679 1 9 . 1 1 34 34 VAL CB C 34 33.725 33.725 33.864 -0.139 19198 2680 1 9 . 1 1 34 34 VAL H H 34 7.840 7.840 7.522 0.318 19198 2681 1 9 . 1 1 35 35 TYR N N 35 128.263 128.263 128.881 -0.618 19198 2682 1 9 . 1 1 35 35 TYR HA H 35 5.415 5.415 5.261 0.154 19198 2683 1 9 . 1 1 35 35 TYR CA C 35 52.594 52.594 55.595 -3.001 19198 2684 1 9 . 1 1 35 35 TYR CB C 35 38.583 38.583 40.440 -1.857 19198 2685 1 9 . 1 1 35 35 TYR H H 35 8.580 8.580 8.525 0.055 19198 2686 1 9 . 1 1 36 36 GLU N N 36 129.574 129.574 127.333 2.241 19198 2687 1 9 . 1 1 36 36 GLU HA H 36 4.403 4.403 4.256 0.147 19198 2688 1 9 . 1 1 36 36 GLU CA C 36 51.421 51.421 55.669 -4.247 19198 2689 1 9 . 1 1 36 36 GLU CB C 36 28.035 28.035 29.940 -1.905 19198 2690 1 9 . 1 1 36 36 GLU H H 36 8.118 8.118 8.038 0.080 19198 2691 1 9 . 1 1 37 37 SER N N 37 121.805 121.805 120.028 1.777 19198 2692 1 9 . 1 1 37 37 SER HA H 37 3.754 3.754 3.994 -0.240 19198 2693 1 9 . 1 1 37 37 SER CA C 37 57.817 57.817 59.581 -1.764 19198 2694 1 9 . 1 1 37 37 SER CB C 37 60.041 60.041 63.464 -3.423 19198 2695 1 9 . 1 1 37 37 SER H H 37 8.312 8.312 8.208 0.104 19198 2696 1 9 . 1 1 38 38 SER N N 38 116.337 116.337 113.959 2.378 19198 2697 1 9 . 1 1 38 38 SER HA H 38 4.214 4.214 4.551 -0.337 19198 2698 1 9 . 1 1 38 38 SER CA C 38 58.237 58.237 58.035 0.202 19198 2699 1 9 . 1 1 38 38 SER CB C 38 60.243 60.243 64.088 -3.845 19198 2700 1 9 . 1 1 38 38 SER H H 38 8.389 8.389 7.662 0.727 19198 2701 1 9 . 1 1 39 39 LEU N N 39 119.070 119.070 120.395 -1.325 19198 2702 1 9 . 1 1 39 39 LEU HA H 39 4.414 4.414 4.491 -0.077 19198 2703 1 9 . 1 1 39 39 LEU CA C 39 51.365 51.365 54.222 -2.857 19198 2704 1 9 . 1 1 39 39 LEU CB C 39 40.504 40.504 45.815 -5.311 19198 2705 1 9 . 1 1 39 39 LEU H H 39 6.905 6.905 7.122 -0.217 19198 2706 1 9 . 1 1 40 40 GLU N N 40 118.837 118.837 120.920 -2.083 19198 2707 1 9 . 1 1 40 40 GLU HA H 40 3.781 3.781 4.418 -0.637 19198 2708 1 9 . 1 1 40 40 GLU CA C 40 54.621 54.621 56.404 -1.783 19198 2709 1 9 . 1 1 40 40 GLU CB C 40 26.307 26.307 28.488 -2.181 19198 2710 1 9 . 1 1 40 40 GLU H H 40 7.814 7.814 8.688 -0.874 19198 2711 1 9 . 1 1 41 41 SER N N 41 110.546 110.546 115.954 -5.408 19198 2712 1 9 . 1 1 41 41 SER HA H 41 5.730 5.730 4.883 0.847 19198 2713 1 9 . 1 1 41 41 SER CA C 41 52.696 52.696 57.899 -5.203 19198 2714 1 9 . 1 1 41 41 SER CB C 41 63.820 63.820 64.744 -0.924 19198 2715 1 9 . 1 1 41 41 SER H H 41 7.452 7.452 7.780 -0.328 19198 2716 1 9 . 1 1 42 42 LEU N N 42 124.649 124.649 129.732 -5.083 19198 2717 1 9 . 1 1 42 42 LEU HA H 42 5.384 5.384 4.888 0.496 19198 2718 1 9 . 1 1 42 42 LEU CA C 42 51.231 51.231 54.145 -2.913 19198 2719 1 9 . 1 1 42 42 LEU CB C 42 46.451 46.451 45.118 1.333 19198 2720 1 9 . 1 1 42 42 LEU H H 42 9.281 9.281 8.142 1.139 19198 2721 1 9 . 1 1 43 43 VAL N N 43 125.093 125.093 124.815 0.278 19198 2722 1 9 . 1 1 43 43 VAL HA H 43 4.629 4.629 5.298 -0.669 19198 2723 1 9 . 1 1 43 43 VAL CA C 43 58.185 58.185 59.852 -1.667 19198 2724 1 9 . 1 1 43 43 VAL CB C 43 33.136 33.136 35.206 -2.070 19198 2725 1 9 . 1 1 43 43 VAL H H 43 8.849 8.849 8.068 0.781 19198 2726 1 9 . 1 1 44 44 GLY N N 44 114.807 114.807 112.076 2.731 19198 2727 1 9 . 1 1 44 44 GLY CA C 44 43.685 43.685 45.252 -1.567 19198 2728 1 9 . 1 1 44 44 GLY H H 44 7.156 7.156 8.437 -1.281 19198 2729 1 9 . 1 1 45 45 GLY N N 45 117.443 117.443 108.701 8.742 19198 2730 1 9 . 1 1 45 45 GLY CA C 45 43.268 43.268 45.215 -1.947 19198 2731 1 9 . 1 1 45 45 GLY H H 45 8.582 8.582 7.800 0.782 19198 2732 1 9 . 1 1 46 46 VAL N N 46 117.075 117.075 117.851 -0.776 19198 2733 1 9 . 1 1 46 46 VAL HA H 46 4.726 4.726 4.644 0.082 19198 2734 1 9 . 1 1 46 46 VAL CA C 46 56.843 56.843 59.470 -2.627 19198 2735 1 9 . 1 1 46 46 VAL CB C 46 33.568 33.568 34.615 -1.047 19198 2736 1 9 . 1 1 46 46 VAL H H 46 8.875 8.875 7.901 0.974 19198 2737 1 9 . 1 1 47 47 ILE N N 47 125.899 125.899 127.832 -1.933 19198 2738 1 9 . 1 1 47 47 ILE HA H 47 4.778 4.778 4.324 0.454 19198 2739 1 9 . 1 1 47 47 ILE CB C 47 37.664 37.664 38.916 -1.252 19198 2740 1 9 . 1 1 47 47 ILE H H 47 8.765 8.765 8.308 0.457 19198 2741 1 9 . 1 1 48 48 PHE N N 48 126.624 126.624 127.230 -0.606 19198 2742 1 9 . 1 1 48 48 PHE HA H 48 4.777 4.777 4.832 -0.055 19198 2743 1 9 . 1 1 48 48 PHE CA C 48 56.162 56.162 56.490 -0.328 19198 2744 1 9 . 1 1 48 48 PHE CB C 48 38.742 38.742 39.828 -1.086 19198 2745 1 9 . 1 1 48 48 PHE H H 48 9.269 9.269 8.566 0.703 19198 2746 1 9 . 1 1 49 49 GLU N N 49 123.550 123.550 122.798 0.752 19198 2747 1 9 . 1 1 49 49 GLU HA H 49 4.021 4.021 3.979 0.042 19198 2748 1 9 . 1 1 49 49 GLU CA C 49 56.574 56.574 59.236 -2.662 19198 2749 1 9 . 1 1 49 49 GLU CB C 49 26.939 26.939 29.654 -2.716 19198 2750 1 9 . 1 1 49 49 GLU H H 49 9.331 9.331 8.474 0.857 19198 2751 1 9 . 1 1 50 50 ASP N N 50 113.383 113.383 116.971 -3.588 19198 2752 1 9 . 1 1 50 50 ASP HA H 50 4.443 4.443 4.654 -0.211 19198 2753 1 9 . 1 1 50 50 ASP CA C 50 51.307 51.307 54.350 -3.043 19198 2754 1 9 . 1 1 50 50 ASP CB C 50 38.062 38.062 40.781 -2.719 19198 2755 1 9 . 1 1 50 50 ASP H H 50 7.674 7.674 8.221 -0.547 19198 2756 1 9 . 1 1 51 51 GLY N N 51 107.745 107.745 109.022 -1.277 19198 2757 1 9 . 1 1 51 51 GLY CA C 51 42.245 42.245 45.408 -3.163 19198 2758 1 9 . 1 1 51 51 GLY H H 51 7.884 7.884 7.639 0.245 19198 2759 1 9 . 1 1 52 52 ARG N N 52 120.713 120.713 120.189 0.524 19198 2760 1 9 . 1 1 52 52 ARG HA H 52 4.292 4.292 4.449 -0.157 19198 2761 1 9 . 1 1 52 52 ARG CA C 52 55.314 55.314 54.163 1.151 19198 2762 1 9 . 1 1 52 52 ARG CB C 52 29.759 29.759 31.152 -1.393 19198 2763 1 9 . 1 1 52 52 ARG H H 52 7.880 7.880 7.588 0.292 19198 2764 1 9 . 1 1 53 53 HIS N N 53 120.216 120.216 125.183 -4.967 19198 2765 1 9 . 1 1 53 53 HIS HA H 53 5.671 5.671 4.961 0.710 19198 2766 1 9 . 1 1 53 53 HIS CA C 53 50.579 50.579 54.892 -4.313 19198 2767 1 9 . 1 1 53 53 HIS CB C 53 29.165 29.165 30.802 -1.637 19198 2768 1 9 . 1 1 53 53 HIS H H 53 8.961 8.961 8.606 0.355 19198 2769 1 9 . 1 1 54 54 TYR N N 54 121.480 121.480 126.403 -4.923 19198 2770 1 9 . 1 1 54 54 TYR HA H 54 5.574 5.574 4.719 0.855 19198 2771 1 9 . 1 1 54 54 TYR CA C 54 53.397 53.397 55.112 -1.715 19198 2772 1 9 . 1 1 54 54 TYR CB C 54 39.788 39.788 40.418 -0.630 19198 2773 1 9 . 1 1 54 54 TYR H H 54 9.259 9.259 8.922 0.337 19198 2774 1 9 . 1 1 55 55 THR N N 55 113.818 113.818 111.592 2.226 19198 2775 1 9 . 1 1 55 55 THR HA H 55 5.013 5.013 4.131 0.882 19198 2776 1 9 . 1 1 55 55 THR CA C 55 57.994 57.994 59.766 -1.772 19198 2777 1 9 . 1 1 55 55 THR CB C 55 67.733 67.733 69.792 -2.059 19198 2778 1 9 . 1 1 55 55 THR H H 55 9.242 9.242 7.947 1.295 19198 2779 1 9 . 1 1 56 56 PHE HA H 56 5.987 5.987 5.000 0.987 19198 2780 1 9 . 1 1 56 56 PHE CA C 56 53.946 53.946 56.882 -2.936 19198 2781 1 9 . 1 1 56 56 PHE CB C 56 42.416 42.416 42.778 -0.362 19198 2782 1 9 . 1 1 57 57 VAL N N 57 120.407 120.407 126.379 -5.972 19198 2783 1 9 . 1 1 57 57 VAL HA H 57 4.683 4.683 4.594 0.089 19198 2784 1 9 . 1 1 57 57 VAL CA C 57 59.696 59.696 62.386 -2.690 19198 2785 1 9 . 1 1 57 57 VAL CB C 57 33.227 33.227 33.752 -0.525 19198 2786 1 9 . 1 1 57 57 VAL H H 57 9.076 9.076 8.821 0.255 19198 2787 1 9 . 1 1 58 58 TYR N N 58 131.325 131.325 130.117 1.208 19198 2788 1 9 . 1 1 58 58 TYR HA H 58 5.504 5.504 4.809 0.695 19198 2789 1 9 . 1 1 58 58 TYR CA C 58 53.883 53.883 56.700 -2.817 19198 2790 1 9 . 1 1 58 58 TYR CB C 58 38.558 38.558 38.546 0.012 19198 2791 1 9 . 1 1 58 58 TYR H H 58 9.821 9.821 7.977 1.844 19198 2792 1 9 . 1 1 59 59 GLU N N 59 123.904 123.904 126.350 -2.446 19198 2793 1 9 . 1 1 59 59 GLU HA H 59 4.519 4.519 4.551 -0.032 19198 2794 1 9 . 1 1 59 59 GLU CA C 59 52.718 52.718 54.341 -1.623 19198 2795 1 9 . 1 1 59 59 GLU CB C 59 29.084 29.084 32.453 -3.369 19198 2796 1 9 . 1 1 59 59 GLU H H 59 8.182 8.182 8.182 0.000 19198 2797 1 9 . 1 1 60 60 ASN N N 60 123.227 123.227 120.845 2.382 19198 2798 1 9 . 1 1 60 60 ASN HA H 60 4.247 4.247 4.176 0.071 19198 2799 1 9 . 1 1 60 60 ASN CA C 60 51.876 51.876 56.066 -4.190 19198 2800 1 9 . 1 1 60 60 ASN CB C 60 34.949 34.949 38.367 -3.418 19198 2801 1 9 . 1 1 60 60 ASN H H 60 9.566 9.566 8.835 0.731 19198 2802 1 9 . 1 1 61 61 GLU N N 61 107.647 107.647 114.825 -7.178 19198 2803 1 9 . 1 1 61 61 GLU HA H 61 3.500 3.500 4.293 -0.793 19198 2804 1 9 . 1 1 61 61 GLU CA C 61 54.765 54.765 55.934 -1.169 19198 2805 1 9 . 1 1 61 61 GLU CB C 61 25.167 25.167 31.181 -6.014 19198 2806 1 9 . 1 1 61 61 GLU H H 61 8.387 8.387 8.106 0.281 19198 2807 1 9 . 1 1 62 62 ASP N N 62 119.350 119.350 120.647 -1.297 19198 2808 1 9 . 1 1 62 62 ASP HA H 62 4.724 4.724 4.976 -0.252 19198 2809 1 9 . 1 1 62 62 ASP CB C 62 41.251 41.251 44.792 -3.541 19198 2810 1 9 . 1 1 62 62 ASP H H 62 7.314 7.314 8.096 -0.782 19198 2811 1 9 . 1 1 63 63 LEU N N 63 123.998 123.998 123.126 0.872 19198 2812 1 9 . 1 1 63 63 LEU HA H 63 5.037 5.037 4.772 0.265 19198 2813 1 9 . 1 1 63 63 LEU CA C 63 51.075 51.075 54.398 -3.323 19198 2814 1 9 . 1 1 63 63 LEU CB C 63 42.312 42.312 44.910 -2.598 19198 2815 1 9 . 1 1 63 63 LEU H H 63 8.226 8.226 8.370 -0.144 19198 2816 1 9 . 1 1 64 64 VAL N N 64 127.167 127.167 126.659 0.508 19198 2817 1 9 . 1 1 64 64 VAL HA H 64 4.361 4.361 4.477 -0.116 19198 2818 1 9 . 1 1 64 64 VAL CA C 64 58.470 58.470 62.288 -3.818 19198 2819 1 9 . 1 1 64 64 VAL CB C 64 31.939 31.939 33.662 -1.723 19198 2820 1 9 . 1 1 64 64 VAL H H 64 8.915 8.915 8.474 0.441 19198 2821 1 9 . 1 1 65 65 TYR N N 65 121.421 121.421 124.804 -3.383 19198 2822 1 9 . 1 1 65 65 TYR HA H 65 5.893 5.893 4.777 1.116 19198 2823 1 9 . 1 1 65 65 TYR CA C 65 53.115 53.115 57.818 -4.703 19198 2824 1 9 . 1 1 65 65 TYR CB C 65 39.948 39.948 41.413 -1.465 19198 2825 1 9 . 1 1 65 65 TYR H H 65 8.207 8.207 8.403 -0.196 19198 2826 1 9 . 1 1 66 66 GLU N N 66 117.842 117.842 120.017 -2.175 19198 2827 1 9 . 1 1 66 66 GLU HA H 66 4.793 4.793 4.405 0.388 19198 2828 1 9 . 1 1 66 66 GLU CB C 66 30.949 30.949 32.411 -1.462 19198 2829 1 9 . 1 1 66 66 GLU H H 66 8.875 8.875 8.980 -0.105 19198 2830 1 9 . 1 1 67 67 GLU N N 67 125.220 125.220 120.632 4.588 19198 2831 1 9 . 1 1 67 67 GLU HA H 67 4.084 4.084 4.791 -0.707 19198 2832 1 9 . 1 1 67 67 GLU CA C 67 54.157 54.157 55.250 -1.093 19198 2833 1 9 . 1 1 67 67 GLU CB C 67 27.697 27.697 32.917 -5.220 19198 2834 1 9 . 1 1 67 67 GLU H H 67 9.033 9.033 7.990 1.043 19198 2835 1 9 . 1 1 68 68 GLU N N 68 127.058 127.058 123.809 3.249 19198 2836 1 9 . 1 1 68 68 GLU HA H 68 4.358 4.358 4.085 0.273 19198 2837 1 9 . 1 1 68 68 GLU CA C 68 53.193 53.193 56.857 -3.664 19198 2838 1 9 . 1 1 68 68 GLU CB C 68 28.405 28.405 29.090 -0.685 19198 2839 1 9 . 1 1 68 68 GLU H H 68 8.546 8.546 8.321 0.225 19198 2840 1 9 . 1 1 69 69 VAL N N 69 125.782 125.782 122.590 3.192 19198 2841 1 9 . 1 1 69 69 VAL HA H 69 4.046 4.046 4.523 -0.477 19198 2842 1 9 . 1 1 69 69 VAL CA C 69 59.775 59.775 61.661 -1.886 19198 2843 1 9 . 1 1 69 69 VAL CB C 69 30.174 30.174 31.499 -1.325 19198 2844 1 9 . 1 1 69 69 VAL H H 69 8.422 8.422 8.028 0.394 19198 2845 1 10 . 1 1 3 3 ASP N N 3 120.996 120.996 120.426 0.570 19198 2846 1 10 . 1 1 3 3 ASP H H 3 8.416 8.416 8.282 0.134 19198 2847 1 10 . 1 1 4 4 ARG N N 4 120.957 120.957 121.474 -0.517 19198 2848 1 10 . 1 1 4 4 ARG H H 4 8.187 8.187 8.303 -0.116 19198 2849 1 10 . 1 1 5 5 LYS N N 5 122.746 122.746 120.425 2.321 19198 2850 1 10 . 1 1 5 5 LYS HA H 5 4.209 4.209 4.636 -0.427 19198 2851 1 10 . 1 1 5 5 LYS CA C 5 53.562 53.562 55.812 -2.251 19198 2852 1 10 . 1 1 5 5 LYS CB C 5 30.595 30.595 33.772 -3.177 19198 2853 1 10 . 1 1 5 5 LYS H H 5 8.223 8.223 8.137 0.086 19198 2854 1 10 . 1 1 6 6 LEU N N 6 124.432 124.432 119.513 4.919 19198 2855 1 10 . 1 1 6 6 LEU HA H 6 4.345 4.345 4.909 -0.564 19198 2856 1 10 . 1 1 6 6 LEU CA C 6 52.051 52.051 54.087 -2.036 19198 2857 1 10 . 1 1 6 6 LEU CB C 6 39.833 39.833 42.595 -2.762 19198 2858 1 10 . 1 1 6 6 LEU H H 6 8.258 8.258 8.253 0.005 19198 2859 1 10 . 1 1 7 7 MET N N 7 122.420 122.420 118.018 4.402 19198 2860 1 10 . 1 1 7 7 MET HA H 7 4.529 4.529 4.745 -0.216 19198 2861 1 10 . 1 1 7 7 MET CA C 7 52.288 52.288 54.753 -2.465 19198 2862 1 10 . 1 1 7 7 MET CB C 7 30.827 30.827 33.378 -2.551 19198 2863 1 10 . 1 1 7 7 MET H H 7 8.284 8.284 7.939 0.345 19198 2864 1 10 . 1 1 8 8 LYS N N 8 124.204 124.204 119.762 4.442 19198 2865 1 10 . 1 1 8 8 LYS HA H 8 4.461 4.461 4.313 0.148 19198 2866 1 10 . 1 1 8 8 LYS CA C 8 53.986 53.986 56.686 -2.700 19198 2867 1 10 . 1 1 8 8 LYS CB C 8 31.771 31.771 33.086 -1.315 19198 2868 1 10 . 1 1 8 8 LYS H H 8 9.420 9.420 8.589 0.831 19198 2869 1 10 . 1 1 9 9 THR N N 9 113.488 113.488 107.779 5.709 19198 2870 1 10 . 1 1 9 9 THR HA H 9 4.366 4.366 4.684 -0.318 19198 2871 1 10 . 1 1 9 9 THR CA C 9 57.964 57.964 59.821 -1.857 19198 2872 1 10 . 1 1 9 9 THR CB C 9 68.912 68.912 72.229 -3.317 19198 2873 1 10 . 1 1 9 9 THR H H 9 8.817 8.817 7.948 0.869 19198 2874 1 10 . 1 1 10 10 GLN N N 10 121.509 121.509 120.847 0.662 19198 2875 1 10 . 1 1 10 10 GLN HA H 10 3.012 3.012 3.707 -0.695 19198 2876 1 10 . 1 1 10 10 GLN CA C 10 57.666 57.666 59.879 -2.213 19198 2877 1 10 . 1 1 10 10 GLN CB C 10 24.850 24.850 28.235 -3.385 19198 2878 1 10 . 1 1 10 10 GLN H H 10 8.586 8.586 8.724 -0.138 19198 2879 1 10 . 1 1 11 11 GLU N N 11 121.406 121.406 119.719 1.687 19198 2880 1 10 . 1 1 11 11 GLU HA H 11 3.801 3.801 3.943 -0.142 19198 2881 1 10 . 1 1 11 11 GLU CA C 11 57.739 57.739 59.980 -2.241 19198 2882 1 10 . 1 1 11 11 GLU CB C 11 26.332 26.332 29.173 -2.841 19198 2883 1 10 . 1 1 11 11 GLU H H 11 8.998 8.998 8.596 0.402 19198 2884 1 10 . 1 1 12 12 GLU N N 12 120.601 120.601 119.596 1.005 19198 2885 1 10 . 1 1 12 12 GLU HA H 12 3.864 3.864 4.036 -0.172 19198 2886 1 10 . 1 1 12 12 GLU CA C 12 56.542 56.542 59.550 -3.009 19198 2887 1 10 . 1 1 12 12 GLU CB C 12 27.796 27.796 29.634 -1.838 19198 2888 1 10 . 1 1 12 12 GLU H H 12 7.688 7.688 7.726 -0.038 19198 2889 1 10 . 1 1 13 13 LEU N N 13 117.867 117.867 118.323 -0.456 19198 2890 1 10 . 1 1 13 13 LEU HA H 13 3.755 3.755 4.239 -0.484 19198 2891 1 10 . 1 1 13 13 LEU CA C 13 54.855 54.855 58.016 -3.161 19198 2892 1 10 . 1 1 13 13 LEU CB C 13 40.140 40.140 40.903 -0.763 19198 2893 1 10 . 1 1 13 13 LEU H H 13 8.172 8.172 7.901 0.271 19198 2894 1 10 . 1 1 14 14 THR N N 14 115.136 115.136 115.830 -0.694 19198 2895 1 10 . 1 1 14 14 THR HA H 14 3.256 3.256 4.069 -0.813 19198 2896 1 10 . 1 1 14 14 THR CA C 14 64.768 64.768 67.205 -2.437 19198 2897 1 10 . 1 1 14 14 THR CB C 14 65.545 65.545 68.503 -2.958 19198 2898 1 10 . 1 1 14 14 THR H H 14 8.166 8.166 8.175 -0.009 19198 2899 1 10 . 1 1 15 15 GLU N N 15 120.674 120.674 122.073 -1.399 19198 2900 1 10 . 1 1 15 15 GLU HA H 15 3.857 3.857 4.077 -0.220 19198 2901 1 10 . 1 1 15 15 GLU CA C 15 56.467 56.467 59.385 -2.917 19198 2902 1 10 . 1 1 15 15 GLU CB C 15 26.370 26.370 29.263 -2.893 19198 2903 1 10 . 1 1 15 15 GLU H H 15 7.504 7.504 8.285 -0.781 19198 2904 1 10 . 1 1 16 16 ILE N N 16 119.946 119.946 121.127 -1.181 19198 2905 1 10 . 1 1 16 16 ILE HA H 16 3.602 3.602 3.601 0.001 19198 2906 1 10 . 1 1 16 16 ILE CA C 16 62.428 62.428 66.079 -3.651 19198 2907 1 10 . 1 1 16 16 ILE CB C 16 35.913 35.913 37.750 -1.837 19198 2908 1 10 . 1 1 16 16 ILE H H 16 7.162 7.162 8.705 -1.543 19198 2909 1 10 . 1 1 17 17 VAL N N 17 120.087 120.087 119.270 0.817 19198 2910 1 10 . 1 1 17 17 VAL HA H 17 3.001 3.001 3.736 -0.735 19198 2911 1 10 . 1 1 17 17 VAL CA C 17 64.706 64.706 66.508 -1.802 19198 2912 1 10 . 1 1 17 17 VAL CB C 17 28.391 28.391 31.699 -3.308 19198 2913 1 10 . 1 1 17 17 VAL H H 17 7.539 7.539 7.471 0.068 19198 2914 1 10 . 1 1 18 18 ARG N N 18 121.099 121.099 119.811 1.288 19198 2915 1 10 . 1 1 18 18 ARG HA H 18 3.438 3.438 3.919 -0.481 19198 2916 1 10 . 1 1 18 18 ARG CA C 18 57.834 57.834 59.883 -2.049 19198 2917 1 10 . 1 1 18 18 ARG CB C 18 27.388 27.388 30.161 -2.773 19198 2918 1 10 . 1 1 18 18 ARG H H 18 8.708 8.708 8.440 0.268 19198 2919 1 10 . 1 1 19 19 ASP N N 19 118.955 118.955 118.486 0.469 19198 2920 1 10 . 1 1 19 19 ASP HA H 19 4.215 4.215 4.433 -0.218 19198 2921 1 10 . 1 1 19 19 ASP CA C 19 54.604 54.604 57.524 -2.920 19198 2922 1 10 . 1 1 19 19 ASP CB C 19 37.705 37.705 40.922 -3.217 19198 2923 1 10 . 1 1 19 19 ASP H H 19 8.286 8.286 8.403 -0.117 19198 2924 1 10 . 1 1 20 20 HIS N N 20 116.419 116.419 116.756 -0.337 19198 2925 1 10 . 1 1 20 20 HIS HA H 20 4.147 4.147 4.486 -0.339 19198 2926 1 10 . 1 1 20 20 HIS CA C 20 56.243 56.243 58.719 -2.476 19198 2927 1 10 . 1 1 20 20 HIS CB C 20 26.196 26.196 30.356 -4.160 19198 2928 1 10 . 1 1 20 20 HIS H H 20 7.532 7.532 8.476 -0.944 19198 2929 1 10 . 1 1 21 21 PHE N N 21 116.347 116.347 118.776 -2.429 19198 2930 1 10 . 1 1 21 21 PHE HA H 21 4.463 4.463 4.784 -0.321 19198 2931 1 10 . 1 1 21 21 PHE CA C 21 58.279 58.279 57.859 0.420 19198 2932 1 10 . 1 1 21 21 PHE CB C 21 36.780 36.780 40.194 -3.414 19198 2933 1 10 . 1 1 21 21 PHE H H 21 7.983 7.983 8.098 -0.115 19198 2934 1 10 . 1 1 22 22 SER N N 22 116.555 116.555 117.705 -1.150 19198 2935 1 10 . 1 1 22 22 SER HA H 22 4.541 4.541 4.312 0.229 19198 2936 1 10 . 1 1 22 22 SER CA C 22 59.013 59.013 61.799 -2.786 19198 2937 1 10 . 1 1 22 22 SER CB C 22 60.225 60.225 62.908 -2.683 19198 2938 1 10 . 1 1 22 22 SER H H 22 8.578 8.578 8.144 0.434 19198 2939 1 10 . 1 1 23 23 ASP N N 23 118.564 118.564 119.955 -1.391 19198 2940 1 10 . 1 1 23 23 ASP HA H 23 4.581 4.581 4.859 -0.278 19198 2941 1 10 . 1 1 23 23 ASP CA C 23 52.796 52.796 54.398 -1.603 19198 2942 1 10 . 1 1 23 23 ASP CB C 23 38.460 38.460 41.108 -2.648 19198 2943 1 10 . 1 1 23 23 ASP H H 23 7.246 7.246 8.231 -0.985 19198 2944 1 10 . 1 1 24 24 MET N N 24 116.378 116.378 117.921 -1.543 19198 2945 1 10 . 1 1 24 24 MET HA H 24 4.207 4.207 4.746 -0.539 19198 2946 1 10 . 1 1 24 24 MET CA C 24 53.696 53.696 55.274 -1.578 19198 2947 1 10 . 1 1 24 24 MET CB C 24 32.101 32.101 33.887 -1.786 19198 2948 1 10 . 1 1 24 24 MET H H 24 7.958 7.958 7.995 -0.037 19198 2949 1 10 . 1 1 25 25 GLY N N 25 107.470 107.470 108.266 -0.796 19198 2950 1 10 . 1 1 25 25 GLY CA C 25 42.230 42.230 44.935 -2.705 19198 2951 1 10 . 1 1 25 25 GLY H H 25 7.475 7.475 7.833 -0.358 19198 2952 1 10 . 1 1 26 26 GLU N N 26 117.869 117.869 121.052 -3.183 19198 2953 1 10 . 1 1 26 26 GLU HA H 26 4.452 4.452 4.347 0.105 19198 2954 1 10 . 1 1 26 26 GLU CA C 26 52.851 52.851 54.246 -1.395 19198 2955 1 10 . 1 1 26 26 GLU CB C 26 27.412 27.412 31.673 -4.261 19198 2956 1 10 . 1 1 26 26 GLU H H 26 8.397 8.397 7.860 0.537 19198 2957 1 10 . 1 1 27 27 ILE N N 27 129.460 129.460 122.781 6.679 19198 2958 1 10 . 1 1 27 27 ILE HA H 27 3.206 3.206 3.373 -0.167 19198 2959 1 10 . 1 1 27 27 ILE CA C 27 61.133 61.133 62.387 -1.254 19198 2960 1 10 . 1 1 27 27 ILE CB C 27 36.987 36.987 37.600 -0.613 19198 2961 1 10 . 1 1 27 27 ILE H H 27 8.980 8.980 8.197 0.783 19198 2962 1 10 . 1 1 28 28 ALA N N 28 131.875 131.875 130.567 1.308 19198 2963 1 10 . 1 1 28 28 ALA HA H 28 4.492 4.492 4.207 0.285 19198 2964 1 10 . 1 1 28 28 ALA CA C 28 50.949 50.949 53.296 -2.347 19198 2965 1 10 . 1 1 28 28 ALA CB C 28 17.101 17.101 19.531 -2.430 19198 2966 1 10 . 1 1 28 28 ALA H H 28 9.208 9.208 8.767 0.441 19198 2967 1 10 . 1 1 29 29 THR N N 29 112.070 112.070 115.984 -3.914 19198 2968 1 10 . 1 1 29 29 THR HA H 29 4.346 4.346 4.419 -0.073 19198 2969 1 10 . 1 1 29 29 THR CA C 29 58.963 58.963 62.241 -3.278 19198 2970 1 10 . 1 1 29 29 THR CB C 29 69.475 69.475 69.609 -0.133 19198 2971 1 10 . 1 1 29 29 THR H H 29 7.803 7.803 7.910 -0.107 19198 2972 1 10 . 1 1 30 30 LEU N N 30 129.754 129.754 130.101 -0.347 19198 2973 1 10 . 1 1 30 30 LEU HA H 30 4.878 4.878 4.765 0.113 19198 2974 1 10 . 1 1 30 30 LEU CA C 30 52.316 52.316 54.143 -1.827 19198 2975 1 10 . 1 1 30 30 LEU CB C 30 42.195 42.195 42.830 -0.635 19198 2976 1 10 . 1 1 30 30 LEU H H 30 8.388 8.388 8.720 -0.332 19198 2977 1 10 . 1 1 31 31 TYR N N 31 124.642 124.642 126.713 -2.071 19198 2978 1 10 . 1 1 31 31 TYR HA H 31 5.108 5.108 4.827 0.281 19198 2979 1 10 . 1 1 31 31 TYR CA C 31 52.174 52.174 56.501 -4.327 19198 2980 1 10 . 1 1 31 31 TYR CB C 31 38.406 38.406 39.555 -1.149 19198 2981 1 10 . 1 1 31 31 TYR H H 31 8.837 8.837 8.804 0.033 19198 2982 1 10 . 1 1 32 32 VAL N N 32 121.165 121.165 118.940 2.225 19198 2983 1 10 . 1 1 32 32 VAL HA H 32 4.083 4.083 4.320 -0.237 19198 2984 1 10 . 1 1 32 32 VAL CA C 32 59.645 59.645 61.037 -1.392 19198 2985 1 10 . 1 1 32 32 VAL CB C 32 32.016 32.016 34.765 -2.749 19198 2986 1 10 . 1 1 32 32 VAL H H 32 8.684 8.684 7.971 0.713 19198 2987 1 10 . 1 1 33 33 GLN N N 33 126.911 126.911 124.579 2.332 19198 2988 1 10 . 1 1 33 33 GLN HA H 33 4.462 4.462 4.274 0.188 19198 2989 1 10 . 1 1 33 33 GLN CA C 33 54.266 54.266 56.421 -2.155 19198 2990 1 10 . 1 1 33 33 GLN CB C 33 28.717 28.717 29.792 -1.075 19198 2991 1 10 . 1 1 33 33 GLN H H 33 9.633 9.633 8.379 1.254 19198 2992 1 10 . 1 1 34 34 VAL N N 34 117.041 117.041 113.755 3.286 19198 2993 1 10 . 1 1 34 34 VAL HA H 34 4.313 4.313 4.364 -0.051 19198 2994 1 10 . 1 1 34 34 VAL CA C 34 59.270 59.270 61.190 -1.920 19198 2995 1 10 . 1 1 34 34 VAL CB C 34 33.725 33.725 32.150 1.575 19198 2996 1 10 . 1 1 34 34 VAL H H 34 7.840 7.840 7.239 0.601 19198 2997 1 10 . 1 1 35 35 TYR N N 35 128.263 128.263 126.369 1.894 19198 2998 1 10 . 1 1 35 35 TYR HA H 35 5.415 5.415 4.451 0.964 19198 2999 1 10 . 1 1 35 35 TYR CA C 35 52.594 52.594 57.583 -4.989 19198 3000 1 10 . 1 1 35 35 TYR CB C 35 38.583 38.583 38.706 -0.123 19198 3001 1 10 . 1 1 35 35 TYR H H 35 8.580 8.580 8.224 0.356 19198 3002 1 10 . 1 1 36 36 GLU N N 36 129.574 129.574 129.001 0.573 19198 3003 1 10 . 1 1 36 36 GLU HA H 36 4.403 4.403 4.218 0.185 19198 3004 1 10 . 1 1 36 36 GLU CA C 36 51.421 51.421 55.310 -3.889 19198 3005 1 10 . 1 1 36 36 GLU CB C 36 28.035 28.035 28.621 -0.586 19198 3006 1 10 . 1 1 36 36 GLU H H 36 8.118 8.118 8.870 -0.752 19198 3007 1 10 . 1 1 37 37 SER N N 37 121.805 121.805 119.854 1.951 19198 3008 1 10 . 1 1 37 37 SER HA H 37 3.754 3.754 3.232 0.522 19198 3009 1 10 . 1 1 37 37 SER CA C 37 57.817 57.817 59.925 -2.107 19198 3010 1 10 . 1 1 37 37 SER CB C 37 60.041 60.041 63.072 -3.031 19198 3011 1 10 . 1 1 37 37 SER H H 37 8.312 8.312 7.669 0.643 19198 3012 1 10 . 1 1 38 38 SER N N 38 116.337 116.337 115.016 1.321 19198 3013 1 10 . 1 1 38 38 SER HA H 38 4.214 4.214 4.580 -0.366 19198 3014 1 10 . 1 1 38 38 SER CA C 38 58.237 58.237 59.279 -1.042 19198 3015 1 10 . 1 1 38 38 SER CB C 38 60.243 60.243 63.898 -3.655 19198 3016 1 10 . 1 1 38 38 SER H H 38 8.389 8.389 8.116 0.273 19198 3017 1 10 . 1 1 39 39 LEU N N 39 119.070 119.070 120.425 -1.355 19198 3018 1 10 . 1 1 39 39 LEU HA H 39 4.414 4.414 4.563 -0.149 19198 3019 1 10 . 1 1 39 39 LEU CA C 39 51.365 51.365 54.027 -2.662 19198 3020 1 10 . 1 1 39 39 LEU CB C 39 40.504 40.504 44.057 -3.553 19198 3021 1 10 . 1 1 39 39 LEU H H 39 6.905 6.905 7.190 -0.285 19198 3022 1 10 . 1 1 40 40 GLU N N 40 118.837 118.837 119.530 -0.693 19198 3023 1 10 . 1 1 40 40 GLU HA H 40 3.781 3.781 4.597 -0.816 19198 3024 1 10 . 1 1 40 40 GLU CA C 40 54.621 54.621 55.611 -0.990 19198 3025 1 10 . 1 1 40 40 GLU CB C 40 26.307 26.307 29.130 -2.823 19198 3026 1 10 . 1 1 40 40 GLU H H 40 7.814 7.814 8.487 -0.673 19198 3027 1 10 . 1 1 41 41 SER N N 41 110.546 110.546 115.274 -4.728 19198 3028 1 10 . 1 1 41 41 SER HA H 41 5.730 5.730 4.689 1.041 19198 3029 1 10 . 1 1 41 41 SER CA C 41 52.696 52.696 56.548 -3.852 19198 3030 1 10 . 1 1 41 41 SER CB C 41 63.820 63.820 65.892 -2.072 19198 3031 1 10 . 1 1 41 41 SER H H 41 7.452 7.452 8.349 -0.897 19198 3032 1 10 . 1 1 42 42 LEU N N 42 124.649 124.649 124.340 0.309 19198 3033 1 10 . 1 1 42 42 LEU HA H 42 5.384 5.384 4.765 0.619 19198 3034 1 10 . 1 1 42 42 LEU CA C 42 51.231 51.231 55.051 -3.820 19198 3035 1 10 . 1 1 42 42 LEU CB C 42 46.451 46.451 44.960 1.491 19198 3036 1 10 . 1 1 42 42 LEU H H 42 9.281 9.281 8.137 1.144 19198 3037 1 10 . 1 1 43 43 VAL N N 43 125.093 125.093 123.437 1.656 19198 3038 1 10 . 1 1 43 43 VAL HA H 43 4.629 4.629 5.420 -0.791 19198 3039 1 10 . 1 1 43 43 VAL CA C 43 58.185 58.185 60.296 -2.111 19198 3040 1 10 . 1 1 43 43 VAL CB C 43 33.136 33.136 35.439 -2.303 19198 3041 1 10 . 1 1 43 43 VAL H H 43 8.849 8.849 8.390 0.459 19198 3042 1 10 . 1 1 44 44 GLY N N 44 114.807 114.807 109.151 5.656 19198 3043 1 10 . 1 1 44 44 GLY CA C 44 43.685 43.685 45.358 -1.673 19198 3044 1 10 . 1 1 44 44 GLY H H 44 7.156 7.156 8.418 -1.262 19198 3045 1 10 . 1 1 45 45 GLY N N 45 117.443 117.443 108.344 9.099 19198 3046 1 10 . 1 1 45 45 GLY CA C 45 43.268 43.268 45.511 -2.243 19198 3047 1 10 . 1 1 45 45 GLY H H 45 8.582 8.582 7.679 0.903 19198 3048 1 10 . 1 1 46 46 VAL N N 46 117.075 117.075 114.891 2.184 19198 3049 1 10 . 1 1 46 46 VAL HA H 46 4.726 4.726 4.971 -0.245 19198 3050 1 10 . 1 1 46 46 VAL CA C 46 56.843 56.843 59.382 -2.539 19198 3051 1 10 . 1 1 46 46 VAL CB C 46 33.568 33.568 34.019 -0.451 19198 3052 1 10 . 1 1 46 46 VAL H H 46 8.875 8.875 8.488 0.387 19198 3053 1 10 . 1 1 47 47 ILE N N 47 125.899 125.899 124.721 1.178 19198 3054 1 10 . 1 1 47 47 ILE HA H 47 4.778 4.778 4.322 0.456 19198 3055 1 10 . 1 1 47 47 ILE CB C 47 37.664 37.664 38.928 -1.264 19198 3056 1 10 . 1 1 47 47 ILE H H 47 8.765 8.765 8.245 0.520 19198 3057 1 10 . 1 1 48 48 PHE N N 48 126.624 126.624 127.856 -1.232 19198 3058 1 10 . 1 1 48 48 PHE HA H 48 4.777 4.777 4.578 0.199 19198 3059 1 10 . 1 1 48 48 PHE CA C 48 56.162 56.162 57.651 -1.489 19198 3060 1 10 . 1 1 48 48 PHE CB C 48 38.742 38.742 39.707 -0.965 19198 3061 1 10 . 1 1 48 48 PHE H H 48 9.269 9.269 8.572 0.697 19198 3062 1 10 . 1 1 49 49 GLU N N 49 123.550 123.550 121.120 2.430 19198 3063 1 10 . 1 1 49 49 GLU HA H 49 4.021 4.021 4.119 -0.098 19198 3064 1 10 . 1 1 49 49 GLU CA C 49 56.574 56.574 59.193 -2.619 19198 3065 1 10 . 1 1 49 49 GLU CB C 49 26.939 26.939 29.754 -2.815 19198 3066 1 10 . 1 1 49 49 GLU H H 49 9.331 9.331 8.272 1.059 19198 3067 1 10 . 1 1 50 50 ASP N N 50 113.383 113.383 118.891 -5.508 19198 3068 1 10 . 1 1 50 50 ASP HA H 50 4.443 4.443 4.618 -0.175 19198 3069 1 10 . 1 1 50 50 ASP CA C 50 51.307 51.307 53.256 -1.949 19198 3070 1 10 . 1 1 50 50 ASP CB C 50 38.062 38.062 40.300 -2.238 19198 3071 1 10 . 1 1 50 50 ASP H H 50 7.674 7.674 8.266 -0.592 19198 3072 1 10 . 1 1 51 51 GLY N N 51 107.745 107.745 107.912 -0.167 19198 3073 1 10 . 1 1 51 51 GLY CA C 51 42.245 42.245 45.366 -3.121 19198 3074 1 10 . 1 1 51 51 GLY H H 51 7.884 7.884 7.660 0.224 19198 3075 1 10 . 1 1 52 52 ARG N N 52 120.713 120.713 119.351 1.362 19198 3076 1 10 . 1 1 52 52 ARG HA H 52 4.292 4.292 4.211 0.081 19198 3077 1 10 . 1 1 52 52 ARG CA C 52 55.314 55.314 54.127 1.187 19198 3078 1 10 . 1 1 52 52 ARG CB C 52 29.759 29.759 30.733 -0.974 19198 3079 1 10 . 1 1 52 52 ARG H H 52 7.880 7.880 7.711 0.169 19198 3080 1 10 . 1 1 53 53 HIS N N 53 120.216 120.216 125.246 -5.030 19198 3081 1 10 . 1 1 53 53 HIS HA H 53 5.671 5.671 5.145 0.526 19198 3082 1 10 . 1 1 53 53 HIS CA C 53 50.579 50.579 54.335 -3.756 19198 3083 1 10 . 1 1 53 53 HIS CB C 53 29.165 29.165 30.665 -1.500 19198 3084 1 10 . 1 1 53 53 HIS H H 53 8.961 8.961 8.693 0.268 19198 3085 1 10 . 1 1 54 54 TYR N N 54 121.480 121.480 128.274 -6.794 19198 3086 1 10 . 1 1 54 54 TYR HA H 54 5.574 5.574 4.817 0.757 19198 3087 1 10 . 1 1 54 54 TYR CA C 54 53.397 53.397 55.920 -2.523 19198 3088 1 10 . 1 1 54 54 TYR CB C 54 39.788 39.788 40.737 -0.949 19198 3089 1 10 . 1 1 54 54 TYR H H 54 9.259 9.259 8.970 0.289 19198 3090 1 10 . 1 1 55 55 THR N N 55 113.818 113.818 116.888 -3.070 19198 3091 1 10 . 1 1 55 55 THR HA H 55 5.013 5.013 4.313 0.700 19198 3092 1 10 . 1 1 55 55 THR CA C 55 57.994 57.994 63.102 -5.108 19198 3093 1 10 . 1 1 55 55 THR CB C 55 67.733 67.733 68.764 -1.031 19198 3094 1 10 . 1 1 55 55 THR H H 55 9.242 9.242 8.808 0.434 19198 3095 1 10 . 1 1 56 56 PHE HA H 56 5.987 5.987 4.889 1.098 19198 3096 1 10 . 1 1 56 56 PHE CA C 56 53.946 53.946 57.914 -3.968 19198 3097 1 10 . 1 1 56 56 PHE CB C 56 42.416 42.416 41.830 0.586 19198 3098 1 10 . 1 1 57 57 VAL N N 57 120.407 120.407 128.496 -8.089 19198 3099 1 10 . 1 1 57 57 VAL HA H 57 4.683 4.683 4.840 -0.157 19198 3100 1 10 . 1 1 57 57 VAL CA C 57 59.696 59.696 60.259 -0.563 19198 3101 1 10 . 1 1 57 57 VAL CB C 57 33.227 33.227 35.278 -2.051 19198 3102 1 10 . 1 1 57 57 VAL H H 57 9.076 9.076 8.588 0.488 19198 3103 1 10 . 1 1 58 58 TYR N N 58 131.325 131.325 130.476 0.849 19198 3104 1 10 . 1 1 58 58 TYR HA H 58 5.504 5.504 5.296 0.208 19198 3105 1 10 . 1 1 58 58 TYR CA C 58 53.883 53.883 54.913 -1.030 19198 3106 1 10 . 1 1 58 58 TYR CB C 58 38.558 38.558 40.801 -2.243 19198 3107 1 10 . 1 1 58 58 TYR H H 58 9.821 9.821 9.172 0.649 19198 3108 1 10 . 1 1 59 59 GLU N N 59 123.904 123.904 127.188 -3.284 19198 3109 1 10 . 1 1 59 59 GLU HA H 59 4.519 4.519 4.588 -0.069 19198 3110 1 10 . 1 1 59 59 GLU CA C 59 52.718 52.718 54.565 -1.847 19198 3111 1 10 . 1 1 59 59 GLU CB C 59 29.084 29.084 31.122 -2.038 19198 3112 1 10 . 1 1 59 59 GLU H H 59 8.182 8.182 8.842 -0.660 19198 3113 1 10 . 1 1 60 60 ASN N N 60 123.227 123.227 116.790 6.437 19198 3114 1 10 . 1 1 60 60 ASN HA H 60 4.247 4.247 4.208 0.039 19198 3115 1 10 . 1 1 60 60 ASN CA C 60 51.876 51.876 55.432 -3.556 19198 3116 1 10 . 1 1 60 60 ASN CB C 60 34.949 34.949 38.596 -3.647 19198 3117 1 10 . 1 1 60 60 ASN H H 60 9.566 9.566 8.460 1.106 19198 3118 1 10 . 1 1 61 61 GLU N N 61 107.647 107.647 112.690 -5.043 19198 3119 1 10 . 1 1 61 61 GLU HA H 61 3.500 3.500 4.461 -0.961 19198 3120 1 10 . 1 1 61 61 GLU CA C 61 54.765 54.765 55.844 -1.079 19198 3121 1 10 . 1 1 61 61 GLU CB C 61 25.167 25.167 31.730 -6.563 19198 3122 1 10 . 1 1 61 61 GLU H H 61 8.387 8.387 8.415 -0.028 19198 3123 1 10 . 1 1 62 62 ASP N N 62 119.350 119.350 119.572 -0.222 19198 3124 1 10 . 1 1 62 62 ASP HA H 62 4.724 4.724 4.941 -0.217 19198 3125 1 10 . 1 1 62 62 ASP CB C 62 41.251 41.251 44.654 -3.403 19198 3126 1 10 . 1 1 62 62 ASP H H 62 7.314 7.314 7.685 -0.371 19198 3127 1 10 . 1 1 63 63 LEU N N 63 123.998 123.998 123.622 0.376 19198 3128 1 10 . 1 1 63 63 LEU HA H 63 5.037 5.037 5.094 -0.057 19198 3129 1 10 . 1 1 63 63 LEU CA C 63 51.075 51.075 53.584 -2.510 19198 3130 1 10 . 1 1 63 63 LEU CB C 63 42.312 42.312 44.194 -1.882 19198 3131 1 10 . 1 1 63 63 LEU H H 63 8.226 8.226 8.436 -0.210 19198 3132 1 10 . 1 1 64 64 VAL N N 64 127.167 127.167 125.293 1.874 19198 3133 1 10 . 1 1 64 64 VAL HA H 64 4.361 4.361 4.121 0.240 19198 3134 1 10 . 1 1 64 64 VAL CA C 64 58.470 58.470 60.850 -2.380 19198 3135 1 10 . 1 1 64 64 VAL CB C 64 31.939 31.939 35.731 -3.792 19198 3136 1 10 . 1 1 64 64 VAL H H 64 8.915 8.915 8.530 0.385 19198 3137 1 10 . 1 1 65 65 TYR N N 65 121.421 121.421 119.173 2.248 19198 3138 1 10 . 1 1 65 65 TYR HA H 65 5.893 5.893 5.567 0.326 19198 3139 1 10 . 1 1 65 65 TYR CA C 65 53.115 53.115 55.900 -2.785 19198 3140 1 10 . 1 1 65 65 TYR CB C 65 39.948 39.948 40.457 -0.509 19198 3141 1 10 . 1 1 65 65 TYR H H 65 8.207 8.207 7.878 0.329 19198 3142 1 10 . 1 1 66 66 GLU N N 66 117.842 117.842 119.911 -2.069 19198 3143 1 10 . 1 1 66 66 GLU HA H 66 4.793 4.793 4.761 0.032 19198 3144 1 10 . 1 1 66 66 GLU CB C 66 30.949 30.949 32.549 -1.600 19198 3145 1 10 . 1 1 66 66 GLU H H 66 8.875 8.875 8.806 0.069 19198 3146 1 10 . 1 1 67 67 GLU N N 67 125.220 125.220 119.997 5.223 19198 3147 1 10 . 1 1 67 67 GLU HA H 67 4.084 4.084 4.848 -0.764 19198 3148 1 10 . 1 1 67 67 GLU CA C 67 54.157 54.157 56.505 -2.348 19198 3149 1 10 . 1 1 67 67 GLU CB C 67 27.697 27.697 32.912 -5.215 19198 3150 1 10 . 1 1 67 67 GLU H H 67 9.033 9.033 8.527 0.506 19198 3151 1 10 . 1 1 68 68 GLU N N 68 127.058 127.058 126.980 0.078 19198 3152 1 10 . 1 1 68 68 GLU HA H 68 4.358 4.358 4.331 0.027 19198 3153 1 10 . 1 1 68 68 GLU CA C 68 53.193 53.193 56.661 -3.468 19198 3154 1 10 . 1 1 68 68 GLU CB C 68 28.405 28.405 29.682 -1.277 19198 3155 1 10 . 1 1 68 68 GLU H H 68 8.546 8.546 8.419 0.127 19198 3156 1 10 . 1 1 69 69 VAL N N 69 125.782 125.782 126.151 -0.369 19198 3157 1 10 . 1 1 69 69 VAL HA H 69 4.046 4.046 4.329 -0.283 19198 3158 1 10 . 1 1 69 69 VAL CA C 69 59.775 59.775 62.118 -2.343 19198 3159 1 10 . 1 1 69 69 VAL CB C 69 30.174 30.174 33.238 -3.064 19198 3160 1 10 . 1 1 69 69 VAL H H 69 8.422 8.422 8.523 -0.101 19198 3161 1 11 . 1 1 3 3 ASP N N 3 120.996 120.996 119.464 1.532 19198 3162 1 11 . 1 1 3 3 ASP H H 3 8.416 8.416 8.202 0.214 19198 3163 1 11 . 1 1 4 4 ARG N N 4 120.957 120.957 120.664 0.293 19198 3164 1 11 . 1 1 4 4 ARG H H 4 8.187 8.187 8.276 -0.089 19198 3165 1 11 . 1 1 5 5 LYS N N 5 122.746 122.746 123.424 -0.678 19198 3166 1 11 . 1 1 5 5 LYS HA H 5 4.209 4.209 4.481 -0.272 19198 3167 1 11 . 1 1 5 5 LYS CA C 5 53.562 53.562 56.380 -2.818 19198 3168 1 11 . 1 1 5 5 LYS CB C 5 30.595 30.595 33.681 -3.087 19198 3169 1 11 . 1 1 5 5 LYS H H 5 8.223 8.223 8.450 -0.227 19198 3170 1 11 . 1 1 6 6 LEU N N 6 124.432 124.432 125.419 -0.987 19198 3171 1 11 . 1 1 6 6 LEU HA H 6 4.345 4.345 4.675 -0.330 19198 3172 1 11 . 1 1 6 6 LEU CA C 6 52.051 52.051 54.204 -2.153 19198 3173 1 11 . 1 1 6 6 LEU CB C 6 39.833 39.833 42.159 -2.326 19198 3174 1 11 . 1 1 6 6 LEU H H 6 8.258 8.258 8.312 -0.054 19198 3175 1 11 . 1 1 7 7 MET N N 7 122.420 122.420 121.742 0.678 19198 3176 1 11 . 1 1 7 7 MET HA H 7 4.529 4.529 4.596 -0.067 19198 3177 1 11 . 1 1 7 7 MET CA C 7 52.288 52.288 54.199 -1.911 19198 3178 1 11 . 1 1 7 7 MET CB C 7 30.827 30.827 33.171 -2.344 19198 3179 1 11 . 1 1 7 7 MET H H 7 8.284 8.284 8.433 -0.149 19198 3180 1 11 . 1 1 8 8 LYS N N 8 124.204 124.204 120.331 3.873 19198 3181 1 11 . 1 1 8 8 LYS HA H 8 4.461 4.461 4.296 0.165 19198 3182 1 11 . 1 1 8 8 LYS CA C 8 53.986 53.986 56.569 -2.583 19198 3183 1 11 . 1 1 8 8 LYS CB C 8 31.771 31.771 33.104 -1.333 19198 3184 1 11 . 1 1 8 8 LYS H H 8 9.420 9.420 8.458 0.962 19198 3185 1 11 . 1 1 9 9 THR N N 9 113.488 113.488 109.224 4.264 19198 3186 1 11 . 1 1 9 9 THR HA H 9 4.366 4.366 4.689 -0.323 19198 3187 1 11 . 1 1 9 9 THR CA C 9 57.964 57.964 60.186 -2.222 19198 3188 1 11 . 1 1 9 9 THR CB C 9 68.912 68.912 71.872 -2.960 19198 3189 1 11 . 1 1 9 9 THR H H 9 8.817 8.817 7.990 0.827 19198 3190 1 11 . 1 1 10 10 GLN N N 10 121.509 121.509 121.348 0.161 19198 3191 1 11 . 1 1 10 10 GLN HA H 10 3.012 3.012 3.696 -0.684 19198 3192 1 11 . 1 1 10 10 GLN CA C 10 57.666 57.666 59.874 -2.208 19198 3193 1 11 . 1 1 10 10 GLN CB C 10 24.850 24.850 27.933 -3.083 19198 3194 1 11 . 1 1 10 10 GLN H H 10 8.586 8.586 8.714 -0.128 19198 3195 1 11 . 1 1 11 11 GLU N N 11 121.406 121.406 119.753 1.653 19198 3196 1 11 . 1 1 11 11 GLU HA H 11 3.801 3.801 4.007 -0.206 19198 3197 1 11 . 1 1 11 11 GLU CA C 11 57.739 57.739 59.661 -1.923 19198 3198 1 11 . 1 1 11 11 GLU CB C 11 26.332 26.332 28.958 -2.626 19198 3199 1 11 . 1 1 11 11 GLU H H 11 8.998 8.998 8.535 0.463 19198 3200 1 11 . 1 1 12 12 GLU N N 12 120.601 120.601 119.737 0.864 19198 3201 1 11 . 1 1 12 12 GLU HA H 12 3.864 3.864 4.069 -0.205 19198 3202 1 11 . 1 1 12 12 GLU CA C 12 56.542 56.542 59.604 -3.062 19198 3203 1 11 . 1 1 12 12 GLU CB C 12 27.796 27.796 29.645 -1.849 19198 3204 1 11 . 1 1 12 12 GLU H H 12 7.688 7.688 7.846 -0.158 19198 3205 1 11 . 1 1 13 13 LEU N N 13 117.867 117.867 119.400 -1.533 19198 3206 1 11 . 1 1 13 13 LEU HA H 13 3.755 3.755 4.210 -0.455 19198 3207 1 11 . 1 1 13 13 LEU CA C 13 54.855 54.855 57.756 -2.901 19198 3208 1 11 . 1 1 13 13 LEU CB C 13 40.140 40.140 41.618 -1.478 19198 3209 1 11 . 1 1 13 13 LEU H H 13 8.172 8.172 8.099 0.073 19198 3210 1 11 . 1 1 14 14 THR N N 14 115.136 115.136 116.255 -1.119 19198 3211 1 11 . 1 1 14 14 THR HA H 14 3.256 3.256 4.042 -0.786 19198 3212 1 11 . 1 1 14 14 THR CA C 14 64.768 64.768 67.382 -2.614 19198 3213 1 11 . 1 1 14 14 THR CB C 14 65.545 65.545 68.777 -3.232 19198 3214 1 11 . 1 1 14 14 THR H H 14 8.166 8.166 8.255 -0.089 19198 3215 1 11 . 1 1 15 15 GLU N N 15 120.674 120.674 121.510 -0.836 19198 3216 1 11 . 1 1 15 15 GLU HA H 15 3.857 3.857 4.073 -0.216 19198 3217 1 11 . 1 1 15 15 GLU CA C 15 56.467 56.467 59.565 -3.098 19198 3218 1 11 . 1 1 15 15 GLU CB C 15 26.370 26.370 29.296 -2.926 19198 3219 1 11 . 1 1 15 15 GLU H H 15 7.504 7.504 8.355 -0.851 19198 3220 1 11 . 1 1 16 16 ILE N N 16 119.946 119.946 120.087 -0.141 19198 3221 1 11 . 1 1 16 16 ILE HA H 16 3.602 3.602 3.698 -0.096 19198 3222 1 11 . 1 1 16 16 ILE CA C 16 62.428 62.428 65.750 -3.322 19198 3223 1 11 . 1 1 16 16 ILE CB C 16 35.913 35.913 37.633 -1.720 19198 3224 1 11 . 1 1 16 16 ILE H H 16 7.162 7.162 8.489 -1.327 19198 3225 1 11 . 1 1 17 17 VAL N N 17 120.087 120.087 117.951 2.136 19198 3226 1 11 . 1 1 17 17 VAL HA H 17 3.001 3.001 3.856 -0.855 19198 3227 1 11 . 1 1 17 17 VAL CA C 17 64.706 64.706 65.736 -1.030 19198 3228 1 11 . 1 1 17 17 VAL CB C 17 28.391 28.391 31.260 -2.869 19198 3229 1 11 . 1 1 17 17 VAL H H 17 7.539 7.539 7.494 0.045 19198 3230 1 11 . 1 1 18 18 ARG N N 18 121.099 121.099 120.151 0.948 19198 3231 1 11 . 1 1 18 18 ARG HA H 18 3.438 3.438 4.210 -0.772 19198 3232 1 11 . 1 1 18 18 ARG CA C 18 57.834 57.834 59.743 -1.909 19198 3233 1 11 . 1 1 18 18 ARG CB C 18 27.388 27.388 30.492 -3.104 19198 3234 1 11 . 1 1 18 18 ARG H H 18 8.708 8.708 8.149 0.559 19198 3235 1 11 . 1 1 19 19 ASP N N 19 118.955 118.955 118.651 0.304 19198 3236 1 11 . 1 1 19 19 ASP HA H 19 4.215 4.215 4.497 -0.282 19198 3237 1 11 . 1 1 19 19 ASP CA C 19 54.604 54.604 57.231 -2.627 19198 3238 1 11 . 1 1 19 19 ASP CB C 19 37.705 37.705 40.936 -3.231 19198 3239 1 11 . 1 1 19 19 ASP H H 19 8.286 8.286 8.578 -0.292 19198 3240 1 11 . 1 1 20 20 HIS N N 20 116.419 116.419 117.346 -0.927 19198 3241 1 11 . 1 1 20 20 HIS HA H 20 4.147 4.147 4.327 -0.180 19198 3242 1 11 . 1 1 20 20 HIS CA C 20 56.243 56.243 58.556 -2.313 19198 3243 1 11 . 1 1 20 20 HIS CB C 20 26.196 26.196 30.310 -4.114 19198 3244 1 11 . 1 1 20 20 HIS H H 20 7.532 7.532 8.003 -0.471 19198 3245 1 11 . 1 1 21 21 PHE N N 21 116.347 116.347 118.754 -2.407 19198 3246 1 11 . 1 1 21 21 PHE HA H 21 4.463 4.463 4.724 -0.261 19198 3247 1 11 . 1 1 21 21 PHE CA C 21 58.279 58.279 58.681 -0.402 19198 3248 1 11 . 1 1 21 21 PHE CB C 21 36.780 36.780 39.886 -3.106 19198 3249 1 11 . 1 1 21 21 PHE H H 21 7.983 7.983 8.116 -0.133 19198 3250 1 11 . 1 1 22 22 SER N N 22 116.555 116.555 115.920 0.635 19198 3251 1 11 . 1 1 22 22 SER HA H 22 4.541 4.541 4.314 0.227 19198 3252 1 11 . 1 1 22 22 SER CA C 22 59.013 59.013 60.413 -1.400 19198 3253 1 11 . 1 1 22 22 SER CB C 22 60.225 60.225 63.099 -2.874 19198 3254 1 11 . 1 1 22 22 SER H H 22 8.578 8.578 8.331 0.247 19198 3255 1 11 . 1 1 23 23 ASP N N 23 118.564 118.564 119.608 -1.044 19198 3256 1 11 . 1 1 23 23 ASP HA H 23 4.581 4.581 4.807 -0.226 19198 3257 1 11 . 1 1 23 23 ASP CA C 23 52.796 52.796 54.570 -1.774 19198 3258 1 11 . 1 1 23 23 ASP CB C 23 38.460 38.460 41.143 -2.683 19198 3259 1 11 . 1 1 23 23 ASP H H 23 7.246 7.246 8.461 -1.215 19198 3260 1 11 . 1 1 24 24 MET N N 24 116.378 116.378 118.534 -2.156 19198 3261 1 11 . 1 1 24 24 MET HA H 24 4.207 4.207 4.757 -0.550 19198 3262 1 11 . 1 1 24 24 MET CA C 24 53.696 53.696 55.386 -1.690 19198 3263 1 11 . 1 1 24 24 MET CB C 24 32.101 32.101 33.877 -1.776 19198 3264 1 11 . 1 1 24 24 MET H H 24 7.958 7.958 7.960 -0.002 19198 3265 1 11 . 1 1 25 25 GLY N N 25 107.470 107.470 107.529 -0.059 19198 3266 1 11 . 1 1 25 25 GLY CA C 25 42.230 42.230 44.305 -2.075 19198 3267 1 11 . 1 1 25 25 GLY H H 25 7.475 7.475 7.800 -0.325 19198 3268 1 11 . 1 1 26 26 GLU N N 26 117.869 117.869 119.548 -1.679 19198 3269 1 11 . 1 1 26 26 GLU HA H 26 4.452 4.452 4.421 0.031 19198 3270 1 11 . 1 1 26 26 GLU CA C 26 52.851 52.851 54.710 -1.859 19198 3271 1 11 . 1 1 26 26 GLU CB C 26 27.412 27.412 31.818 -4.406 19198 3272 1 11 . 1 1 26 26 GLU H H 26 8.397 8.397 7.991 0.406 19198 3273 1 11 . 1 1 27 27 ILE N N 27 129.460 129.460 122.573 6.887 19198 3274 1 11 . 1 1 27 27 ILE HA H 27 3.206 3.206 3.611 -0.405 19198 3275 1 11 . 1 1 27 27 ILE CA C 27 61.133 61.133 60.969 0.164 19198 3276 1 11 . 1 1 27 27 ILE CB C 27 36.987 36.987 38.135 -1.147 19198 3277 1 11 . 1 1 27 27 ILE H H 27 8.980 8.980 8.291 0.689 19198 3278 1 11 . 1 1 28 28 ALA N N 28 131.875 131.875 131.255 0.620 19198 3279 1 11 . 1 1 28 28 ALA HA H 28 4.492 4.492 4.389 0.103 19198 3280 1 11 . 1 1 28 28 ALA CA C 28 50.949 50.949 54.040 -3.091 19198 3281 1 11 . 1 1 28 28 ALA CB C 28 17.101 17.101 19.927 -2.826 19198 3282 1 11 . 1 1 28 28 ALA H H 28 9.208 9.208 8.781 0.427 19198 3283 1 11 . 1 1 29 29 THR N N 29 112.070 112.070 115.022 -2.952 19198 3284 1 11 . 1 1 29 29 THR HA H 29 4.346 4.346 4.525 -0.179 19198 3285 1 11 . 1 1 29 29 THR CA C 29 58.963 58.963 61.739 -2.776 19198 3286 1 11 . 1 1 29 29 THR CB C 29 69.475 69.475 69.749 -0.274 19198 3287 1 11 . 1 1 29 29 THR H H 29 7.803 7.803 8.086 -0.283 19198 3288 1 11 . 1 1 30 30 LEU N N 30 129.754 129.754 129.717 0.037 19198 3289 1 11 . 1 1 30 30 LEU HA H 30 4.878 4.878 4.396 0.482 19198 3290 1 11 . 1 1 30 30 LEU CA C 30 52.316 52.316 55.364 -3.048 19198 3291 1 11 . 1 1 30 30 LEU CB C 30 42.195 42.195 43.095 -0.900 19198 3292 1 11 . 1 1 30 30 LEU H H 30 8.388 8.388 8.750 -0.362 19198 3293 1 11 . 1 1 31 31 TYR N N 31 124.642 124.642 124.156 0.486 19198 3294 1 11 . 1 1 31 31 TYR HA H 31 5.108 5.108 4.905 0.203 19198 3295 1 11 . 1 1 31 31 TYR CA C 31 52.174 52.174 55.603 -3.429 19198 3296 1 11 . 1 1 31 31 TYR CB C 31 38.406 38.406 39.982 -1.576 19198 3297 1 11 . 1 1 31 31 TYR H H 31 8.837 8.837 8.344 0.493 19198 3298 1 11 . 1 1 32 32 VAL N N 32 121.165 121.165 119.266 1.899 19198 3299 1 11 . 1 1 32 32 VAL HA H 32 4.083 4.083 4.359 -0.276 19198 3300 1 11 . 1 1 32 32 VAL CA C 32 59.645 59.645 59.633 0.012 19198 3301 1 11 . 1 1 32 32 VAL CB C 32 32.016 32.016 33.874 -1.858 19198 3302 1 11 . 1 1 32 32 VAL H H 32 8.684 8.684 8.317 0.367 19198 3303 1 11 . 1 1 33 33 GLN N N 33 126.911 126.911 128.055 -1.144 19198 3304 1 11 . 1 1 33 33 GLN HA H 33 4.462 4.462 4.294 0.168 19198 3305 1 11 . 1 1 33 33 GLN CA C 33 54.266 54.266 56.285 -2.019 19198 3306 1 11 . 1 1 33 33 GLN CB C 33 28.717 28.717 30.452 -1.735 19198 3307 1 11 . 1 1 33 33 GLN H H 33 9.633 9.633 8.395 1.238 19198 3308 1 11 . 1 1 34 34 VAL N N 34 117.041 117.041 118.372 -1.331 19198 3309 1 11 . 1 1 34 34 VAL HA H 34 4.313 4.313 4.300 0.013 19198 3310 1 11 . 1 1 34 34 VAL CA C 34 59.270 59.270 61.605 -2.334 19198 3311 1 11 . 1 1 34 34 VAL CB C 34 33.725 33.725 34.083 -0.358 19198 3312 1 11 . 1 1 34 34 VAL H H 34 7.840 7.840 7.508 0.332 19198 3313 1 11 . 1 1 35 35 TYR N N 35 128.263 128.263 129.972 -1.709 19198 3314 1 11 . 1 1 35 35 TYR HA H 35 5.415 5.415 4.823 0.592 19198 3315 1 11 . 1 1 35 35 TYR CA C 35 52.594 52.594 56.187 -3.592 19198 3316 1 11 . 1 1 35 35 TYR CB C 35 38.583 38.583 39.102 -0.519 19198 3317 1 11 . 1 1 35 35 TYR H H 35 8.580 8.580 8.744 -0.164 19198 3318 1 11 . 1 1 36 36 GLU N N 36 129.574 129.574 128.527 1.047 19198 3319 1 11 . 1 1 36 36 GLU HA H 36 4.403 4.403 4.194 0.209 19198 3320 1 11 . 1 1 36 36 GLU CA C 36 51.421 51.421 54.937 -3.516 19198 3321 1 11 . 1 1 36 36 GLU CB C 36 28.035 28.035 28.438 -0.403 19198 3322 1 11 . 1 1 36 36 GLU H H 36 8.118 8.118 8.134 -0.016 19198 3323 1 11 . 1 1 37 37 SER N N 37 121.805 121.805 120.975 0.830 19198 3324 1 11 . 1 1 37 37 SER HA H 37 3.754 3.754 4.074 -0.320 19198 3325 1 11 . 1 1 37 37 SER CA C 37 57.817 57.817 60.593 -2.776 19198 3326 1 11 . 1 1 37 37 SER CB C 37 60.041 60.041 63.214 -3.173 19198 3327 1 11 . 1 1 37 37 SER H H 37 8.312 8.312 8.046 0.266 19198 3328 1 11 . 1 1 38 38 SER N N 38 116.337 116.337 115.108 1.229 19198 3329 1 11 . 1 1 38 38 SER HA H 38 4.214 4.214 4.527 -0.313 19198 3330 1 11 . 1 1 38 38 SER CA C 38 58.237 58.237 58.631 -0.394 19198 3331 1 11 . 1 1 38 38 SER CB C 38 60.243 60.243 63.501 -3.258 19198 3332 1 11 . 1 1 38 38 SER H H 38 8.389 8.389 8.067 0.322 19198 3333 1 11 . 1 1 39 39 LEU N N 39 119.070 119.070 120.232 -1.162 19198 3334 1 11 . 1 1 39 39 LEU HA H 39 4.414 4.414 4.537 -0.123 19198 3335 1 11 . 1 1 39 39 LEU CA C 39 51.365 51.365 53.930 -2.565 19198 3336 1 11 . 1 1 39 39 LEU CB C 39 40.504 40.504 43.845 -3.341 19198 3337 1 11 . 1 1 39 39 LEU H H 39 6.905 6.905 7.412 -0.507 19198 3338 1 11 . 1 1 40 40 GLU N N 40 118.837 118.837 119.692 -0.855 19198 3339 1 11 . 1 1 40 40 GLU HA H 40 3.781 3.781 4.631 -0.850 19198 3340 1 11 . 1 1 40 40 GLU CA C 40 54.621 54.621 55.832 -1.211 19198 3341 1 11 . 1 1 40 40 GLU CB C 40 26.307 26.307 29.791 -3.483 19198 3342 1 11 . 1 1 40 40 GLU H H 40 7.814 7.814 8.620 -0.806 19198 3343 1 11 . 1 1 41 41 SER N N 41 110.546 110.546 116.354 -5.808 19198 3344 1 11 . 1 1 41 41 SER HA H 41 5.730 5.730 5.034 0.696 19198 3345 1 11 . 1 1 41 41 SER CA C 41 52.696 52.696 56.872 -4.176 19198 3346 1 11 . 1 1 41 41 SER CB C 41 63.820 63.820 65.765 -1.945 19198 3347 1 11 . 1 1 41 41 SER H H 41 7.452 7.452 8.046 -0.594 19198 3348 1 11 . 1 1 42 42 LEU N N 42 124.649 124.649 126.096 -1.447 19198 3349 1 11 . 1 1 42 42 LEU HA H 42 5.384 5.384 4.869 0.515 19198 3350 1 11 . 1 1 42 42 LEU CA C 42 51.231 51.231 54.451 -3.220 19198 3351 1 11 . 1 1 42 42 LEU CB C 42 46.451 46.451 45.581 0.870 19198 3352 1 11 . 1 1 42 42 LEU H H 42 9.281 9.281 8.366 0.915 19198 3353 1 11 . 1 1 43 43 VAL N N 43 125.093 125.093 122.526 2.567 19198 3354 1 11 . 1 1 43 43 VAL HA H 43 4.629 4.629 5.032 -0.403 19198 3355 1 11 . 1 1 43 43 VAL CA C 43 58.185 58.185 60.076 -1.891 19198 3356 1 11 . 1 1 43 43 VAL CB C 43 33.136 33.136 35.250 -2.114 19198 3357 1 11 . 1 1 43 43 VAL H H 43 8.849 8.849 7.935 0.914 19198 3358 1 11 . 1 1 44 44 GLY N N 44 114.807 114.807 108.944 5.863 19198 3359 1 11 . 1 1 44 44 GLY CA C 44 43.685 43.685 45.628 -1.943 19198 3360 1 11 . 1 1 44 44 GLY H H 44 7.156 7.156 8.395 -1.239 19198 3361 1 11 . 1 1 45 45 GLY N N 45 117.443 117.443 108.556 8.887 19198 3362 1 11 . 1 1 45 45 GLY CA C 45 43.268 43.268 45.325 -2.057 19198 3363 1 11 . 1 1 45 45 GLY H H 45 8.582 8.582 7.714 0.868 19198 3364 1 11 . 1 1 46 46 VAL N N 46 117.075 117.075 120.125 -3.050 19198 3365 1 11 . 1 1 46 46 VAL HA H 46 4.726 4.726 4.861 -0.135 19198 3366 1 11 . 1 1 46 46 VAL CA C 46 56.843 56.843 60.303 -3.460 19198 3367 1 11 . 1 1 46 46 VAL CB C 46 33.568 33.568 34.802 -1.234 19198 3368 1 11 . 1 1 46 46 VAL H H 46 8.875 8.875 8.237 0.638 19198 3369 1 11 . 1 1 47 47 ILE N N 47 125.899 125.899 130.086 -4.187 19198 3370 1 11 . 1 1 47 47 ILE HA H 47 4.778 4.778 4.005 0.773 19198 3371 1 11 . 1 1 47 47 ILE CB C 47 37.664 37.664 37.632 0.032 19198 3372 1 11 . 1 1 47 47 ILE H H 47 8.765 8.765 8.799 -0.034 19198 3373 1 11 . 1 1 48 48 PHE N N 48 126.624 126.624 128.011 -1.387 19198 3374 1 11 . 1 1 48 48 PHE HA H 48 4.777 4.777 4.657 0.120 19198 3375 1 11 . 1 1 48 48 PHE CA C 48 56.162 56.162 56.224 -0.062 19198 3376 1 11 . 1 1 48 48 PHE CB C 48 38.742 38.742 40.054 -1.312 19198 3377 1 11 . 1 1 48 48 PHE H H 48 9.269 9.269 8.020 1.249 19198 3378 1 11 . 1 1 49 49 GLU N N 49 123.550 123.550 122.588 0.962 19198 3379 1 11 . 1 1 49 49 GLU HA H 49 4.021 4.021 3.993 0.028 19198 3380 1 11 . 1 1 49 49 GLU CA C 49 56.574 56.574 59.671 -3.097 19198 3381 1 11 . 1 1 49 49 GLU CB C 49 26.939 26.939 29.579 -2.640 19198 3382 1 11 . 1 1 49 49 GLU H H 49 9.331 9.331 8.302 1.029 19198 3383 1 11 . 1 1 50 50 ASP N N 50 113.383 113.383 116.926 -3.543 19198 3384 1 11 . 1 1 50 50 ASP HA H 50 4.443 4.443 4.723 -0.280 19198 3385 1 11 . 1 1 50 50 ASP CA C 50 51.307 51.307 53.741 -2.434 19198 3386 1 11 . 1 1 50 50 ASP CB C 50 38.062 38.062 40.995 -2.933 19198 3387 1 11 . 1 1 50 50 ASP H H 50 7.674 7.674 8.294 -0.620 19198 3388 1 11 . 1 1 51 51 GLY N N 51 107.745 107.745 108.229 -0.484 19198 3389 1 11 . 1 1 51 51 GLY CA C 51 42.245 42.245 45.992 -3.747 19198 3390 1 11 . 1 1 51 51 GLY H H 51 7.884 7.884 7.881 0.003 19198 3391 1 11 . 1 1 52 52 ARG N N 52 120.713 120.713 119.283 1.430 19198 3392 1 11 . 1 1 52 52 ARG HA H 52 4.292 4.292 4.377 -0.085 19198 3393 1 11 . 1 1 52 52 ARG CA C 52 55.314 55.314 54.590 0.724 19198 3394 1 11 . 1 1 52 52 ARG CB C 52 29.759 29.759 29.050 0.709 19198 3395 1 11 . 1 1 52 52 ARG H H 52 7.880 7.880 8.125 -0.245 19198 3396 1 11 . 1 1 53 53 HIS N N 53 120.216 120.216 124.916 -4.700 19198 3397 1 11 . 1 1 53 53 HIS HA H 53 5.671 5.671 5.000 0.671 19198 3398 1 11 . 1 1 53 53 HIS CA C 53 50.579 50.579 54.983 -4.404 19198 3399 1 11 . 1 1 53 53 HIS CB C 53 29.165 29.165 31.109 -1.944 19198 3400 1 11 . 1 1 53 53 HIS H H 53 8.961 8.961 7.998 0.963 19198 3401 1 11 . 1 1 54 54 TYR N N 54 121.480 121.480 126.471 -4.991 19198 3402 1 11 . 1 1 54 54 TYR HA H 54 5.574 5.574 5.153 0.421 19198 3403 1 11 . 1 1 54 54 TYR CA C 54 53.397 53.397 56.454 -3.057 19198 3404 1 11 . 1 1 54 54 TYR CB C 54 39.788 39.788 42.649 -2.861 19198 3405 1 11 . 1 1 54 54 TYR H H 54 9.259 9.259 8.448 0.811 19198 3406 1 11 . 1 1 55 55 THR N N 55 113.818 113.818 118.009 -4.191 19198 3407 1 11 . 1 1 55 55 THR HA H 55 5.013 5.013 4.604 0.409 19198 3408 1 11 . 1 1 55 55 THR CA C 55 57.994 57.994 62.102 -4.108 19198 3409 1 11 . 1 1 55 55 THR CB C 55 67.733 67.733 68.031 -0.298 19198 3410 1 11 . 1 1 55 55 THR H H 55 9.242 9.242 8.755 0.487 19198 3411 1 11 . 1 1 56 56 PHE HA H 56 5.987 5.987 5.119 0.868 19198 3412 1 11 . 1 1 56 56 PHE CA C 56 53.946 53.946 57.898 -3.952 19198 3413 1 11 . 1 1 56 56 PHE CB C 56 42.416 42.416 40.199 2.217 19198 3414 1 11 . 1 1 57 57 VAL N N 57 120.407 120.407 125.426 -5.019 19198 3415 1 11 . 1 1 57 57 VAL HA H 57 4.683 4.683 4.464 0.219 19198 3416 1 11 . 1 1 57 57 VAL CA C 57 59.696 59.696 60.523 -0.827 19198 3417 1 11 . 1 1 57 57 VAL CB C 57 33.227 33.227 34.590 -1.363 19198 3418 1 11 . 1 1 57 57 VAL H H 57 9.076 9.076 8.284 0.792 19198 3419 1 11 . 1 1 58 58 TYR N N 58 131.325 131.325 130.501 0.824 19198 3420 1 11 . 1 1 58 58 TYR HA H 58 5.504 5.504 5.218 0.286 19198 3421 1 11 . 1 1 58 58 TYR CA C 58 53.883 53.883 54.819 -0.936 19198 3422 1 11 . 1 1 58 58 TYR CB C 58 38.558 38.558 40.317 -1.759 19198 3423 1 11 . 1 1 58 58 TYR H H 58 9.821 9.821 8.842 0.979 19198 3424 1 11 . 1 1 59 59 GLU N N 59 123.904 123.904 129.303 -5.399 19198 3425 1 11 . 1 1 59 59 GLU HA H 59 4.519 4.519 4.577 -0.058 19198 3426 1 11 . 1 1 59 59 GLU CA C 59 52.718 52.718 53.564 -0.846 19198 3427 1 11 . 1 1 59 59 GLU CB C 59 29.084 29.084 31.934 -2.850 19198 3428 1 11 . 1 1 59 59 GLU H H 59 8.182 8.182 8.275 -0.093 19198 3429 1 11 . 1 1 60 60 ASN N N 60 123.227 123.227 125.546 -2.319 19198 3430 1 11 . 1 1 60 60 ASN HA H 60 4.247 4.247 3.976 0.271 19198 3431 1 11 . 1 1 60 60 ASN CA C 60 51.876 51.876 56.159 -4.283 19198 3432 1 11 . 1 1 60 60 ASN CB C 60 34.949 34.949 37.669 -2.720 19198 3433 1 11 . 1 1 60 60 ASN H H 60 9.566 9.566 8.392 1.174 19198 3434 1 11 . 1 1 61 61 GLU N N 61 107.647 107.647 116.141 -8.494 19198 3435 1 11 . 1 1 61 61 GLU HA H 61 3.500 3.500 4.649 -1.149 19198 3436 1 11 . 1 1 61 61 GLU CA C 61 54.765 54.765 55.881 -1.116 19198 3437 1 11 . 1 1 61 61 GLU CB C 61 25.167 25.167 31.768 -6.601 19198 3438 1 11 . 1 1 61 61 GLU H H 61 8.387 8.387 7.950 0.437 19198 3439 1 11 . 1 1 62 62 ASP N N 62 119.350 119.350 122.492 -3.142 19198 3440 1 11 . 1 1 62 62 ASP HA H 62 4.724 4.724 4.776 -0.052 19198 3441 1 11 . 1 1 62 62 ASP CB C 62 41.251 41.251 41.945 -0.694 19198 3442 1 11 . 1 1 62 62 ASP H H 62 7.314 7.314 8.301 -0.987 19198 3443 1 11 . 1 1 63 63 LEU N N 63 123.998 123.998 127.152 -3.154 19198 3444 1 11 . 1 1 63 63 LEU HA H 63 5.037 5.037 5.248 -0.211 19198 3445 1 11 . 1 1 63 63 LEU CA C 63 51.075 51.075 53.619 -2.544 19198 3446 1 11 . 1 1 63 63 LEU CB C 63 42.312 42.312 43.882 -1.570 19198 3447 1 11 . 1 1 63 63 LEU H H 63 8.226 8.226 8.413 -0.187 19198 3448 1 11 . 1 1 64 64 VAL N N 64 127.167 127.167 127.030 0.137 19198 3449 1 11 . 1 1 64 64 VAL HA H 64 4.361 4.361 4.056 0.305 19198 3450 1 11 . 1 1 64 64 VAL CA C 64 58.470 58.470 60.513 -2.042 19198 3451 1 11 . 1 1 64 64 VAL CB C 64 31.939 31.939 35.647 -3.708 19198 3452 1 11 . 1 1 64 64 VAL H H 64 8.915 8.915 8.451 0.464 19198 3453 1 11 . 1 1 65 65 TYR N N 65 121.421 121.421 118.798 2.623 19198 3454 1 11 . 1 1 65 65 TYR HA H 65 5.893 5.893 5.599 0.294 19198 3455 1 11 . 1 1 65 65 TYR CA C 65 53.115 53.115 55.498 -2.383 19198 3456 1 11 . 1 1 65 65 TYR CB C 65 39.948 39.948 41.248 -1.300 19198 3457 1 11 . 1 1 65 65 TYR H H 65 8.207 8.207 8.037 0.170 19198 3458 1 11 . 1 1 66 66 GLU N N 66 117.842 117.842 117.908 -0.066 19198 3459 1 11 . 1 1 66 66 GLU HA H 66 4.793 4.793 4.661 0.132 19198 3460 1 11 . 1 1 66 66 GLU CB C 66 30.949 30.949 32.215 -1.266 19198 3461 1 11 . 1 1 66 66 GLU H H 66 8.875 8.875 8.664 0.211 19198 3462 1 11 . 1 1 67 67 GLU N N 67 125.220 125.220 120.951 4.269 19198 3463 1 11 . 1 1 67 67 GLU HA H 67 4.084 4.084 3.930 0.154 19198 3464 1 11 . 1 1 67 67 GLU CA C 67 54.157 54.157 54.479 -0.322 19198 3465 1 11 . 1 1 67 67 GLU CB C 67 27.697 27.697 31.465 -3.768 19198 3466 1 11 . 1 1 67 67 GLU H H 67 9.033 9.033 8.547 0.486 19198 3467 1 11 . 1 1 68 68 GLU N N 68 127.058 127.058 126.889 0.169 19198 3468 1 11 . 1 1 68 68 GLU HA H 68 4.358 4.358 4.146 0.212 19198 3469 1 11 . 1 1 68 68 GLU CA C 68 53.193 53.193 56.936 -3.743 19198 3470 1 11 . 1 1 68 68 GLU CB C 68 28.405 28.405 30.163 -1.758 19198 3471 1 11 . 1 1 68 68 GLU H H 68 8.546 8.546 7.931 0.615 19198 3472 1 11 . 1 1 69 69 VAL N N 69 125.782 125.782 125.469 0.313 19198 3473 1 11 . 1 1 69 69 VAL HA H 69 4.046 4.046 4.280 -0.234 19198 3474 1 11 . 1 1 69 69 VAL CA C 69 59.775 59.775 62.365 -2.590 19198 3475 1 11 . 1 1 69 69 VAL CB C 69 30.174 30.174 31.813 -1.639 19198 3476 1 11 . 1 1 69 69 VAL H H 69 8.422 8.422 8.469 -0.047 19198 3477 1 12 . 1 1 3 3 ASP N N 3 120.996 120.996 121.029 -0.033 19198 3478 1 12 . 1 1 3 3 ASP H H 3 8.416 8.416 7.874 0.542 19198 3479 1 12 . 1 1 4 4 ARG N N 4 120.957 120.957 123.275 -2.318 19198 3480 1 12 . 1 1 4 4 ARG H H 4 8.187 8.187 8.369 -0.182 19198 3481 1 12 . 1 1 5 5 LYS N N 5 122.746 122.746 123.306 -0.560 19198 3482 1 12 . 1 1 5 5 LYS HA H 5 4.209 4.209 4.780 -0.571 19198 3483 1 12 . 1 1 5 5 LYS CA C 5 53.562 53.562 55.965 -2.403 19198 3484 1 12 . 1 1 5 5 LYS CB C 5 30.595 30.595 34.713 -4.118 19198 3485 1 12 . 1 1 5 5 LYS H H 5 8.223 8.223 8.524 -0.301 19198 3486 1 12 . 1 1 6 6 LEU N N 6 124.432 124.432 124.421 0.011 19198 3487 1 12 . 1 1 6 6 LEU HA H 6 4.345 4.345 4.633 -0.288 19198 3488 1 12 . 1 1 6 6 LEU CA C 6 52.051 52.051 53.896 -1.845 19198 3489 1 12 . 1 1 6 6 LEU CB C 6 39.833 39.833 43.777 -3.944 19198 3490 1 12 . 1 1 6 6 LEU H H 6 8.258 8.258 8.552 -0.294 19198 3491 1 12 . 1 1 7 7 MET N N 7 122.420 122.420 119.012 3.408 19198 3492 1 12 . 1 1 7 7 MET HA H 7 4.529 4.529 4.669 -0.140 19198 3493 1 12 . 1 1 7 7 MET CA C 7 52.288 52.288 55.649 -3.361 19198 3494 1 12 . 1 1 7 7 MET CB C 7 30.827 30.827 32.995 -2.168 19198 3495 1 12 . 1 1 7 7 MET H H 7 8.284 8.284 8.287 -0.003 19198 3496 1 12 . 1 1 8 8 LYS N N 8 124.204 124.204 119.293 4.911 19198 3497 1 12 . 1 1 8 8 LYS HA H 8 4.461 4.461 4.429 0.032 19198 3498 1 12 . 1 1 8 8 LYS CA C 8 53.986 53.986 56.365 -2.379 19198 3499 1 12 . 1 1 8 8 LYS CB C 8 31.771 31.771 33.161 -1.390 19198 3500 1 12 . 1 1 8 8 LYS H H 8 9.420 9.420 8.426 0.994 19198 3501 1 12 . 1 1 9 9 THR N N 9 113.488 113.488 108.642 4.846 19198 3502 1 12 . 1 1 9 9 THR HA H 9 4.366 4.366 4.751 -0.385 19198 3503 1 12 . 1 1 9 9 THR CA C 9 57.964 57.964 60.013 -2.049 19198 3504 1 12 . 1 1 9 9 THR CB C 9 68.912 68.912 72.060 -3.148 19198 3505 1 12 . 1 1 9 9 THR H H 9 8.817 8.817 7.886 0.931 19198 3506 1 12 . 1 1 10 10 GLN N N 10 121.509 121.509 121.284 0.225 19198 3507 1 12 . 1 1 10 10 GLN HA H 10 3.012 3.012 3.939 -0.927 19198 3508 1 12 . 1 1 10 10 GLN CA C 10 57.666 57.666 60.337 -2.671 19198 3509 1 12 . 1 1 10 10 GLN CB C 10 24.850 24.850 28.236 -3.386 19198 3510 1 12 . 1 1 10 10 GLN H H 10 8.586 8.586 8.858 -0.272 19198 3511 1 12 . 1 1 11 11 GLU N N 11 121.406 121.406 119.538 1.868 19198 3512 1 12 . 1 1 11 11 GLU HA H 11 3.801 3.801 4.014 -0.213 19198 3513 1 12 . 1 1 11 11 GLU CA C 11 57.739 57.739 59.778 -2.039 19198 3514 1 12 . 1 1 11 11 GLU CB C 11 26.332 26.332 29.044 -2.712 19198 3515 1 12 . 1 1 11 11 GLU H H 11 8.998 8.998 8.661 0.337 19198 3516 1 12 . 1 1 12 12 GLU N N 12 120.601 120.601 120.001 0.600 19198 3517 1 12 . 1 1 12 12 GLU HA H 12 3.864 3.864 4.001 -0.137 19198 3518 1 12 . 1 1 12 12 GLU CA C 12 56.542 56.542 59.295 -2.753 19198 3519 1 12 . 1 1 12 12 GLU CB C 12 27.796 27.796 29.618 -1.822 19198 3520 1 12 . 1 1 12 12 GLU H H 12 7.688 7.688 7.686 0.002 19198 3521 1 12 . 1 1 13 13 LEU N N 13 117.867 117.867 119.250 -1.383 19198 3522 1 12 . 1 1 13 13 LEU HA H 13 3.755 3.755 4.135 -0.380 19198 3523 1 12 . 1 1 13 13 LEU CA C 13 54.855 54.855 58.081 -3.226 19198 3524 1 12 . 1 1 13 13 LEU CB C 13 40.140 40.140 41.265 -1.125 19198 3525 1 12 . 1 1 13 13 LEU H H 13 8.172 8.172 8.599 -0.427 19198 3526 1 12 . 1 1 14 14 THR N N 14 115.136 115.136 116.275 -1.139 19198 3527 1 12 . 1 1 14 14 THR HA H 14 3.256 3.256 3.963 -0.707 19198 3528 1 12 . 1 1 14 14 THR CA C 14 64.768 64.768 67.338 -2.570 19198 3529 1 12 . 1 1 14 14 THR CB C 14 65.545 65.545 68.604 -3.059 19198 3530 1 12 . 1 1 14 14 THR H H 14 8.166 8.166 7.765 0.401 19198 3531 1 12 . 1 1 15 15 GLU N N 15 120.674 120.674 121.711 -1.037 19198 3532 1 12 . 1 1 15 15 GLU HA H 15 3.857 3.857 4.004 -0.147 19198 3533 1 12 . 1 1 15 15 GLU CA C 15 56.467 56.467 59.561 -3.094 19198 3534 1 12 . 1 1 15 15 GLU CB C 15 26.370 26.370 29.261 -2.891 19198 3535 1 12 . 1 1 15 15 GLU H H 15 7.504 7.504 8.279 -0.775 19198 3536 1 12 . 1 1 16 16 ILE N N 16 119.946 119.946 120.271 -0.325 19198 3537 1 12 . 1 1 16 16 ILE HA H 16 3.602 3.602 3.348 0.254 19198 3538 1 12 . 1 1 16 16 ILE CA C 16 62.428 62.428 65.333 -2.905 19198 3539 1 12 . 1 1 16 16 ILE CB C 16 35.913 35.913 37.642 -1.729 19198 3540 1 12 . 1 1 16 16 ILE H H 16 7.162 7.162 8.491 -1.329 19198 3541 1 12 . 1 1 17 17 VAL N N 17 120.087 120.087 117.954 2.133 19198 3542 1 12 . 1 1 17 17 VAL HA H 17 3.001 3.001 3.778 -0.777 19198 3543 1 12 . 1 1 17 17 VAL CA C 17 64.706 64.706 66.738 -2.032 19198 3544 1 12 . 1 1 17 17 VAL CB C 17 28.391 28.391 31.615 -3.224 19198 3545 1 12 . 1 1 17 17 VAL H H 17 7.539 7.539 7.458 0.081 19198 3546 1 12 . 1 1 18 18 ARG N N 18 121.099 121.099 120.767 0.332 19198 3547 1 12 . 1 1 18 18 ARG HA H 18 3.438 3.438 3.993 -0.555 19198 3548 1 12 . 1 1 18 18 ARG CA C 18 57.834 57.834 59.947 -2.113 19198 3549 1 12 . 1 1 18 18 ARG CB C 18 27.388 27.388 30.163 -2.775 19198 3550 1 12 . 1 1 18 18 ARG H H 18 8.708 8.708 8.459 0.249 19198 3551 1 12 . 1 1 19 19 ASP N N 19 118.955 118.955 114.936 4.019 19198 3552 1 12 . 1 1 19 19 ASP HA H 19 4.215 4.215 4.551 -0.336 19198 3553 1 12 . 1 1 19 19 ASP CA C 19 54.604 54.604 55.028 -0.424 19198 3554 1 12 . 1 1 19 19 ASP CB C 19 37.705 37.705 40.493 -2.788 19198 3555 1 12 . 1 1 19 19 ASP H H 19 8.286 8.286 8.370 -0.084 19198 3556 1 12 . 1 1 20 20 HIS N N 20 116.419 116.419 117.044 -0.625 19198 3557 1 12 . 1 1 20 20 HIS HA H 20 4.147 4.147 4.636 -0.489 19198 3558 1 12 . 1 1 20 20 HIS CA C 20 56.243 56.243 57.338 -1.095 19198 3559 1 12 . 1 1 20 20 HIS CB C 20 26.196 26.196 31.162 -4.966 19198 3560 1 12 . 1 1 20 20 HIS H H 20 7.532 7.532 7.389 0.143 19198 3561 1 12 . 1 1 21 21 PHE N N 21 116.347 116.347 120.915 -4.568 19198 3562 1 12 . 1 1 21 21 PHE HA H 21 4.463 4.463 4.794 -0.331 19198 3563 1 12 . 1 1 21 21 PHE CA C 21 58.279 58.279 57.884 0.395 19198 3564 1 12 . 1 1 21 21 PHE CB C 21 36.780 36.780 39.935 -3.155 19198 3565 1 12 . 1 1 21 21 PHE H H 21 7.983 7.983 8.444 -0.461 19198 3566 1 12 . 1 1 22 22 SER N N 22 116.555 116.555 116.323 0.232 19198 3567 1 12 . 1 1 22 22 SER HA H 22 4.541 4.541 4.219 0.322 19198 3568 1 12 . 1 1 22 22 SER CA C 22 59.013 59.013 61.626 -2.613 19198 3569 1 12 . 1 1 22 22 SER CB C 22 60.225 60.225 62.896 -2.671 19198 3570 1 12 . 1 1 22 22 SER H H 22 8.578 8.578 8.603 -0.025 19198 3571 1 12 . 1 1 23 23 ASP N N 23 118.564 118.564 121.066 -2.502 19198 3572 1 12 . 1 1 23 23 ASP HA H 23 4.581 4.581 4.611 -0.030 19198 3573 1 12 . 1 1 23 23 ASP CA C 23 52.796 52.796 56.113 -3.317 19198 3574 1 12 . 1 1 23 23 ASP CB C 23 38.460 38.460 41.270 -2.810 19198 3575 1 12 . 1 1 23 23 ASP H H 23 7.246 7.246 8.163 -0.917 19198 3576 1 12 . 1 1 24 24 MET N N 24 116.378 116.378 119.124 -2.746 19198 3577 1 12 . 1 1 24 24 MET HA H 24 4.207 4.207 4.817 -0.610 19198 3578 1 12 . 1 1 24 24 MET CA C 24 53.696 53.696 54.961 -1.265 19198 3579 1 12 . 1 1 24 24 MET CB C 24 32.101 32.101 32.881 -0.780 19198 3580 1 12 . 1 1 24 24 MET H H 24 7.958 7.958 7.845 0.114 19198 3581 1 12 . 1 1 25 25 GLY N N 25 107.470 107.470 108.355 -0.885 19198 3582 1 12 . 1 1 25 25 GLY CA C 25 42.230 42.230 44.666 -2.437 19198 3583 1 12 . 1 1 25 25 GLY H H 25 7.475 7.475 7.911 -0.436 19198 3584 1 12 . 1 1 26 26 GLU N N 26 117.869 117.869 120.806 -2.937 19198 3585 1 12 . 1 1 26 26 GLU HA H 26 4.452 4.452 4.491 -0.039 19198 3586 1 12 . 1 1 26 26 GLU CA C 26 52.851 52.851 54.842 -1.991 19198 3587 1 12 . 1 1 26 26 GLU CB C 26 27.412 27.412 31.990 -4.578 19198 3588 1 12 . 1 1 26 26 GLU H H 26 8.397 8.397 8.508 -0.111 19198 3589 1 12 . 1 1 27 27 ILE N N 27 129.460 129.460 123.716 5.744 19198 3590 1 12 . 1 1 27 27 ILE HA H 27 3.206 3.206 2.691 0.515 19198 3591 1 12 . 1 1 27 27 ILE CA C 27 61.133 61.133 61.807 -0.674 19198 3592 1 12 . 1 1 27 27 ILE CB C 27 36.987 36.987 37.533 -0.546 19198 3593 1 12 . 1 1 27 27 ILE H H 27 8.980 8.980 8.284 0.696 19198 3594 1 12 . 1 1 28 28 ALA N N 28 131.875 131.875 131.240 0.635 19198 3595 1 12 . 1 1 28 28 ALA HA H 28 4.492 4.492 4.162 0.330 19198 3596 1 12 . 1 1 28 28 ALA CA C 28 50.949 50.949 53.512 -2.563 19198 3597 1 12 . 1 1 28 28 ALA CB C 28 17.101 17.101 19.784 -2.683 19198 3598 1 12 . 1 1 28 28 ALA H H 28 9.208 9.208 8.214 0.994 19198 3599 1 12 . 1 1 29 29 THR N N 29 112.070 112.070 114.683 -2.613 19198 3600 1 12 . 1 1 29 29 THR HA H 29 4.346 4.346 4.453 -0.107 19198 3601 1 12 . 1 1 29 29 THR CA C 29 58.963 58.963 61.723 -2.760 19198 3602 1 12 . 1 1 29 29 THR CB C 29 69.475 69.475 70.214 -0.739 19198 3603 1 12 . 1 1 29 29 THR H H 29 7.803 7.803 7.882 -0.079 19198 3604 1 12 . 1 1 30 30 LEU N N 30 129.754 129.754 129.881 -0.127 19198 3605 1 12 . 1 1 30 30 LEU HA H 30 4.878 4.878 4.516 0.362 19198 3606 1 12 . 1 1 30 30 LEU CA C 30 52.316 52.316 54.751 -2.435 19198 3607 1 12 . 1 1 30 30 LEU CB C 30 42.195 42.195 43.557 -1.362 19198 3608 1 12 . 1 1 30 30 LEU H H 30 8.388 8.388 8.431 -0.043 19198 3609 1 12 . 1 1 31 31 TYR N N 31 124.642 124.642 123.362 1.280 19198 3610 1 12 . 1 1 31 31 TYR HA H 31 5.108 5.108 4.800 0.308 19198 3611 1 12 . 1 1 31 31 TYR CA C 31 52.174 52.174 55.760 -3.586 19198 3612 1 12 . 1 1 31 31 TYR CB C 31 38.406 38.406 38.910 -0.505 19198 3613 1 12 . 1 1 31 31 TYR H H 31 8.837 8.837 8.437 0.400 19198 3614 1 12 . 1 1 32 32 VAL N N 32 121.165 121.165 119.718 1.447 19198 3615 1 12 . 1 1 32 32 VAL HA H 32 4.083 4.083 4.420 -0.337 19198 3616 1 12 . 1 1 32 32 VAL CA C 32 59.645 59.645 61.078 -1.433 19198 3617 1 12 . 1 1 32 32 VAL CB C 32 32.016 32.016 34.530 -2.514 19198 3618 1 12 . 1 1 32 32 VAL H H 32 8.684 8.684 8.133 0.551 19198 3619 1 12 . 1 1 33 33 GLN N N 33 126.911 126.911 125.639 1.272 19198 3620 1 12 . 1 1 33 33 GLN HA H 33 4.462 4.462 4.242 0.220 19198 3621 1 12 . 1 1 33 33 GLN CA C 33 54.266 54.266 56.556 -2.290 19198 3622 1 12 . 1 1 33 33 GLN CB C 33 28.717 28.717 29.911 -1.194 19198 3623 1 12 . 1 1 33 33 GLN H H 33 9.633 9.633 8.625 1.008 19198 3624 1 12 . 1 1 34 34 VAL N N 34 117.041 117.041 112.844 4.197 19198 3625 1 12 . 1 1 34 34 VAL HA H 34 4.313 4.313 4.358 -0.045 19198 3626 1 12 . 1 1 34 34 VAL CA C 34 59.270 59.270 61.620 -2.349 19198 3627 1 12 . 1 1 34 34 VAL CB C 34 33.725 33.725 33.598 0.127 19198 3628 1 12 . 1 1 34 34 VAL H H 34 7.840 7.840 7.487 0.353 19198 3629 1 12 . 1 1 35 35 TYR N N 35 128.263 128.263 126.779 1.484 19198 3630 1 12 . 1 1 35 35 TYR HA H 35 5.415 5.415 5.161 0.254 19198 3631 1 12 . 1 1 35 35 TYR CA C 35 52.594 52.594 56.114 -3.520 19198 3632 1 12 . 1 1 35 35 TYR CB C 35 38.583 38.583 42.079 -3.496 19198 3633 1 12 . 1 1 35 35 TYR H H 35 8.580 8.580 8.439 0.141 19198 3634 1 12 . 1 1 36 36 GLU N N 36 129.574 129.574 124.048 5.526 19198 3635 1 12 . 1 1 36 36 GLU HA H 36 4.403 4.403 4.486 -0.083 19198 3636 1 12 . 1 1 36 36 GLU CA C 36 51.421 51.421 54.818 -3.397 19198 3637 1 12 . 1 1 36 36 GLU CB C 36 28.035 28.035 29.587 -1.552 19198 3638 1 12 . 1 1 36 36 GLU H H 36 8.118 8.118 8.197 -0.079 19198 3639 1 12 . 1 1 37 37 SER N N 37 121.805 121.805 121.161 0.644 19198 3640 1 12 . 1 1 37 37 SER HA H 37 3.754 3.754 4.212 -0.458 19198 3641 1 12 . 1 1 37 37 SER CA C 37 57.817 57.817 60.311 -2.494 19198 3642 1 12 . 1 1 37 37 SER CB C 37 60.041 60.041 63.434 -3.393 19198 3643 1 12 . 1 1 37 37 SER H H 37 8.312 8.312 8.570 -0.258 19198 3644 1 12 . 1 1 38 38 SER N N 38 116.337 116.337 114.855 1.482 19198 3645 1 12 . 1 1 38 38 SER HA H 38 4.214 4.214 4.587 -0.373 19198 3646 1 12 . 1 1 38 38 SER CA C 38 58.237 58.237 59.057 -0.820 19198 3647 1 12 . 1 1 38 38 SER CB C 38 60.243 60.243 64.355 -4.112 19198 3648 1 12 . 1 1 38 38 SER H H 38 8.389 8.389 8.124 0.265 19198 3649 1 12 . 1 1 39 39 LEU N N 39 119.070 119.070 118.989 0.081 19198 3650 1 12 . 1 1 39 39 LEU HA H 39 4.414 4.414 4.579 -0.165 19198 3651 1 12 . 1 1 39 39 LEU CA C 39 51.365 51.365 53.870 -2.505 19198 3652 1 12 . 1 1 39 39 LEU CB C 39 40.504 40.504 44.477 -3.973 19198 3653 1 12 . 1 1 39 39 LEU H H 39 6.905 6.905 6.987 -0.082 19198 3654 1 12 . 1 1 40 40 GLU N N 40 118.837 118.837 119.879 -1.042 19198 3655 1 12 . 1 1 40 40 GLU HA H 40 3.781 3.781 4.584 -0.803 19198 3656 1 12 . 1 1 40 40 GLU CA C 40 54.621 54.621 55.807 -1.186 19198 3657 1 12 . 1 1 40 40 GLU CB C 40 26.307 26.307 29.750 -3.442 19198 3658 1 12 . 1 1 40 40 GLU H H 40 7.814 7.814 8.426 -0.612 19198 3659 1 12 . 1 1 41 41 SER N N 41 110.546 110.546 115.380 -4.834 19198 3660 1 12 . 1 1 41 41 SER HA H 41 5.730 5.730 5.058 0.672 19198 3661 1 12 . 1 1 41 41 SER CA C 41 52.696 52.696 57.498 -4.802 19198 3662 1 12 . 1 1 41 41 SER CB C 41 63.820 63.820 66.062 -2.242 19198 3663 1 12 . 1 1 41 41 SER H H 41 7.452 7.452 8.027 -0.575 19198 3664 1 12 . 1 1 42 42 LEU N N 42 124.649 124.649 125.807 -1.158 19198 3665 1 12 . 1 1 42 42 LEU HA H 42 5.384 5.384 4.893 0.491 19198 3666 1 12 . 1 1 42 42 LEU CA C 42 51.231 51.231 54.568 -3.337 19198 3667 1 12 . 1 1 42 42 LEU CB C 42 46.451 46.451 45.374 1.077 19198 3668 1 12 . 1 1 42 42 LEU H H 42 9.281 9.281 8.486 0.795 19198 3669 1 12 . 1 1 43 43 VAL N N 43 125.093 125.093 123.517 1.576 19198 3670 1 12 . 1 1 43 43 VAL HA H 43 4.629 4.629 5.193 -0.564 19198 3671 1 12 . 1 1 43 43 VAL CA C 43 58.185 58.185 60.137 -1.952 19198 3672 1 12 . 1 1 43 43 VAL CB C 43 33.136 33.136 35.612 -2.476 19198 3673 1 12 . 1 1 43 43 VAL H H 43 8.849 8.849 8.216 0.633 19198 3674 1 12 . 1 1 44 44 GLY N N 44 114.807 114.807 109.936 4.871 19198 3675 1 12 . 1 1 44 44 GLY CA C 44 43.685 43.685 45.327 -1.642 19198 3676 1 12 . 1 1 44 44 GLY H H 44 7.156 7.156 8.382 -1.226 19198 3677 1 12 . 1 1 45 45 GLY N N 45 117.443 117.443 109.042 8.401 19198 3678 1 12 . 1 1 45 45 GLY CA C 45 43.268 43.268 45.615 -2.347 19198 3679 1 12 . 1 1 45 45 GLY H H 45 8.582 8.582 7.820 0.762 19198 3680 1 12 . 1 1 46 46 VAL N N 46 117.075 117.075 118.928 -1.853 19198 3681 1 12 . 1 1 46 46 VAL HA H 46 4.726 4.726 4.751 -0.025 19198 3682 1 12 . 1 1 46 46 VAL CA C 46 56.843 56.843 60.100 -3.257 19198 3683 1 12 . 1 1 46 46 VAL CB C 46 33.568 33.568 35.248 -1.680 19198 3684 1 12 . 1 1 46 46 VAL H H 46 8.875 8.875 8.388 0.487 19198 3685 1 12 . 1 1 47 47 ILE N N 47 125.899 125.899 127.670 -1.771 19198 3686 1 12 . 1 1 47 47 ILE HA H 47 4.778 4.778 4.437 0.341 19198 3687 1 12 . 1 1 47 47 ILE CB C 47 37.664 37.664 39.643 -1.979 19198 3688 1 12 . 1 1 47 47 ILE H H 47 8.765 8.765 8.293 0.472 19198 3689 1 12 . 1 1 48 48 PHE N N 48 126.624 126.624 124.734 1.890 19198 3690 1 12 . 1 1 48 48 PHE HA H 48 4.777 4.777 4.702 0.075 19198 3691 1 12 . 1 1 48 48 PHE CA C 48 56.162 56.162 57.267 -1.105 19198 3692 1 12 . 1 1 48 48 PHE CB C 48 38.742 38.742 42.712 -3.970 19198 3693 1 12 . 1 1 48 48 PHE H H 48 9.269 9.269 8.520 0.749 19198 3694 1 12 . 1 1 49 49 GLU N N 49 123.550 123.550 122.931 0.619 19198 3695 1 12 . 1 1 49 49 GLU HA H 49 4.021 4.021 4.048 -0.027 19198 3696 1 12 . 1 1 49 49 GLU CA C 49 56.574 56.574 59.540 -2.966 19198 3697 1 12 . 1 1 49 49 GLU CB C 49 26.939 26.939 29.886 -2.946 19198 3698 1 12 . 1 1 49 49 GLU H H 49 9.331 9.331 8.428 0.903 19198 3699 1 12 . 1 1 50 50 ASP N N 50 113.383 113.383 116.934 -3.551 19198 3700 1 12 . 1 1 50 50 ASP HA H 50 4.443 4.443 4.737 -0.294 19198 3701 1 12 . 1 1 50 50 ASP CA C 50 51.307 51.307 53.320 -2.013 19198 3702 1 12 . 1 1 50 50 ASP CB C 50 38.062 38.062 40.712 -2.650 19198 3703 1 12 . 1 1 50 50 ASP H H 50 7.674 7.674 8.323 -0.649 19198 3704 1 12 . 1 1 51 51 GLY N N 51 107.745 107.745 108.702 -0.957 19198 3705 1 12 . 1 1 51 51 GLY CA C 51 42.245 42.245 45.687 -3.442 19198 3706 1 12 . 1 1 51 51 GLY H H 51 7.884 7.884 7.559 0.325 19198 3707 1 12 . 1 1 52 52 ARG N N 52 120.713 120.713 121.097 -0.384 19198 3708 1 12 . 1 1 52 52 ARG HA H 52 4.292 4.292 4.563 -0.271 19198 3709 1 12 . 1 1 52 52 ARG CA C 52 55.314 55.314 55.169 0.145 19198 3710 1 12 . 1 1 52 52 ARG CB C 52 29.759 29.759 30.740 -0.981 19198 3711 1 12 . 1 1 52 52 ARG H H 52 7.880 7.880 7.968 -0.088 19198 3712 1 12 . 1 1 53 53 HIS N N 53 120.216 120.216 124.639 -4.423 19198 3713 1 12 . 1 1 53 53 HIS HA H 53 5.671 5.671 5.418 0.253 19198 3714 1 12 . 1 1 53 53 HIS CA C 53 50.579 50.579 54.409 -3.830 19198 3715 1 12 . 1 1 53 53 HIS CB C 53 29.165 29.165 30.734 -1.569 19198 3716 1 12 . 1 1 53 53 HIS H H 53 8.961 8.961 8.174 0.787 19198 3717 1 12 . 1 1 54 54 TYR N N 54 121.480 121.480 126.345 -4.865 19198 3718 1 12 . 1 1 54 54 TYR HA H 54 5.574 5.574 5.086 0.488 19198 3719 1 12 . 1 1 54 54 TYR CA C 54 53.397 53.397 56.479 -3.082 19198 3720 1 12 . 1 1 54 54 TYR CB C 54 39.788 39.788 43.106 -3.318 19198 3721 1 12 . 1 1 54 54 TYR H H 54 9.259 9.259 8.437 0.822 19198 3722 1 12 . 1 1 55 55 THR N N 55 113.818 113.818 116.864 -3.046 19198 3723 1 12 . 1 1 55 55 THR HA H 55 5.013 5.013 4.668 0.345 19198 3724 1 12 . 1 1 55 55 THR CA C 55 57.994 57.994 61.635 -3.641 19198 3725 1 12 . 1 1 55 55 THR CB C 55 67.733 67.733 67.699 0.034 19198 3726 1 12 . 1 1 55 55 THR H H 55 9.242 9.242 8.852 0.390 19198 3727 1 12 . 1 1 56 56 PHE HA H 56 5.987 5.987 4.480 1.507 19198 3728 1 12 . 1 1 56 56 PHE CA C 56 53.946 53.946 59.996 -6.050 19198 3729 1 12 . 1 1 56 56 PHE CB C 56 42.416 42.416 39.504 2.912 19198 3730 1 12 . 1 1 57 57 VAL N N 57 120.407 120.407 126.980 -6.573 19198 3731 1 12 . 1 1 57 57 VAL HA H 57 4.683 4.683 4.596 0.087 19198 3732 1 12 . 1 1 57 57 VAL CA C 57 59.696 59.696 61.026 -1.330 19198 3733 1 12 . 1 1 57 57 VAL CB C 57 33.227 33.227 34.221 -0.994 19198 3734 1 12 . 1 1 57 57 VAL H H 57 9.076 9.076 8.536 0.540 19198 3735 1 12 . 1 1 58 58 TYR N N 58 131.325 131.325 129.622 1.703 19198 3736 1 12 . 1 1 58 58 TYR HA H 58 5.504 5.504 5.362 0.142 19198 3737 1 12 . 1 1 58 58 TYR CA C 58 53.883 53.883 55.533 -1.650 19198 3738 1 12 . 1 1 58 58 TYR CB C 58 38.558 38.558 41.373 -2.814 19198 3739 1 12 . 1 1 58 58 TYR H H 58 9.821 9.821 9.395 0.426 19198 3740 1 12 . 1 1 59 59 GLU N N 59 123.904 123.904 126.396 -2.492 19198 3741 1 12 . 1 1 59 59 GLU HA H 59 4.519 4.519 4.532 -0.013 19198 3742 1 12 . 1 1 59 59 GLU CA C 59 52.718 52.718 54.657 -1.939 19198 3743 1 12 . 1 1 59 59 GLU CB C 59 29.084 29.084 32.707 -3.623 19198 3744 1 12 . 1 1 59 59 GLU H H 59 8.182 8.182 8.384 -0.202 19198 3745 1 12 . 1 1 60 60 ASN N N 60 123.227 123.227 123.487 -0.260 19198 3746 1 12 . 1 1 60 60 ASN HA H 60 4.247 4.247 4.000 0.247 19198 3747 1 12 . 1 1 60 60 ASN CA C 60 51.876 51.876 57.089 -5.213 19198 3748 1 12 . 1 1 60 60 ASN CB C 60 34.949 34.949 38.196 -3.247 19198 3749 1 12 . 1 1 60 60 ASN H H 60 9.566 9.566 9.001 0.565 19198 3750 1 12 . 1 1 61 61 GLU N N 61 107.647 107.647 113.232 -5.585 19198 3751 1 12 . 1 1 61 61 GLU HA H 61 3.500 3.500 4.467 -0.967 19198 3752 1 12 . 1 1 61 61 GLU CA C 61 54.765 54.765 56.035 -1.270 19198 3753 1 12 . 1 1 61 61 GLU CB C 61 25.167 25.167 31.753 -6.586 19198 3754 1 12 . 1 1 61 61 GLU H H 61 8.387 8.387 8.056 0.331 19198 3755 1 12 . 1 1 62 62 ASP N N 62 119.350 119.350 124.150 -4.800 19198 3756 1 12 . 1 1 62 62 ASP HA H 62 4.724 4.724 4.640 0.084 19198 3757 1 12 . 1 1 62 62 ASP CB C 62 41.251 41.251 41.934 -0.683 19198 3758 1 12 . 1 1 62 62 ASP H H 62 7.314 7.314 8.384 -1.070 19198 3759 1 12 . 1 1 63 63 LEU N N 63 123.998 123.998 126.385 -2.387 19198 3760 1 12 . 1 1 63 63 LEU HA H 63 5.037 5.037 5.252 -0.215 19198 3761 1 12 . 1 1 63 63 LEU CA C 63 51.075 51.075 54.042 -2.967 19198 3762 1 12 . 1 1 63 63 LEU CB C 63 42.312 42.312 43.901 -1.589 19198 3763 1 12 . 1 1 63 63 LEU H H 63 8.226 8.226 8.471 -0.245 19198 3764 1 12 . 1 1 64 64 VAL N N 64 127.167 127.167 127.260 -0.093 19198 3765 1 12 . 1 1 64 64 VAL HA H 64 4.361 4.361 4.395 -0.034 19198 3766 1 12 . 1 1 64 64 VAL CA C 64 58.470 58.470 61.017 -2.547 19198 3767 1 12 . 1 1 64 64 VAL CB C 64 31.939 31.939 35.891 -3.952 19198 3768 1 12 . 1 1 64 64 VAL H H 64 8.915 8.915 8.267 0.648 19198 3769 1 12 . 1 1 65 65 TYR N N 65 121.421 121.421 120.108 1.313 19198 3770 1 12 . 1 1 65 65 TYR HA H 65 5.893 5.893 5.652 0.241 19198 3771 1 12 . 1 1 65 65 TYR CA C 65 53.115 53.115 56.261 -3.147 19198 3772 1 12 . 1 1 65 65 TYR CB C 65 39.948 39.948 41.346 -1.398 19198 3773 1 12 . 1 1 65 65 TYR H H 65 8.207 8.207 8.101 0.106 19198 3774 1 12 . 1 1 66 66 GLU N N 66 117.842 117.842 118.200 -0.358 19198 3775 1 12 . 1 1 66 66 GLU HA H 66 4.793 4.793 5.000 -0.207 19198 3776 1 12 . 1 1 66 66 GLU CB C 66 30.949 30.949 33.075 -2.126 19198 3777 1 12 . 1 1 66 66 GLU H H 66 8.875 8.875 9.160 -0.285 19198 3778 1 12 . 1 1 67 67 GLU N N 67 125.220 125.220 119.745 5.475 19198 3779 1 12 . 1 1 67 67 GLU HA H 67 4.084 4.084 4.096 -0.012 19198 3780 1 12 . 1 1 67 67 GLU CA C 67 54.157 54.157 54.990 -0.834 19198 3781 1 12 . 1 1 67 67 GLU CB C 67 27.697 27.697 31.673 -3.976 19198 3782 1 12 . 1 1 67 67 GLU H H 67 9.033 9.033 8.634 0.399 19198 3783 1 12 . 1 1 68 68 GLU N N 68 127.058 127.058 125.663 1.395 19198 3784 1 12 . 1 1 68 68 GLU HA H 68 4.358 4.358 4.254 0.104 19198 3785 1 12 . 1 1 68 68 GLU CA C 68 53.193 53.193 56.213 -3.020 19198 3786 1 12 . 1 1 68 68 GLU CB C 68 28.405 28.405 29.546 -1.141 19198 3787 1 12 . 1 1 68 68 GLU H H 68 8.546 8.546 8.060 0.486 19198 3788 1 12 . 1 1 69 69 VAL N N 69 125.782 125.782 125.476 0.306 19198 3789 1 12 . 1 1 69 69 VAL HA H 69 4.046 4.046 4.266 -0.220 19198 3790 1 12 . 1 1 69 69 VAL CA C 69 59.775 59.775 62.065 -2.290 19198 3791 1 12 . 1 1 69 69 VAL CB C 69 30.174 30.174 30.969 -0.795 19198 3792 1 12 . 1 1 69 69 VAL H H 69 8.422 8.422 8.589 -0.167 19198 3793 1 13 . 1 1 3 3 ASP N N 3 120.996 120.996 120.551 0.445 19198 3794 1 13 . 1 1 3 3 ASP H H 3 8.416 8.416 8.755 -0.339 19198 3795 1 13 . 1 1 4 4 ARG N N 4 120.957 120.957 117.829 3.128 19198 3796 1 13 . 1 1 4 4 ARG H H 4 8.187 8.187 8.110 0.077 19198 3797 1 13 . 1 1 5 5 LYS N N 5 122.746 122.746 121.369 1.377 19198 3798 1 13 . 1 1 5 5 LYS HA H 5 4.209 4.209 4.354 -0.145 19198 3799 1 13 . 1 1 5 5 LYS CA C 5 53.562 53.562 56.763 -3.201 19198 3800 1 13 . 1 1 5 5 LYS CB C 5 30.595 30.595 31.235 -0.640 19198 3801 1 13 . 1 1 5 5 LYS H H 5 8.223 8.223 8.706 -0.483 19198 3802 1 13 . 1 1 6 6 LEU N N 6 124.432 124.432 121.389 3.043 19198 3803 1 13 . 1 1 6 6 LEU HA H 6 4.345 4.345 4.826 -0.481 19198 3804 1 13 . 1 1 6 6 LEU CA C 6 52.051 52.051 53.112 -1.061 19198 3805 1 13 . 1 1 6 6 LEU CB C 6 39.833 39.833 44.402 -4.569 19198 3806 1 13 . 1 1 6 6 LEU H H 6 8.258 8.258 7.612 0.646 19198 3807 1 13 . 1 1 7 7 MET N N 7 122.420 122.420 118.753 3.667 19198 3808 1 13 . 1 1 7 7 MET HA H 7 4.529 4.529 4.650 -0.121 19198 3809 1 13 . 1 1 7 7 MET CA C 7 52.288 52.288 55.249 -2.961 19198 3810 1 13 . 1 1 7 7 MET CB C 7 30.827 30.827 33.289 -2.462 19198 3811 1 13 . 1 1 7 7 MET H H 7 8.284 8.284 8.177 0.107 19198 3812 1 13 . 1 1 8 8 LYS N N 8 124.204 124.204 119.749 4.455 19198 3813 1 13 . 1 1 8 8 LYS HA H 8 4.461 4.461 4.482 -0.021 19198 3814 1 13 . 1 1 8 8 LYS CA C 8 53.986 53.986 56.711 -2.725 19198 3815 1 13 . 1 1 8 8 LYS CB C 8 31.771 31.771 33.445 -1.674 19198 3816 1 13 . 1 1 8 8 LYS H H 8 9.420 9.420 8.520 0.900 19198 3817 1 13 . 1 1 9 9 THR N N 9 113.488 113.488 106.474 7.014 19198 3818 1 13 . 1 1 9 9 THR HA H 9 4.366 4.366 4.809 -0.443 19198 3819 1 13 . 1 1 9 9 THR CA C 9 57.964 57.964 59.775 -1.811 19198 3820 1 13 . 1 1 9 9 THR CB C 9 68.912 68.912 72.174 -3.261 19198 3821 1 13 . 1 1 9 9 THR H H 9 8.817 8.817 7.969 0.848 19198 3822 1 13 . 1 1 10 10 GLN N N 10 121.509 121.509 120.573 0.936 19198 3823 1 13 . 1 1 10 10 GLN HA H 10 3.012 3.012 3.671 -0.659 19198 3824 1 13 . 1 1 10 10 GLN CA C 10 57.666 57.666 59.578 -1.912 19198 3825 1 13 . 1 1 10 10 GLN CB C 10 24.850 24.850 28.027 -3.177 19198 3826 1 13 . 1 1 10 10 GLN H H 10 8.586 8.586 8.633 -0.047 19198 3827 1 13 . 1 1 11 11 GLU N N 11 121.406 121.406 119.496 1.910 19198 3828 1 13 . 1 1 11 11 GLU HA H 11 3.801 3.801 3.950 -0.149 19198 3829 1 13 . 1 1 11 11 GLU CA C 11 57.739 57.739 59.821 -2.082 19198 3830 1 13 . 1 1 11 11 GLU CB C 11 26.332 26.332 29.444 -3.112 19198 3831 1 13 . 1 1 11 11 GLU H H 11 8.998 8.998 7.959 1.039 19198 3832 1 13 . 1 1 12 12 GLU N N 12 120.601 120.601 119.762 0.839 19198 3833 1 13 . 1 1 12 12 GLU HA H 12 3.864 3.864 4.078 -0.214 19198 3834 1 13 . 1 1 12 12 GLU CA C 12 56.542 56.542 59.193 -2.651 19198 3835 1 13 . 1 1 12 12 GLU CB C 12 27.796 27.796 29.717 -1.921 19198 3836 1 13 . 1 1 12 12 GLU H H 12 7.688 7.688 7.599 0.089 19198 3837 1 13 . 1 1 13 13 LEU N N 13 117.867 117.867 119.661 -1.794 19198 3838 1 13 . 1 1 13 13 LEU HA H 13 3.755 3.755 4.127 -0.372 19198 3839 1 13 . 1 1 13 13 LEU CA C 13 54.855 54.855 57.974 -3.119 19198 3840 1 13 . 1 1 13 13 LEU CB C 13 40.140 40.140 41.957 -1.817 19198 3841 1 13 . 1 1 13 13 LEU H H 13 8.172 8.172 8.631 -0.459 19198 3842 1 13 . 1 1 14 14 THR N N 14 115.136 115.136 115.745 -0.609 19198 3843 1 13 . 1 1 14 14 THR HA H 14 3.256 3.256 3.975 -0.719 19198 3844 1 13 . 1 1 14 14 THR CA C 14 64.768 64.768 67.271 -2.503 19198 3845 1 13 . 1 1 14 14 THR CB C 14 65.545 65.545 68.223 -2.678 19198 3846 1 13 . 1 1 14 14 THR H H 14 8.166 8.166 8.318 -0.152 19198 3847 1 13 . 1 1 15 15 GLU N N 15 120.674 120.674 121.502 -0.828 19198 3848 1 13 . 1 1 15 15 GLU HA H 15 3.857 3.857 3.978 -0.121 19198 3849 1 13 . 1 1 15 15 GLU CA C 15 56.467 56.467 59.484 -3.017 19198 3850 1 13 . 1 1 15 15 GLU CB C 15 26.370 26.370 29.108 -2.738 19198 3851 1 13 . 1 1 15 15 GLU H H 15 7.504 7.504 8.260 -0.756 19198 3852 1 13 . 1 1 16 16 ILE N N 16 119.946 119.946 120.332 -0.386 19198 3853 1 13 . 1 1 16 16 ILE HA H 16 3.602 3.602 3.343 0.259 19198 3854 1 13 . 1 1 16 16 ILE CA C 16 62.428 62.428 65.500 -3.072 19198 3855 1 13 . 1 1 16 16 ILE CB C 16 35.913 35.913 37.591 -1.678 19198 3856 1 13 . 1 1 16 16 ILE H H 16 7.162 7.162 7.903 -0.741 19198 3857 1 13 . 1 1 17 17 VAL N N 17 120.087 120.087 118.324 1.763 19198 3858 1 13 . 1 1 17 17 VAL HA H 17 3.001 3.001 3.717 -0.716 19198 3859 1 13 . 1 1 17 17 VAL CA C 17 64.706 64.706 66.022 -1.316 19198 3860 1 13 . 1 1 17 17 VAL CB C 17 28.391 28.391 30.824 -2.433 19198 3861 1 13 . 1 1 17 17 VAL H H 17 7.539 7.539 7.396 0.143 19198 3862 1 13 . 1 1 18 18 ARG N N 18 121.099 121.099 120.831 0.268 19198 3863 1 13 . 1 1 18 18 ARG HA H 18 3.438 3.438 4.035 -0.597 19198 3864 1 13 . 1 1 18 18 ARG CA C 18 57.834 57.834 59.924 -2.090 19198 3865 1 13 . 1 1 18 18 ARG CB C 18 27.388 27.388 30.053 -2.665 19198 3866 1 13 . 1 1 18 18 ARG H H 18 8.708 8.708 8.492 0.216 19198 3867 1 13 . 1 1 19 19 ASP N N 19 118.955 118.955 119.355 -0.400 19198 3868 1 13 . 1 1 19 19 ASP HA H 19 4.215 4.215 4.410 -0.195 19198 3869 1 13 . 1 1 19 19 ASP CA C 19 54.604 54.604 57.077 -2.473 19198 3870 1 13 . 1 1 19 19 ASP CB C 19 37.705 37.705 40.611 -2.906 19198 3871 1 13 . 1 1 19 19 ASP H H 19 8.286 8.286 8.547 -0.261 19198 3872 1 13 . 1 1 20 20 HIS N N 20 116.419 116.419 117.910 -1.491 19198 3873 1 13 . 1 1 20 20 HIS HA H 20 4.147 4.147 4.333 -0.186 19198 3874 1 13 . 1 1 20 20 HIS CA C 20 56.243 56.243 58.790 -2.547 19198 3875 1 13 . 1 1 20 20 HIS CB C 20 26.196 26.196 29.667 -3.471 19198 3876 1 13 . 1 1 20 20 HIS H H 20 7.532 7.532 8.423 -0.891 19198 3877 1 13 . 1 1 21 21 PHE N N 21 116.347 116.347 119.240 -2.893 19198 3878 1 13 . 1 1 21 21 PHE HA H 21 4.463 4.463 4.700 -0.237 19198 3879 1 13 . 1 1 21 21 PHE CA C 21 58.279 58.279 58.267 0.011 19198 3880 1 13 . 1 1 21 21 PHE CB C 21 36.780 36.780 39.606 -2.826 19198 3881 1 13 . 1 1 21 21 PHE H H 21 7.983 7.983 7.896 0.087 19198 3882 1 13 . 1 1 22 22 SER N N 22 116.555 116.555 116.690 -0.135 19198 3883 1 13 . 1 1 22 22 SER HA H 22 4.541 4.541 4.516 0.025 19198 3884 1 13 . 1 1 22 22 SER CA C 22 59.013 59.013 60.875 -1.862 19198 3885 1 13 . 1 1 22 22 SER CB C 22 60.225 60.225 62.532 -2.307 19198 3886 1 13 . 1 1 22 22 SER H H 22 8.578 8.578 8.762 -0.184 19198 3887 1 13 . 1 1 23 23 ASP N N 23 118.564 118.564 121.730 -3.166 19198 3888 1 13 . 1 1 23 23 ASP HA H 23 4.581 4.581 4.650 -0.069 19198 3889 1 13 . 1 1 23 23 ASP CA C 23 52.796 52.796 56.257 -3.461 19198 3890 1 13 . 1 1 23 23 ASP CB C 23 38.460 38.460 41.038 -2.578 19198 3891 1 13 . 1 1 23 23 ASP H H 23 7.246 7.246 8.248 -1.002 19198 3892 1 13 . 1 1 24 24 MET N N 24 116.378 116.378 116.640 -0.262 19198 3893 1 13 . 1 1 24 24 MET HA H 24 4.207 4.207 4.854 -0.647 19198 3894 1 13 . 1 1 24 24 MET CA C 24 53.696 53.696 55.372 -1.676 19198 3895 1 13 . 1 1 24 24 MET CB C 24 32.101 32.101 34.264 -2.163 19198 3896 1 13 . 1 1 24 24 MET H H 24 7.958 7.958 8.074 -0.116 19198 3897 1 13 . 1 1 25 25 GLY N N 25 107.470 107.470 106.366 1.104 19198 3898 1 13 . 1 1 25 25 GLY CA C 25 42.230 42.230 44.451 -2.221 19198 3899 1 13 . 1 1 25 25 GLY H H 25 7.475 7.475 7.490 -0.015 19198 3900 1 13 . 1 1 26 26 GLU N N 26 117.869 117.869 119.630 -1.761 19198 3901 1 13 . 1 1 26 26 GLU HA H 26 4.452 4.452 4.356 0.096 19198 3902 1 13 . 1 1 26 26 GLU CA C 26 52.851 52.851 54.498 -1.647 19198 3903 1 13 . 1 1 26 26 GLU CB C 26 27.412 27.412 31.155 -3.743 19198 3904 1 13 . 1 1 26 26 GLU H H 26 8.397 8.397 8.164 0.233 19198 3905 1 13 . 1 1 27 27 ILE N N 27 129.460 129.460 124.146 5.314 19198 3906 1 13 . 1 1 27 27 ILE HA H 27 3.206 3.206 3.692 -0.486 19198 3907 1 13 . 1 1 27 27 ILE CA C 27 61.133 61.133 61.401 -0.268 19198 3908 1 13 . 1 1 27 27 ILE CB C 27 36.987 36.987 37.661 -0.674 19198 3909 1 13 . 1 1 27 27 ILE H H 27 8.980 8.980 8.395 0.585 19198 3910 1 13 . 1 1 28 28 ALA N N 28 131.875 131.875 131.710 0.165 19198 3911 1 13 . 1 1 28 28 ALA HA H 28 4.492 4.492 4.124 0.368 19198 3912 1 13 . 1 1 28 28 ALA CA C 28 50.949 50.949 54.120 -3.171 19198 3913 1 13 . 1 1 28 28 ALA CB C 28 17.101 17.101 19.123 -2.022 19198 3914 1 13 . 1 1 28 28 ALA H H 28 9.208 9.208 8.557 0.651 19198 3915 1 13 . 1 1 29 29 THR N N 29 112.070 112.070 115.471 -3.401 19198 3916 1 13 . 1 1 29 29 THR HA H 29 4.346 4.346 4.478 -0.132 19198 3917 1 13 . 1 1 29 29 THR CA C 29 58.963 58.963 62.293 -3.330 19198 3918 1 13 . 1 1 29 29 THR CB C 29 69.475 69.475 69.321 0.154 19198 3919 1 13 . 1 1 29 29 THR H H 29 7.803 7.803 7.954 -0.151 19198 3920 1 13 . 1 1 30 30 LEU N N 30 129.754 129.754 129.772 -0.018 19198 3921 1 13 . 1 1 30 30 LEU HA H 30 4.878 4.878 4.787 0.091 19198 3922 1 13 . 1 1 30 30 LEU CA C 30 52.316 52.316 54.344 -2.029 19198 3923 1 13 . 1 1 30 30 LEU CB C 30 42.195 42.195 42.669 -0.474 19198 3924 1 13 . 1 1 30 30 LEU H H 30 8.388 8.388 8.761 -0.373 19198 3925 1 13 . 1 1 31 31 TYR N N 31 124.642 124.642 126.685 -2.043 19198 3926 1 13 . 1 1 31 31 TYR HA H 31 5.108 5.108 4.869 0.239 19198 3927 1 13 . 1 1 31 31 TYR CA C 31 52.174 52.174 56.331 -4.157 19198 3928 1 13 . 1 1 31 31 TYR CB C 31 38.406 38.406 39.420 -1.014 19198 3929 1 13 . 1 1 31 31 TYR H H 31 8.837 8.837 8.861 -0.024 19198 3930 1 13 . 1 1 32 32 VAL N N 32 121.165 121.165 119.370 1.795 19198 3931 1 13 . 1 1 32 32 VAL HA H 32 4.083 4.083 4.150 -0.067 19198 3932 1 13 . 1 1 32 32 VAL CA C 32 59.645 59.645 61.717 -2.071 19198 3933 1 13 . 1 1 32 32 VAL CB C 32 32.016 32.016 35.170 -3.154 19198 3934 1 13 . 1 1 32 32 VAL H H 32 8.684 8.684 8.146 0.538 19198 3935 1 13 . 1 1 33 33 GLN N N 33 126.911 126.911 126.925 -0.014 19198 3936 1 13 . 1 1 33 33 GLN HA H 33 4.462 4.462 4.250 0.212 19198 3937 1 13 . 1 1 33 33 GLN CA C 33 54.266 54.266 56.817 -2.551 19198 3938 1 13 . 1 1 33 33 GLN CB C 33 28.717 28.717 29.305 -0.589 19198 3939 1 13 . 1 1 33 33 GLN H H 33 9.633 9.633 8.484 1.149 19198 3940 1 13 . 1 1 34 34 VAL N N 34 117.041 117.041 112.591 4.450 19198 3941 1 13 . 1 1 34 34 VAL HA H 34 4.313 4.313 4.434 -0.121 19198 3942 1 13 . 1 1 34 34 VAL CA C 34 59.270 59.270 61.004 -1.734 19198 3943 1 13 . 1 1 34 34 VAL CB C 34 33.725 33.725 33.611 0.114 19198 3944 1 13 . 1 1 34 34 VAL H H 34 7.840 7.840 7.354 0.486 19198 3945 1 13 . 1 1 35 35 TYR N N 35 128.263 128.263 127.833 0.430 19198 3946 1 13 . 1 1 35 35 TYR HA H 35 5.415 5.415 5.037 0.378 19198 3947 1 13 . 1 1 35 35 TYR CA C 35 52.594 52.594 55.637 -3.043 19198 3948 1 13 . 1 1 35 35 TYR CB C 35 38.583 38.583 40.323 -1.740 19198 3949 1 13 . 1 1 35 35 TYR H H 35 8.580 8.580 8.565 0.015 19198 3950 1 13 . 1 1 36 36 GLU N N 36 129.574 129.574 128.343 1.231 19198 3951 1 13 . 1 1 36 36 GLU HA H 36 4.403 4.403 4.221 0.182 19198 3952 1 13 . 1 1 36 36 GLU CA C 36 51.421 51.421 55.164 -3.743 19198 3953 1 13 . 1 1 36 36 GLU CB C 36 28.035 28.035 29.191 -1.156 19198 3954 1 13 . 1 1 36 36 GLU H H 36 8.118 8.118 8.088 0.030 19198 3955 1 13 . 1 1 37 37 SER N N 37 121.805 121.805 120.398 1.407 19198 3956 1 13 . 1 1 37 37 SER HA H 37 3.754 3.754 3.829 -0.075 19198 3957 1 13 . 1 1 37 37 SER CA C 37 57.817 57.817 59.404 -1.587 19198 3958 1 13 . 1 1 37 37 SER CB C 37 60.041 60.041 63.254 -3.213 19198 3959 1 13 . 1 1 37 37 SER H H 37 8.312 8.312 8.361 -0.049 19198 3960 1 13 . 1 1 38 38 SER N N 38 116.337 116.337 114.507 1.830 19198 3961 1 13 . 1 1 38 38 SER HA H 38 4.214 4.214 4.542 -0.328 19198 3962 1 13 . 1 1 38 38 SER CA C 38 58.237 58.237 58.658 -0.421 19198 3963 1 13 . 1 1 38 38 SER CB C 38 60.243 60.243 64.198 -3.955 19198 3964 1 13 . 1 1 38 38 SER H H 38 8.389 8.389 7.745 0.644 19198 3965 1 13 . 1 1 39 39 LEU N N 39 119.070 119.070 121.439 -2.369 19198 3966 1 13 . 1 1 39 39 LEU HA H 39 4.414 4.414 4.685 -0.271 19198 3967 1 13 . 1 1 39 39 LEU CA C 39 51.365 51.365 53.860 -2.495 19198 3968 1 13 . 1 1 39 39 LEU CB C 39 40.504 40.504 42.725 -2.221 19198 3969 1 13 . 1 1 39 39 LEU H H 39 6.905 6.905 7.394 -0.489 19198 3970 1 13 . 1 1 40 40 GLU N N 40 118.837 118.837 120.690 -1.853 19198 3971 1 13 . 1 1 40 40 GLU HA H 40 3.781 3.781 4.538 -0.757 19198 3972 1 13 . 1 1 40 40 GLU CA C 40 54.621 54.621 55.839 -1.218 19198 3973 1 13 . 1 1 40 40 GLU CB C 40 26.307 26.307 29.455 -3.148 19198 3974 1 13 . 1 1 40 40 GLU H H 40 7.814 7.814 8.532 -0.718 19198 3975 1 13 . 1 1 41 41 SER N N 41 110.546 110.546 117.849 -7.303 19198 3976 1 13 . 1 1 41 41 SER HA H 41 5.730 5.730 5.118 0.612 19198 3977 1 13 . 1 1 41 41 SER CA C 41 52.696 52.696 57.440 -4.744 19198 3978 1 13 . 1 1 41 41 SER CB C 41 63.820 63.820 65.676 -1.856 19198 3979 1 13 . 1 1 41 41 SER H H 41 7.452 7.452 8.464 -1.012 19198 3980 1 13 . 1 1 42 42 LEU N N 42 124.649 124.649 128.697 -4.048 19198 3981 1 13 . 1 1 42 42 LEU HA H 42 5.384 5.384 4.895 0.489 19198 3982 1 13 . 1 1 42 42 LEU CA C 42 51.231 51.231 54.442 -3.211 19198 3983 1 13 . 1 1 42 42 LEU CB C 42 46.451 46.451 44.609 1.842 19198 3984 1 13 . 1 1 42 42 LEU H H 42 9.281 9.281 8.941 0.340 19198 3985 1 13 . 1 1 43 43 VAL N N 43 125.093 125.093 123.467 1.626 19198 3986 1 13 . 1 1 43 43 VAL HA H 43 4.629 4.629 5.166 -0.537 19198 3987 1 13 . 1 1 43 43 VAL CA C 43 58.185 58.185 59.973 -1.788 19198 3988 1 13 . 1 1 43 43 VAL CB C 43 33.136 33.136 35.275 -2.139 19198 3989 1 13 . 1 1 43 43 VAL H H 43 8.849 8.849 7.889 0.960 19198 3990 1 13 . 1 1 44 44 GLY N N 44 114.807 114.807 108.837 5.970 19198 3991 1 13 . 1 1 44 44 GLY CA C 44 43.685 43.685 45.438 -1.753 19198 3992 1 13 . 1 1 44 44 GLY H H 44 7.156 7.156 8.391 -1.235 19198 3993 1 13 . 1 1 45 45 GLY N N 45 117.443 117.443 109.167 8.276 19198 3994 1 13 . 1 1 45 45 GLY CA C 45 43.268 43.268 45.936 -2.668 19198 3995 1 13 . 1 1 45 45 GLY H H 45 8.582 8.582 7.764 0.818 19198 3996 1 13 . 1 1 46 46 VAL N N 46 117.075 117.075 118.483 -1.408 19198 3997 1 13 . 1 1 46 46 VAL HA H 46 4.726 4.726 4.707 0.019 19198 3998 1 13 . 1 1 46 46 VAL CA C 46 56.843 56.843 60.143 -3.300 19198 3999 1 13 . 1 1 46 46 VAL CB C 46 33.568 33.568 35.730 -2.162 19198 4000 1 13 . 1 1 46 46 VAL H H 46 8.875 8.875 8.411 0.464 19198 4001 1 13 . 1 1 47 47 ILE N N 47 125.899 125.899 125.407 0.492 19198 4002 1 13 . 1 1 47 47 ILE HA H 47 4.778 4.778 4.564 0.214 19198 4003 1 13 . 1 1 47 47 ILE CB C 47 37.664 37.664 39.493 -1.829 19198 4004 1 13 . 1 1 47 47 ILE H H 47 8.765 8.765 8.179 0.586 19198 4005 1 13 . 1 1 48 48 PHE N N 48 126.624 126.624 126.850 -0.226 19198 4006 1 13 . 1 1 48 48 PHE HA H 48 4.777 4.777 4.552 0.225 19198 4007 1 13 . 1 1 48 48 PHE CA C 48 56.162 56.162 57.380 -1.218 19198 4008 1 13 . 1 1 48 48 PHE CB C 48 38.742 38.742 40.062 -1.320 19198 4009 1 13 . 1 1 48 48 PHE H H 48 9.269 9.269 8.822 0.447 19198 4010 1 13 . 1 1 49 49 GLU N N 49 123.550 123.550 122.903 0.647 19198 4011 1 13 . 1 1 49 49 GLU HA H 49 4.021 4.021 4.019 0.002 19198 4012 1 13 . 1 1 49 49 GLU CA C 49 56.574 56.574 59.332 -2.758 19198 4013 1 13 . 1 1 49 49 GLU CB C 49 26.939 26.939 29.554 -2.615 19198 4014 1 13 . 1 1 49 49 GLU H H 49 9.331 9.331 8.579 0.752 19198 4015 1 13 . 1 1 50 50 ASP N N 50 113.383 113.383 117.417 -4.034 19198 4016 1 13 . 1 1 50 50 ASP HA H 50 4.443 4.443 4.581 -0.138 19198 4017 1 13 . 1 1 50 50 ASP CA C 50 51.307 51.307 54.754 -3.447 19198 4018 1 13 . 1 1 50 50 ASP CB C 50 38.062 38.062 40.791 -2.729 19198 4019 1 13 . 1 1 50 50 ASP H H 50 7.674 7.674 8.236 -0.562 19198 4020 1 13 . 1 1 51 51 GLY N N 51 107.745 107.745 108.461 -0.716 19198 4021 1 13 . 1 1 51 51 GLY CA C 51 42.245 42.245 45.011 -2.766 19198 4022 1 13 . 1 1 51 51 GLY H H 51 7.884 7.884 7.742 0.142 19198 4023 1 13 . 1 1 52 52 ARG N N 52 120.713 120.713 120.423 0.290 19198 4024 1 13 . 1 1 52 52 ARG HA H 52 4.292 4.292 4.417 -0.125 19198 4025 1 13 . 1 1 52 52 ARG CA C 52 55.314 55.314 54.696 0.618 19198 4026 1 13 . 1 1 52 52 ARG CB C 52 29.759 29.759 31.650 -1.891 19198 4027 1 13 . 1 1 52 52 ARG H H 52 7.880 7.880 7.603 0.277 19198 4028 1 13 . 1 1 53 53 HIS N N 53 120.216 120.216 124.892 -4.676 19198 4029 1 13 . 1 1 53 53 HIS HA H 53 5.671 5.671 5.622 0.049 19198 4030 1 13 . 1 1 53 53 HIS CA C 53 50.579 50.579 53.070 -2.491 19198 4031 1 13 . 1 1 53 53 HIS CB C 53 29.165 29.165 32.739 -3.574 19198 4032 1 13 . 1 1 53 53 HIS H H 53 8.961 8.961 8.457 0.504 19198 4033 1 13 . 1 1 54 54 TYR N N 54 121.480 121.480 123.755 -2.275 19198 4034 1 13 . 1 1 54 54 TYR HA H 54 5.574 5.574 4.801 0.773 19198 4035 1 13 . 1 1 54 54 TYR CA C 54 53.397 53.397 56.173 -2.776 19198 4036 1 13 . 1 1 54 54 TYR CB C 54 39.788 39.788 42.947 -3.159 19198 4037 1 13 . 1 1 54 54 TYR H H 54 9.259 9.259 8.942 0.317 19198 4038 1 13 . 1 1 55 55 THR N N 55 113.818 113.818 115.956 -2.138 19198 4039 1 13 . 1 1 55 55 THR HA H 55 5.013 5.013 4.612 0.401 19198 4040 1 13 . 1 1 55 55 THR CA C 55 57.994 57.994 61.541 -3.547 19198 4041 1 13 . 1 1 55 55 THR CB C 55 67.733 67.733 67.674 0.059 19198 4042 1 13 . 1 1 55 55 THR H H 55 9.242 9.242 8.815 0.427 19198 4043 1 13 . 1 1 56 56 PHE HA H 56 5.987 5.987 4.693 1.294 19198 4044 1 13 . 1 1 56 56 PHE CA C 56 53.946 53.946 59.064 -5.118 19198 4045 1 13 . 1 1 56 56 PHE CB C 56 42.416 42.416 38.803 3.613 19198 4046 1 13 . 1 1 57 57 VAL N N 57 120.407 120.407 125.943 -5.536 19198 4047 1 13 . 1 1 57 57 VAL HA H 57 4.683 4.683 4.548 0.135 19198 4048 1 13 . 1 1 57 57 VAL CA C 57 59.696 59.696 60.463 -0.767 19198 4049 1 13 . 1 1 57 57 VAL CB C 57 33.227 33.227 34.836 -1.609 19198 4050 1 13 . 1 1 57 57 VAL H H 57 9.076 9.076 8.595 0.481 19198 4051 1 13 . 1 1 58 58 TYR N N 58 131.325 131.325 130.617 0.708 19198 4052 1 13 . 1 1 58 58 TYR HA H 58 5.504 5.504 5.426 0.078 19198 4053 1 13 . 1 1 58 58 TYR CA C 58 53.883 53.883 55.012 -1.129 19198 4054 1 13 . 1 1 58 58 TYR CB C 58 38.558 38.558 40.271 -1.713 19198 4055 1 13 . 1 1 58 58 TYR H H 58 9.821 9.821 9.054 0.767 19198 4056 1 13 . 1 1 59 59 GLU N N 59 123.904 123.904 128.286 -4.382 19198 4057 1 13 . 1 1 59 59 GLU HA H 59 4.519 4.519 4.484 0.035 19198 4058 1 13 . 1 1 59 59 GLU CA C 59 52.718 52.718 54.805 -2.087 19198 4059 1 13 . 1 1 59 59 GLU CB C 59 29.084 29.084 31.701 -2.617 19198 4060 1 13 . 1 1 59 59 GLU H H 59 8.182 8.182 8.746 -0.564 19198 4061 1 13 . 1 1 60 60 ASN N N 60 123.227 123.227 125.953 -2.726 19198 4062 1 13 . 1 1 60 60 ASN HA H 60 4.247 4.247 4.062 0.184 19198 4063 1 13 . 1 1 60 60 ASN CA C 60 51.876 51.876 56.700 -4.824 19198 4064 1 13 . 1 1 60 60 ASN CB C 60 34.949 34.949 37.560 -2.611 19198 4065 1 13 . 1 1 60 60 ASN H H 60 9.566 9.566 8.545 1.021 19198 4066 1 13 . 1 1 61 61 GLU N N 61 107.647 107.647 115.315 -7.668 19198 4067 1 13 . 1 1 61 61 GLU HA H 61 3.500 3.500 4.562 -1.062 19198 4068 1 13 . 1 1 61 61 GLU CA C 61 54.765 54.765 56.061 -1.296 19198 4069 1 13 . 1 1 61 61 GLU CB C 61 25.167 25.167 31.928 -6.761 19198 4070 1 13 . 1 1 61 61 GLU H H 61 8.387 8.387 8.298 0.089 19198 4071 1 13 . 1 1 62 62 ASP N N 62 119.350 119.350 121.153 -1.803 19198 4072 1 13 . 1 1 62 62 ASP HA H 62 4.724 4.724 4.939 -0.215 19198 4073 1 13 . 1 1 62 62 ASP CB C 62 41.251 41.251 45.154 -3.903 19198 4074 1 13 . 1 1 62 62 ASP H H 62 7.314 7.314 8.086 -0.772 19198 4075 1 13 . 1 1 63 63 LEU N N 63 123.998 123.998 122.713 1.285 19198 4076 1 13 . 1 1 63 63 LEU HA H 63 5.037 5.037 5.308 -0.271 19198 4077 1 13 . 1 1 63 63 LEU CA C 63 51.075 51.075 53.687 -2.612 19198 4078 1 13 . 1 1 63 63 LEU CB C 63 42.312 42.312 44.669 -2.357 19198 4079 1 13 . 1 1 63 63 LEU H H 63 8.226 8.226 8.321 -0.095 19198 4080 1 13 . 1 1 64 64 VAL N N 64 127.167 127.167 125.096 2.071 19198 4081 1 13 . 1 1 64 64 VAL HA H 64 4.361 4.361 4.488 -0.127 19198 4082 1 13 . 1 1 64 64 VAL CA C 64 58.470 58.470 60.890 -2.420 19198 4083 1 13 . 1 1 64 64 VAL CB C 64 31.939 31.939 35.406 -3.467 19198 4084 1 13 . 1 1 64 64 VAL H H 64 8.915 8.915 8.698 0.217 19198 4085 1 13 . 1 1 65 65 TYR N N 65 121.421 121.421 120.274 1.147 19198 4086 1 13 . 1 1 65 65 TYR HA H 65 5.893 5.893 5.131 0.762 19198 4087 1 13 . 1 1 65 65 TYR CA C 65 53.115 53.115 56.902 -3.787 19198 4088 1 13 . 1 1 65 65 TYR CB C 65 39.948 39.948 40.459 -0.511 19198 4089 1 13 . 1 1 65 65 TYR H H 65 8.207 8.207 7.914 0.293 19198 4090 1 13 . 1 1 66 66 GLU N N 66 117.842 117.842 120.627 -2.785 19198 4091 1 13 . 1 1 66 66 GLU HA H 66 4.793 4.793 4.355 0.438 19198 4092 1 13 . 1 1 66 66 GLU CB C 66 30.949 30.949 31.685 -0.736 19198 4093 1 13 . 1 1 66 66 GLU H H 66 8.875 8.875 9.367 -0.492 19198 4094 1 13 . 1 1 67 67 GLU N N 67 125.220 125.220 119.330 5.890 19198 4095 1 13 . 1 1 67 67 GLU HA H 67 4.084 4.084 4.833 -0.749 19198 4096 1 13 . 1 1 67 67 GLU CA C 67 54.157 54.157 55.829 -1.672 19198 4097 1 13 . 1 1 67 67 GLU CB C 67 27.697 27.697 32.829 -5.132 19198 4098 1 13 . 1 1 67 67 GLU H H 67 9.033 9.033 8.011 1.022 19198 4099 1 13 . 1 1 68 68 GLU N N 68 127.058 127.058 121.871 5.187 19198 4100 1 13 . 1 1 68 68 GLU HA H 68 4.358 4.358 4.560 -0.202 19198 4101 1 13 . 1 1 68 68 GLU CA C 68 53.193 53.193 56.018 -2.825 19198 4102 1 13 . 1 1 68 68 GLU CB C 68 28.405 28.405 30.605 -2.200 19198 4103 1 13 . 1 1 68 68 GLU H H 68 8.546 8.546 8.483 0.063 19198 4104 1 13 . 1 1 69 69 VAL N N 69 125.782 125.782 125.686 0.096 19198 4105 1 13 . 1 1 69 69 VAL HA H 69 4.046 4.046 4.257 -0.211 19198 4106 1 13 . 1 1 69 69 VAL CA C 69 59.775 59.775 62.020 -2.245 19198 4107 1 13 . 1 1 69 69 VAL CB C 69 30.174 30.174 31.903 -1.729 19198 4108 1 13 . 1 1 69 69 VAL H H 69 8.422 8.422 8.531 -0.109 19198 4109 1 14 . 1 1 3 3 ASP N N 3 120.996 120.996 120.319 0.677 19198 4110 1 14 . 1 1 3 3 ASP H H 3 8.416 8.416 8.347 0.069 19198 4111 1 14 . 1 1 4 4 ARG N N 4 120.957 120.957 119.948 1.009 19198 4112 1 14 . 1 1 4 4 ARG H H 4 8.187 8.187 8.557 -0.370 19198 4113 1 14 . 1 1 5 5 LYS N N 5 122.746 122.746 120.763 1.983 19198 4114 1 14 . 1 1 5 5 LYS HA H 5 4.209 4.209 4.489 -0.280 19198 4115 1 14 . 1 1 5 5 LYS CA C 5 53.562 53.562 56.376 -2.813 19198 4116 1 14 . 1 1 5 5 LYS CB C 5 30.595 30.595 33.378 -2.783 19198 4117 1 14 . 1 1 5 5 LYS H H 5 8.223 8.223 8.056 0.167 19198 4118 1 14 . 1 1 6 6 LEU N N 6 124.432 124.432 123.267 1.165 19198 4119 1 14 . 1 1 6 6 LEU HA H 6 4.345 4.345 4.758 -0.413 19198 4120 1 14 . 1 1 6 6 LEU CA C 6 52.051 52.051 54.259 -2.208 19198 4121 1 14 . 1 1 6 6 LEU CB C 6 39.833 39.833 43.107 -3.274 19198 4122 1 14 . 1 1 6 6 LEU H H 6 8.258 8.258 8.348 -0.090 19198 4123 1 14 . 1 1 7 7 MET N N 7 122.420 122.420 120.062 2.358 19198 4124 1 14 . 1 1 7 7 MET HA H 7 4.529 4.529 4.707 -0.178 19198 4125 1 14 . 1 1 7 7 MET CA C 7 52.288 52.288 53.690 -1.402 19198 4126 1 14 . 1 1 7 7 MET CB C 7 30.827 30.827 33.113 -2.286 19198 4127 1 14 . 1 1 7 7 MET H H 7 8.284 8.284 8.233 0.051 19198 4128 1 14 . 1 1 8 8 LYS N N 8 124.204 124.204 121.156 3.048 19198 4129 1 14 . 1 1 8 8 LYS HA H 8 4.461 4.461 4.505 -0.044 19198 4130 1 14 . 1 1 8 8 LYS CA C 8 53.986 53.986 56.941 -2.955 19198 4131 1 14 . 1 1 8 8 LYS CB C 8 31.771 31.771 33.224 -1.453 19198 4132 1 14 . 1 1 8 8 LYS H H 8 9.420 9.420 8.595 0.825 19198 4133 1 14 . 1 1 9 9 THR N N 9 113.488 113.488 106.855 6.633 19198 4134 1 14 . 1 1 9 9 THR HA H 9 4.366 4.366 4.869 -0.503 19198 4135 1 14 . 1 1 9 9 THR CA C 9 57.964 57.964 59.495 -1.531 19198 4136 1 14 . 1 1 9 9 THR CB C 9 68.912 68.912 72.249 -3.337 19198 4137 1 14 . 1 1 9 9 THR H H 9 8.817 8.817 7.952 0.865 19198 4138 1 14 . 1 1 10 10 GLN N N 10 121.509 121.509 121.495 0.014 19198 4139 1 14 . 1 1 10 10 GLN HA H 10 3.012 3.012 3.402 -0.390 19198 4140 1 14 . 1 1 10 10 GLN CA C 10 57.666 57.666 60.005 -2.339 19198 4141 1 14 . 1 1 10 10 GLN CB C 10 24.850 24.850 27.945 -3.095 19198 4142 1 14 . 1 1 10 10 GLN H H 10 8.586 8.586 8.489 0.097 19198 4143 1 14 . 1 1 11 11 GLU N N 11 121.406 121.406 119.302 2.104 19198 4144 1 14 . 1 1 11 11 GLU HA H 11 3.801 3.801 3.885 -0.084 19198 4145 1 14 . 1 1 11 11 GLU CA C 11 57.739 57.739 59.652 -1.913 19198 4146 1 14 . 1 1 11 11 GLU CB C 11 26.332 26.332 29.146 -2.814 19198 4147 1 14 . 1 1 11 11 GLU H H 11 8.998 8.998 8.532 0.466 19198 4148 1 14 . 1 1 12 12 GLU N N 12 120.601 120.601 119.515 1.086 19198 4149 1 14 . 1 1 12 12 GLU HA H 12 3.864 3.864 4.026 -0.162 19198 4150 1 14 . 1 1 12 12 GLU CA C 12 56.542 56.542 59.304 -2.762 19198 4151 1 14 . 1 1 12 12 GLU CB C 12 27.796 27.796 29.678 -1.882 19198 4152 1 14 . 1 1 12 12 GLU H H 12 7.688 7.688 7.523 0.165 19198 4153 1 14 . 1 1 13 13 LEU N N 13 117.867 117.867 119.341 -1.474 19198 4154 1 14 . 1 1 13 13 LEU HA H 13 3.755 3.755 4.173 -0.418 19198 4155 1 14 . 1 1 13 13 LEU CA C 13 54.855 54.855 57.901 -3.046 19198 4156 1 14 . 1 1 13 13 LEU CB C 13 40.140 40.140 40.821 -0.681 19198 4157 1 14 . 1 1 13 13 LEU H H 13 8.172 8.172 8.401 -0.229 19198 4158 1 14 . 1 1 14 14 THR N N 14 115.136 115.136 115.130 0.006 19198 4159 1 14 . 1 1 14 14 THR HA H 14 3.256 3.256 4.124 -0.868 19198 4160 1 14 . 1 1 14 14 THR CA C 14 64.768 64.768 67.038 -2.270 19198 4161 1 14 . 1 1 14 14 THR CB C 14 65.545 65.545 68.393 -2.848 19198 4162 1 14 . 1 1 14 14 THR H H 14 8.166 8.166 8.602 -0.436 19198 4163 1 14 . 1 1 15 15 GLU N N 15 120.674 120.674 122.574 -1.900 19198 4164 1 14 . 1 1 15 15 GLU HA H 15 3.857 3.857 4.181 -0.324 19198 4165 1 14 . 1 1 15 15 GLU CA C 15 56.467 56.467 59.161 -2.694 19198 4166 1 14 . 1 1 15 15 GLU CB C 15 26.370 26.370 29.252 -2.882 19198 4167 1 14 . 1 1 15 15 GLU H H 15 7.504 7.504 8.117 -0.613 19198 4168 1 14 . 1 1 16 16 ILE N N 16 119.946 119.946 120.699 -0.753 19198 4169 1 14 . 1 1 16 16 ILE HA H 16 3.602 3.602 3.686 -0.084 19198 4170 1 14 . 1 1 16 16 ILE CA C 16 62.428 62.428 65.553 -3.125 19198 4171 1 14 . 1 1 16 16 ILE CB C 16 35.913 35.913 37.945 -2.032 19198 4172 1 14 . 1 1 16 16 ILE H H 16 7.162 7.162 8.641 -1.479 19198 4173 1 14 . 1 1 17 17 VAL N N 17 120.087 120.087 117.473 2.614 19198 4174 1 14 . 1 1 17 17 VAL HA H 17 3.001 3.001 3.696 -0.695 19198 4175 1 14 . 1 1 17 17 VAL CA C 17 64.706 64.706 66.029 -1.323 19198 4176 1 14 . 1 1 17 17 VAL CB C 17 28.391 28.391 31.758 -3.367 19198 4177 1 14 . 1 1 17 17 VAL H H 17 7.539 7.539 7.808 -0.269 19198 4178 1 14 . 1 1 18 18 ARG N N 18 121.099 121.099 121.309 -0.210 19198 4179 1 14 . 1 1 18 18 ARG HA H 18 3.438 3.438 3.994 -0.556 19198 4180 1 14 . 1 1 18 18 ARG CA C 18 57.834 57.834 59.914 -2.080 19198 4181 1 14 . 1 1 18 18 ARG CB C 18 27.388 27.388 30.138 -2.750 19198 4182 1 14 . 1 1 18 18 ARG H H 18 8.708 8.708 8.433 0.275 19198 4183 1 14 . 1 1 19 19 ASP N N 19 118.955 118.955 116.547 2.408 19198 4184 1 14 . 1 1 19 19 ASP HA H 19 4.215 4.215 4.505 -0.290 19198 4185 1 14 . 1 1 19 19 ASP CA C 19 54.604 54.604 56.416 -1.812 19198 4186 1 14 . 1 1 19 19 ASP CB C 19 37.705 37.705 40.871 -3.166 19198 4187 1 14 . 1 1 19 19 ASP H H 19 8.286 8.286 8.203 0.083 19198 4188 1 14 . 1 1 20 20 HIS N N 20 116.419 116.419 115.449 0.970 19198 4189 1 14 . 1 1 20 20 HIS HA H 20 4.147 4.147 4.669 -0.522 19198 4190 1 14 . 1 1 20 20 HIS CA C 20 56.243 56.243 56.301 -0.058 19198 4191 1 14 . 1 1 20 20 HIS CB C 20 26.196 26.196 31.152 -4.956 19198 4192 1 14 . 1 1 20 20 HIS H H 20 7.532 7.532 7.850 -0.318 19198 4193 1 14 . 1 1 21 21 PHE N N 21 116.347 116.347 118.238 -1.891 19198 4194 1 14 . 1 1 21 21 PHE HA H 21 4.463 4.463 4.801 -0.338 19198 4195 1 14 . 1 1 21 21 PHE CA C 21 58.279 58.279 57.838 0.441 19198 4196 1 14 . 1 1 21 21 PHE CB C 21 36.780 36.780 41.990 -5.210 19198 4197 1 14 . 1 1 21 21 PHE H H 21 7.983 7.983 8.215 -0.232 19198 4198 1 14 . 1 1 22 22 SER N N 22 116.555 116.555 116.656 -0.101 19198 4199 1 14 . 1 1 22 22 SER HA H 22 4.541 4.541 4.359 0.182 19198 4200 1 14 . 1 1 22 22 SER CA C 22 59.013 59.013 60.598 -1.585 19198 4201 1 14 . 1 1 22 22 SER CB C 22 60.225 60.225 63.374 -3.149 19198 4202 1 14 . 1 1 22 22 SER H H 22 8.578 8.578 8.331 0.247 19198 4203 1 14 . 1 1 23 23 ASP N N 23 118.564 118.564 119.713 -1.149 19198 4204 1 14 . 1 1 23 23 ASP HA H 23 4.581 4.581 4.803 -0.222 19198 4205 1 14 . 1 1 23 23 ASP CA C 23 52.796 52.796 54.556 -1.760 19198 4206 1 14 . 1 1 23 23 ASP CB C 23 38.460 38.460 41.333 -2.873 19198 4207 1 14 . 1 1 23 23 ASP H H 23 7.246 7.246 8.402 -1.156 19198 4208 1 14 . 1 1 24 24 MET N N 24 116.378 116.378 117.575 -1.197 19198 4209 1 14 . 1 1 24 24 MET HA H 24 4.207 4.207 4.684 -0.477 19198 4210 1 14 . 1 1 24 24 MET CA C 24 53.696 53.696 55.822 -2.126 19198 4211 1 14 . 1 1 24 24 MET CB C 24 32.101 32.101 34.231 -2.130 19198 4212 1 14 . 1 1 24 24 MET H H 24 7.958 7.958 8.209 -0.251 19198 4213 1 14 . 1 1 25 25 GLY N N 25 107.470 107.470 109.158 -1.688 19198 4214 1 14 . 1 1 25 25 GLY CA C 25 42.230 42.230 45.038 -2.808 19198 4215 1 14 . 1 1 25 25 GLY H H 25 7.475 7.475 7.577 -0.102 19198 4216 1 14 . 1 1 26 26 GLU N N 26 117.869 117.869 120.934 -3.065 19198 4217 1 14 . 1 1 26 26 GLU HA H 26 4.452 4.452 4.292 0.160 19198 4218 1 14 . 1 1 26 26 GLU CA C 26 52.851 52.851 54.836 -1.985 19198 4219 1 14 . 1 1 26 26 GLU CB C 26 27.412 27.412 29.450 -2.038 19198 4220 1 14 . 1 1 26 26 GLU H H 26 8.397 8.397 7.549 0.848 19198 4221 1 14 . 1 1 27 27 ILE N N 27 129.460 129.460 123.534 5.926 19198 4222 1 14 . 1 1 27 27 ILE HA H 27 3.206 3.206 3.741 -0.535 19198 4223 1 14 . 1 1 27 27 ILE CA C 27 61.133 61.133 62.779 -1.647 19198 4224 1 14 . 1 1 27 27 ILE CB C 27 36.987 36.987 38.102 -1.115 19198 4225 1 14 . 1 1 27 27 ILE H H 27 8.980 8.980 8.082 0.898 19198 4226 1 14 . 1 1 28 28 ALA N N 28 131.875 131.875 129.644 2.231 19198 4227 1 14 . 1 1 28 28 ALA HA H 28 4.492 4.492 4.598 -0.106 19198 4228 1 14 . 1 1 28 28 ALA CA C 28 50.949 50.949 52.887 -1.938 19198 4229 1 14 . 1 1 28 28 ALA CB C 28 17.101 17.101 20.958 -3.857 19198 4230 1 14 . 1 1 28 28 ALA H H 28 9.208 9.208 8.955 0.253 19198 4231 1 14 . 1 1 29 29 THR N N 29 112.070 112.070 116.288 -4.218 19198 4232 1 14 . 1 1 29 29 THR HA H 29 4.346 4.346 4.474 -0.128 19198 4233 1 14 . 1 1 29 29 THR CA C 29 58.963 58.963 61.526 -2.563 19198 4234 1 14 . 1 1 29 29 THR CB C 29 69.475 69.475 70.154 -0.680 19198 4235 1 14 . 1 1 29 29 THR H H 29 7.803 7.803 8.111 -0.308 19198 4236 1 14 . 1 1 30 30 LEU N N 30 129.754 129.754 129.387 0.367 19198 4237 1 14 . 1 1 30 30 LEU HA H 30 4.878 4.878 4.602 0.276 19198 4238 1 14 . 1 1 30 30 LEU CA C 30 52.316 52.316 55.146 -2.830 19198 4239 1 14 . 1 1 30 30 LEU CB C 30 42.195 42.195 41.654 0.541 19198 4240 1 14 . 1 1 30 30 LEU H H 30 8.388 8.388 8.552 -0.164 19198 4241 1 14 . 1 1 31 31 TYR N N 31 124.642 124.642 125.698 -1.056 19198 4242 1 14 . 1 1 31 31 TYR HA H 31 5.108 5.108 4.798 0.310 19198 4243 1 14 . 1 1 31 31 TYR CA C 31 52.174 52.174 55.898 -3.724 19198 4244 1 14 . 1 1 31 31 TYR CB C 31 38.406 38.406 39.866 -1.460 19198 4245 1 14 . 1 1 31 31 TYR H H 31 8.837 8.837 8.620 0.217 19198 4246 1 14 . 1 1 32 32 VAL N N 32 121.165 121.165 119.620 1.545 19198 4247 1 14 . 1 1 32 32 VAL HA H 32 4.083 4.083 4.124 -0.041 19198 4248 1 14 . 1 1 32 32 VAL CA C 32 59.645 59.645 60.926 -1.281 19198 4249 1 14 . 1 1 32 32 VAL CB C 32 32.016 32.016 34.348 -2.332 19198 4250 1 14 . 1 1 32 32 VAL H H 32 8.684 8.684 8.086 0.598 19198 4251 1 14 . 1 1 33 33 GLN N N 33 126.911 126.911 123.561 3.350 19198 4252 1 14 . 1 1 33 33 GLN HA H 33 4.462 4.462 4.447 0.015 19198 4253 1 14 . 1 1 33 33 GLN CA C 33 54.266 54.266 55.736 -1.470 19198 4254 1 14 . 1 1 33 33 GLN CB C 33 28.717 28.717 29.626 -0.909 19198 4255 1 14 . 1 1 33 33 GLN H H 33 9.633 9.633 8.448 1.185 19198 4256 1 14 . 1 1 34 34 VAL N N 34 117.041 117.041 119.519 -2.478 19198 4257 1 14 . 1 1 34 34 VAL HA H 34 4.313 4.313 4.366 -0.053 19198 4258 1 14 . 1 1 34 34 VAL CA C 34 59.270 59.270 61.895 -2.625 19198 4259 1 14 . 1 1 34 34 VAL CB C 34 33.725 33.725 34.094 -0.369 19198 4260 1 14 . 1 1 34 34 VAL H H 34 7.840 7.840 7.377 0.463 19198 4261 1 14 . 1 1 35 35 TYR N N 35 128.263 128.263 129.226 -0.963 19198 4262 1 14 . 1 1 35 35 TYR HA H 35 5.415 5.415 4.887 0.528 19198 4263 1 14 . 1 1 35 35 TYR CA C 35 52.594 52.594 55.010 -2.416 19198 4264 1 14 . 1 1 35 35 TYR CB C 35 38.583 38.583 39.534 -0.951 19198 4265 1 14 . 1 1 35 35 TYR H H 35 8.580 8.580 8.590 -0.010 19198 4266 1 14 . 1 1 36 36 GLU N N 36 129.574 129.574 128.785 0.789 19198 4267 1 14 . 1 1 36 36 GLU HA H 36 4.403 4.403 4.231 0.172 19198 4268 1 14 . 1 1 36 36 GLU CA C 36 51.421 51.421 54.785 -3.364 19198 4269 1 14 . 1 1 36 36 GLU CB C 36 28.035 28.035 29.266 -1.231 19198 4270 1 14 . 1 1 36 36 GLU H H 36 8.118 8.118 8.227 -0.109 19198 4271 1 14 . 1 1 37 37 SER N N 37 121.805 121.805 121.862 -0.057 19198 4272 1 14 . 1 1 37 37 SER HA H 37 3.754 3.754 3.583 0.171 19198 4273 1 14 . 1 1 37 37 SER CA C 37 57.817 57.817 59.643 -1.826 19198 4274 1 14 . 1 1 37 37 SER CB C 37 60.041 60.041 62.707 -2.666 19198 4275 1 14 . 1 1 37 37 SER H H 37 8.312 8.312 8.089 0.223 19198 4276 1 14 . 1 1 38 38 SER N N 38 116.337 116.337 114.598 1.739 19198 4277 1 14 . 1 1 38 38 SER HA H 38 4.214 4.214 4.604 -0.390 19198 4278 1 14 . 1 1 38 38 SER CA C 38 58.237 58.237 58.312 -0.075 19198 4279 1 14 . 1 1 38 38 SER CB C 38 60.243 60.243 63.958 -3.715 19198 4280 1 14 . 1 1 38 38 SER H H 38 8.389 8.389 8.209 0.180 19198 4281 1 14 . 1 1 39 39 LEU N N 39 119.070 119.070 119.807 -0.737 19198 4282 1 14 . 1 1 39 39 LEU HA H 39 4.414 4.414 4.608 -0.194 19198 4283 1 14 . 1 1 39 39 LEU CA C 39 51.365 51.365 53.423 -2.058 19198 4284 1 14 . 1 1 39 39 LEU CB C 39 40.504 40.504 45.553 -5.049 19198 4285 1 14 . 1 1 39 39 LEU H H 39 6.905 6.905 7.270 -0.365 19198 4286 1 14 . 1 1 40 40 GLU N N 40 118.837 118.837 120.646 -1.809 19198 4287 1 14 . 1 1 40 40 GLU HA H 40 3.781 3.781 4.653 -0.872 19198 4288 1 14 . 1 1 40 40 GLU CA C 40 54.621 54.621 55.931 -1.310 19198 4289 1 14 . 1 1 40 40 GLU CB C 40 26.307 26.307 29.172 -2.865 19198 4290 1 14 . 1 1 40 40 GLU H H 40 7.814 7.814 8.697 -0.883 19198 4291 1 14 . 1 1 41 41 SER N N 41 110.546 110.546 117.272 -6.726 19198 4292 1 14 . 1 1 41 41 SER HA H 41 5.730 5.730 5.125 0.605 19198 4293 1 14 . 1 1 41 41 SER CA C 41 52.696 52.696 57.232 -4.536 19198 4294 1 14 . 1 1 41 41 SER CB C 41 63.820 63.820 65.904 -2.084 19198 4295 1 14 . 1 1 41 41 SER H H 41 7.452 7.452 8.123 -0.671 19198 4296 1 14 . 1 1 42 42 LEU N N 42 124.649 124.649 128.411 -3.762 19198 4297 1 14 . 1 1 42 42 LEU HA H 42 5.384 5.384 5.287 0.097 19198 4298 1 14 . 1 1 42 42 LEU CA C 42 51.231 51.231 54.616 -3.385 19198 4299 1 14 . 1 1 42 42 LEU CB C 42 46.451 46.451 45.592 0.859 19198 4300 1 14 . 1 1 42 42 LEU H H 42 9.281 9.281 8.279 1.002 19198 4301 1 14 . 1 1 43 43 VAL N N 43 125.093 125.093 124.572 0.521 19198 4302 1 14 . 1 1 43 43 VAL HA H 43 4.629 4.629 5.139 -0.510 19198 4303 1 14 . 1 1 43 43 VAL CA C 43 58.185 58.185 60.434 -2.248 19198 4304 1 14 . 1 1 43 43 VAL CB C 43 33.136 33.136 35.398 -2.263 19198 4305 1 14 . 1 1 43 43 VAL H H 43 8.849 8.849 8.694 0.155 19198 4306 1 14 . 1 1 44 44 GLY N N 44 114.807 114.807 113.056 1.751 19198 4307 1 14 . 1 1 44 44 GLY CA C 44 43.685 43.685 45.146 -1.461 19198 4308 1 14 . 1 1 44 44 GLY H H 44 7.156 7.156 9.123 -1.967 19198 4309 1 14 . 1 1 45 45 GLY N N 45 117.443 117.443 111.316 6.127 19198 4310 1 14 . 1 1 45 45 GLY CA C 45 43.268 43.268 45.656 -2.388 19198 4311 1 14 . 1 1 45 45 GLY H H 45 8.582 8.582 8.425 0.157 19198 4312 1 14 . 1 1 46 46 VAL N N 46 117.075 117.075 112.546 4.529 19198 4313 1 14 . 1 1 46 46 VAL HA H 46 4.726 4.726 5.065 -0.339 19198 4314 1 14 . 1 1 46 46 VAL CA C 46 56.843 56.843 59.499 -2.656 19198 4315 1 14 . 1 1 46 46 VAL CB C 46 33.568 33.568 35.485 -1.917 19198 4316 1 14 . 1 1 46 46 VAL H H 46 8.875 8.875 8.891 -0.016 19198 4317 1 14 . 1 1 47 47 ILE N N 47 125.899 125.899 120.480 5.419 19198 4318 1 14 . 1 1 47 47 ILE HA H 47 4.778 4.778 4.317 0.461 19198 4319 1 14 . 1 1 47 47 ILE CB C 47 37.664 37.664 39.718 -2.054 19198 4320 1 14 . 1 1 47 47 ILE H H 47 8.765 8.765 8.283 0.482 19198 4321 1 14 . 1 1 48 48 PHE N N 48 126.624 126.624 126.954 -0.330 19198 4322 1 14 . 1 1 48 48 PHE HA H 48 4.777 4.777 4.828 -0.051 19198 4323 1 14 . 1 1 48 48 PHE CA C 48 56.162 56.162 56.022 0.140 19198 4324 1 14 . 1 1 48 48 PHE CB C 48 38.742 38.742 39.826 -1.084 19198 4325 1 14 . 1 1 48 48 PHE H H 48 9.269 9.269 8.385 0.884 19198 4326 1 14 . 1 1 49 49 GLU N N 49 123.550 123.550 120.569 2.981 19198 4327 1 14 . 1 1 49 49 GLU HA H 49 4.021 4.021 4.034 -0.013 19198 4328 1 14 . 1 1 49 49 GLU CA C 49 56.574 56.574 59.346 -2.772 19198 4329 1 14 . 1 1 49 49 GLU CB C 49 26.939 26.939 29.577 -2.638 19198 4330 1 14 . 1 1 49 49 GLU H H 49 9.331 9.331 8.525 0.806 19198 4331 1 14 . 1 1 50 50 ASP N N 50 113.383 113.383 116.879 -3.496 19198 4332 1 14 . 1 1 50 50 ASP HA H 50 4.443 4.443 4.750 -0.307 19198 4333 1 14 . 1 1 50 50 ASP CA C 50 51.307 51.307 53.838 -2.531 19198 4334 1 14 . 1 1 50 50 ASP CB C 50 38.062 38.062 41.531 -3.469 19198 4335 1 14 . 1 1 50 50 ASP H H 50 7.674 7.674 8.066 -0.392 19198 4336 1 14 . 1 1 51 51 GLY N N 51 107.745 107.745 108.997 -1.252 19198 4337 1 14 . 1 1 51 51 GLY CA C 51 42.245 42.245 45.391 -3.146 19198 4338 1 14 . 1 1 51 51 GLY H H 51 7.884 7.884 8.133 -0.249 19198 4339 1 14 . 1 1 52 52 ARG N N 52 120.713 120.713 119.656 1.057 19198 4340 1 14 . 1 1 52 52 ARG HA H 52 4.292 4.292 4.226 0.066 19198 4341 1 14 . 1 1 52 52 ARG CA C 52 55.314 55.314 54.611 0.702 19198 4342 1 14 . 1 1 52 52 ARG CB C 52 29.759 29.759 30.958 -1.199 19198 4343 1 14 . 1 1 52 52 ARG H H 52 7.880 7.880 7.864 0.016 19198 4344 1 14 . 1 1 53 53 HIS N N 53 120.216 120.216 124.531 -4.315 19198 4345 1 14 . 1 1 53 53 HIS HA H 53 5.671 5.671 4.958 0.713 19198 4346 1 14 . 1 1 53 53 HIS CA C 53 50.579 50.579 54.664 -4.085 19198 4347 1 14 . 1 1 53 53 HIS CB C 53 29.165 29.165 31.238 -2.072 19198 4348 1 14 . 1 1 53 53 HIS H H 53 8.961 8.961 8.497 0.464 19198 4349 1 14 . 1 1 54 54 TYR N N 54 121.480 121.480 126.696 -5.216 19198 4350 1 14 . 1 1 54 54 TYR HA H 54 5.574 5.574 4.767 0.807 19198 4351 1 14 . 1 1 54 54 TYR CA C 54 53.397 53.397 56.500 -3.103 19198 4352 1 14 . 1 1 54 54 TYR CB C 54 39.788 39.788 41.469 -1.681 19198 4353 1 14 . 1 1 54 54 TYR H H 54 9.259 9.259 9.455 -0.196 19198 4354 1 14 . 1 1 55 55 THR N N 55 113.818 113.818 118.233 -4.415 19198 4355 1 14 . 1 1 55 55 THR HA H 55 5.013 5.013 4.313 0.700 19198 4356 1 14 . 1 1 55 55 THR CA C 55 57.994 57.994 63.239 -5.245 19198 4357 1 14 . 1 1 55 55 THR CB C 55 67.733 67.733 69.642 -1.909 19198 4358 1 14 . 1 1 55 55 THR H H 55 9.242 9.242 8.746 0.496 19198 4359 1 14 . 1 1 56 56 PHE HA H 56 5.987 5.987 5.142 0.845 19198 4360 1 14 . 1 1 56 56 PHE CA C 56 53.946 53.946 57.110 -3.164 19198 4361 1 14 . 1 1 56 56 PHE CB C 56 42.416 42.416 42.918 -0.502 19198 4362 1 14 . 1 1 57 57 VAL N N 57 120.407 120.407 127.218 -6.811 19198 4363 1 14 . 1 1 57 57 VAL HA H 57 4.683 4.683 4.592 0.091 19198 4364 1 14 . 1 1 57 57 VAL CA C 57 59.696 59.696 60.886 -1.190 19198 4365 1 14 . 1 1 57 57 VAL CB C 57 33.227 33.227 34.890 -1.663 19198 4366 1 14 . 1 1 57 57 VAL H H 57 9.076 9.076 8.953 0.123 19198 4367 1 14 . 1 1 58 58 TYR N N 58 131.325 131.325 130.642 0.683 19198 4368 1 14 . 1 1 58 58 TYR HA H 58 5.504 5.504 5.196 0.308 19198 4369 1 14 . 1 1 58 58 TYR CA C 58 53.883 53.883 54.146 -0.263 19198 4370 1 14 . 1 1 58 58 TYR CB C 58 38.558 38.558 39.117 -0.559 19198 4371 1 14 . 1 1 58 58 TYR H H 58 9.821 9.821 9.205 0.616 19198 4372 1 14 . 1 1 59 59 GLU N N 59 123.904 123.904 127.210 -3.306 19198 4373 1 14 . 1 1 59 59 GLU HA H 59 4.519 4.519 4.431 0.088 19198 4374 1 14 . 1 1 59 59 GLU CA C 59 52.718 52.718 55.064 -2.346 19198 4375 1 14 . 1 1 59 59 GLU CB C 59 29.084 29.084 28.373 0.711 19198 4376 1 14 . 1 1 59 59 GLU H H 59 8.182 8.182 8.474 -0.292 19198 4377 1 14 . 1 1 60 60 ASN N N 60 123.227 123.227 123.734 -0.507 19198 4378 1 14 . 1 1 60 60 ASN HA H 60 4.247 4.247 4.111 0.136 19198 4379 1 14 . 1 1 60 60 ASN CA C 60 51.876 51.876 55.834 -3.958 19198 4380 1 14 . 1 1 60 60 ASN CB C 60 34.949 34.949 37.638 -2.689 19198 4381 1 14 . 1 1 60 60 ASN H H 60 9.566 9.566 8.372 1.194 19198 4382 1 14 . 1 1 61 61 GLU N N 61 107.647 107.647 116.106 -8.459 19198 4383 1 14 . 1 1 61 61 GLU HA H 61 3.500 3.500 4.286 -0.786 19198 4384 1 14 . 1 1 61 61 GLU CA C 61 54.765 54.765 55.821 -1.056 19198 4385 1 14 . 1 1 61 61 GLU CB C 61 25.167 25.167 32.015 -6.848 19198 4386 1 14 . 1 1 61 61 GLU H H 61 8.387 8.387 8.052 0.335 19198 4387 1 14 . 1 1 62 62 ASP N N 62 119.350 119.350 123.091 -3.741 19198 4388 1 14 . 1 1 62 62 ASP HA H 62 4.724 4.724 4.719 0.005 19198 4389 1 14 . 1 1 62 62 ASP CB C 62 41.251 41.251 41.767 -0.517 19198 4390 1 14 . 1 1 62 62 ASP H H 62 7.314 7.314 8.013 -0.699 19198 4391 1 14 . 1 1 63 63 LEU N N 63 123.998 123.998 127.417 -3.419 19198 4392 1 14 . 1 1 63 63 LEU HA H 63 5.037 5.037 4.912 0.125 19198 4393 1 14 . 1 1 63 63 LEU CA C 63 51.075 51.075 54.032 -2.957 19198 4394 1 14 . 1 1 63 63 LEU CB C 63 42.312 42.312 42.883 -0.571 19198 4395 1 14 . 1 1 63 63 LEU H H 63 8.226 8.226 8.655 -0.429 19198 4396 1 14 . 1 1 64 64 VAL N N 64 127.167 127.167 126.637 0.530 19198 4397 1 14 . 1 1 64 64 VAL HA H 64 4.361 4.361 4.297 0.064 19198 4398 1 14 . 1 1 64 64 VAL CA C 64 58.470 58.470 60.026 -1.556 19198 4399 1 14 . 1 1 64 64 VAL CB C 64 31.939 31.939 34.712 -2.773 19198 4400 1 14 . 1 1 64 64 VAL H H 64 8.915 8.915 8.586 0.329 19198 4401 1 14 . 1 1 65 65 TYR N N 65 121.421 121.421 119.561 1.860 19198 4402 1 14 . 1 1 65 65 TYR HA H 65 5.893 5.893 4.945 0.948 19198 4403 1 14 . 1 1 65 65 TYR CA C 65 53.115 53.115 57.055 -3.940 19198 4404 1 14 . 1 1 65 65 TYR CB C 65 39.948 39.948 39.737 0.211 19198 4405 1 14 . 1 1 65 65 TYR H H 65 8.207 8.207 8.085 0.122 19198 4406 1 14 . 1 1 66 66 GLU N N 66 117.842 117.842 119.492 -1.650 19198 4407 1 14 . 1 1 66 66 GLU HA H 66 4.793 4.793 4.648 0.145 19198 4408 1 14 . 1 1 66 66 GLU CB C 66 30.949 30.949 31.822 -0.873 19198 4409 1 14 . 1 1 66 66 GLU H H 66 8.875 8.875 9.069 -0.194 19198 4410 1 14 . 1 1 67 67 GLU N N 67 125.220 125.220 121.104 4.116 19198 4411 1 14 . 1 1 67 67 GLU HA H 67 4.084 4.084 4.728 -0.644 19198 4412 1 14 . 1 1 67 67 GLU CA C 67 54.157 54.157 56.682 -2.525 19198 4413 1 14 . 1 1 67 67 GLU CB C 67 27.697 27.697 32.555 -4.858 19198 4414 1 14 . 1 1 67 67 GLU H H 67 9.033 9.033 8.212 0.821 19198 4415 1 14 . 1 1 68 68 GLU N N 68 127.058 127.058 123.539 3.519 19198 4416 1 14 . 1 1 68 68 GLU HA H 68 4.358 4.358 4.567 -0.209 19198 4417 1 14 . 1 1 68 68 GLU CA C 68 53.193 53.193 55.361 -2.168 19198 4418 1 14 . 1 1 68 68 GLU CB C 68 28.405 28.405 30.399 -1.994 19198 4419 1 14 . 1 1 68 68 GLU H H 68 8.546 8.546 8.332 0.214 19198 4420 1 14 . 1 1 69 69 VAL N N 69 125.782 125.782 121.012 4.770 19198 4421 1 14 . 1 1 69 69 VAL HA H 69 4.046 4.046 4.472 -0.426 19198 4422 1 14 . 1 1 69 69 VAL CA C 69 59.775 59.775 61.947 -2.172 19198 4423 1 14 . 1 1 69 69 VAL CB C 69 30.174 30.174 32.190 -2.016 19198 4424 1 14 . 1 1 69 69 VAL H H 69 8.422 8.422 8.336 0.086 19198 4425 1 15 . 1 1 3 3 ASP N N 3 120.996 120.996 118.196 2.800 19198 4426 1 15 . 1 1 3 3 ASP H H 3 8.416 8.416 7.915 0.501 19198 4427 1 15 . 1 1 4 4 ARG N N 4 120.957 120.957 118.399 2.558 19198 4428 1 15 . 1 1 4 4 ARG H H 4 8.187 8.187 8.083 0.104 19198 4429 1 15 . 1 1 5 5 LYS N N 5 122.746 122.746 121.761 0.985 19198 4430 1 15 . 1 1 5 5 LYS HA H 5 4.209 4.209 4.478 -0.269 19198 4431 1 15 . 1 1 5 5 LYS CA C 5 53.562 53.562 56.409 -2.847 19198 4432 1 15 . 1 1 5 5 LYS CB C 5 30.595 30.595 33.029 -2.434 19198 4433 1 15 . 1 1 5 5 LYS H H 5 8.223 8.223 8.064 0.159 19198 4434 1 15 . 1 1 6 6 LEU N N 6 124.432 124.432 123.797 0.635 19198 4435 1 15 . 1 1 6 6 LEU HA H 6 4.345 4.345 4.645 -0.300 19198 4436 1 15 . 1 1 6 6 LEU CA C 6 52.051 52.051 53.941 -1.890 19198 4437 1 15 . 1 1 6 6 LEU CB C 6 39.833 39.833 43.087 -3.254 19198 4438 1 15 . 1 1 6 6 LEU H H 6 8.258 8.258 8.320 -0.062 19198 4439 1 15 . 1 1 7 7 MET N N 7 122.420 122.420 118.994 3.426 19198 4440 1 15 . 1 1 7 7 MET HA H 7 4.529 4.529 4.612 -0.083 19198 4441 1 15 . 1 1 7 7 MET CA C 7 52.288 52.288 54.848 -2.560 19198 4442 1 15 . 1 1 7 7 MET CB C 7 30.827 30.827 32.736 -1.909 19198 4443 1 15 . 1 1 7 7 MET H H 7 8.284 8.284 8.308 -0.024 19198 4444 1 15 . 1 1 8 8 LYS N N 8 124.204 124.204 121.318 2.886 19198 4445 1 15 . 1 1 8 8 LYS HA H 8 4.461 4.461 4.220 0.241 19198 4446 1 15 . 1 1 8 8 LYS CA C 8 53.986 53.986 56.767 -2.781 19198 4447 1 15 . 1 1 8 8 LYS CB C 8 31.771 31.771 33.197 -1.426 19198 4448 1 15 . 1 1 8 8 LYS H H 8 9.420 9.420 8.426 0.994 19198 4449 1 15 . 1 1 9 9 THR N N 9 113.488 113.488 110.418 3.070 19198 4450 1 15 . 1 1 9 9 THR HA H 9 4.366 4.366 4.624 -0.258 19198 4451 1 15 . 1 1 9 9 THR CA C 9 57.964 57.964 60.233 -2.269 19198 4452 1 15 . 1 1 9 9 THR CB C 9 68.912 68.912 71.899 -2.987 19198 4453 1 15 . 1 1 9 9 THR H H 9 8.817 8.817 7.894 0.923 19198 4454 1 15 . 1 1 10 10 GLN N N 10 121.509 121.509 121.486 0.023 19198 4455 1 15 . 1 1 10 10 GLN HA H 10 3.012 3.012 3.761 -0.749 19198 4456 1 15 . 1 1 10 10 GLN CA C 10 57.666 57.666 60.135 -2.469 19198 4457 1 15 . 1 1 10 10 GLN CB C 10 24.850 24.850 27.921 -3.071 19198 4458 1 15 . 1 1 10 10 GLN H H 10 8.586 8.586 8.565 0.021 19198 4459 1 15 . 1 1 11 11 GLU N N 11 121.406 121.406 118.667 2.739 19198 4460 1 15 . 1 1 11 11 GLU HA H 11 3.801 3.801 3.916 -0.115 19198 4461 1 15 . 1 1 11 11 GLU CA C 11 57.739 57.739 60.012 -2.273 19198 4462 1 15 . 1 1 11 11 GLU CB C 11 26.332 26.332 29.188 -2.856 19198 4463 1 15 . 1 1 11 11 GLU H H 11 8.998 8.998 8.745 0.253 19198 4464 1 15 . 1 1 12 12 GLU N N 12 120.601 120.601 119.389 1.212 19198 4465 1 15 . 1 1 12 12 GLU HA H 12 3.864 3.864 3.997 -0.133 19198 4466 1 15 . 1 1 12 12 GLU CA C 12 56.542 56.542 59.181 -2.639 19198 4467 1 15 . 1 1 12 12 GLU CB C 12 27.796 27.796 29.652 -1.856 19198 4468 1 15 . 1 1 12 12 GLU H H 12 7.688 7.688 7.564 0.124 19198 4469 1 15 . 1 1 13 13 LEU N N 13 117.867 117.867 119.713 -1.846 19198 4470 1 15 . 1 1 13 13 LEU HA H 13 3.755 3.755 3.797 -0.042 19198 4471 1 15 . 1 1 13 13 LEU CA C 13 54.855 54.855 57.992 -3.137 19198 4472 1 15 . 1 1 13 13 LEU CB C 13 40.140 40.140 41.555 -1.415 19198 4473 1 15 . 1 1 13 13 LEU H H 13 8.172 8.172 8.168 0.004 19198 4474 1 15 . 1 1 14 14 THR N N 14 115.136 115.136 116.058 -0.922 19198 4475 1 15 . 1 1 14 14 THR HA H 14 3.256 3.256 3.840 -0.584 19198 4476 1 15 . 1 1 14 14 THR CA C 14 64.768 64.768 67.346 -2.578 19198 4477 1 15 . 1 1 14 14 THR CB C 14 65.545 65.545 68.715 -3.170 19198 4478 1 15 . 1 1 14 14 THR H H 14 8.166 8.166 8.141 0.025 19198 4479 1 15 . 1 1 15 15 GLU N N 15 120.674 120.674 120.833 -0.159 19198 4480 1 15 . 1 1 15 15 GLU HA H 15 3.857 3.857 4.033 -0.176 19198 4481 1 15 . 1 1 15 15 GLU CA C 15 56.467 56.467 59.294 -2.827 19198 4482 1 15 . 1 1 15 15 GLU CB C 15 26.370 26.370 29.262 -2.892 19198 4483 1 15 . 1 1 15 15 GLU H H 15 7.504 7.504 8.193 -0.689 19198 4484 1 15 . 1 1 16 16 ILE N N 16 119.946 119.946 121.058 -1.112 19198 4485 1 15 . 1 1 16 16 ILE HA H 16 3.602 3.602 3.378 0.224 19198 4486 1 15 . 1 1 16 16 ILE CA C 16 62.428 62.428 65.538 -3.110 19198 4487 1 15 . 1 1 16 16 ILE CB C 16 35.913 35.913 37.536 -1.623 19198 4488 1 15 . 1 1 16 16 ILE H H 16 7.162 7.162 8.311 -1.149 19198 4489 1 15 . 1 1 17 17 VAL N N 17 120.087 120.087 118.820 1.267 19198 4490 1 15 . 1 1 17 17 VAL HA H 17 3.001 3.001 3.243 -0.242 19198 4491 1 15 . 1 1 17 17 VAL CA C 17 64.706 64.706 66.282 -1.576 19198 4492 1 15 . 1 1 17 17 VAL CB C 17 28.391 28.391 31.007 -2.616 19198 4493 1 15 . 1 1 17 17 VAL H H 17 7.539 7.539 7.122 0.417 19198 4494 1 15 . 1 1 18 18 ARG N N 18 121.099 121.099 120.661 0.438 19198 4495 1 15 . 1 1 18 18 ARG HA H 18 3.438 3.438 4.017 -0.579 19198 4496 1 15 . 1 1 18 18 ARG CA C 18 57.834 57.834 60.354 -2.520 19198 4497 1 15 . 1 1 18 18 ARG CB C 18 27.388 27.388 30.028 -2.640 19198 4498 1 15 . 1 1 18 18 ARG H H 18 8.708 8.708 8.607 0.102 19198 4499 1 15 . 1 1 19 19 ASP N N 19 118.955 118.955 117.224 1.731 19198 4500 1 15 . 1 1 19 19 ASP HA H 19 4.215 4.215 4.466 -0.251 19198 4501 1 15 . 1 1 19 19 ASP CA C 19 54.604 54.604 56.851 -2.247 19198 4502 1 15 . 1 1 19 19 ASP CB C 19 37.705 37.705 40.840 -3.135 19198 4503 1 15 . 1 1 19 19 ASP H H 19 8.286 8.286 8.172 0.114 19198 4504 1 15 . 1 1 20 20 HIS N N 20 116.419 116.419 117.477 -1.058 19198 4505 1 15 . 1 1 20 20 HIS HA H 20 4.147 4.147 4.460 -0.313 19198 4506 1 15 . 1 1 20 20 HIS CA C 20 56.243 56.243 57.439 -1.196 19198 4507 1 15 . 1 1 20 20 HIS CB C 20 26.196 26.196 29.971 -3.775 19198 4508 1 15 . 1 1 20 20 HIS H H 20 7.532 7.532 8.116 -0.584 19198 4509 1 15 . 1 1 21 21 PHE N N 21 116.347 116.347 121.214 -4.867 19198 4510 1 15 . 1 1 21 21 PHE HA H 21 4.463 4.463 4.629 -0.166 19198 4511 1 15 . 1 1 21 21 PHE CA C 21 58.279 58.279 58.199 0.080 19198 4512 1 15 . 1 1 21 21 PHE CB C 21 36.780 36.780 39.102 -2.322 19198 4513 1 15 . 1 1 21 21 PHE H H 21 7.983 7.983 8.844 -0.861 19198 4514 1 15 . 1 1 22 22 SER N N 22 116.555 116.555 115.482 1.073 19198 4515 1 15 . 1 1 22 22 SER HA H 22 4.541 4.541 4.237 0.304 19198 4516 1 15 . 1 1 22 22 SER CA C 22 59.013 59.013 60.990 -1.977 19198 4517 1 15 . 1 1 22 22 SER CB C 22 60.225 60.225 62.878 -2.653 19198 4518 1 15 . 1 1 22 22 SER H H 22 8.578 8.578 8.467 0.111 19198 4519 1 15 . 1 1 23 23 ASP N N 23 118.564 118.564 119.206 -0.642 19198 4520 1 15 . 1 1 23 23 ASP HA H 23 4.581 4.581 4.733 -0.152 19198 4521 1 15 . 1 1 23 23 ASP CA C 23 52.796 52.796 55.109 -2.313 19198 4522 1 15 . 1 1 23 23 ASP CB C 23 38.460 38.460 41.630 -3.170 19198 4523 1 15 . 1 1 23 23 ASP H H 23 7.246 7.246 7.880 -0.634 19198 4524 1 15 . 1 1 24 24 MET N N 24 116.378 116.378 118.462 -2.084 19198 4525 1 15 . 1 1 24 24 MET HA H 24 4.207 4.207 4.728 -0.521 19198 4526 1 15 . 1 1 24 24 MET CA C 24 53.696 53.696 55.875 -2.179 19198 4527 1 15 . 1 1 24 24 MET CB C 24 32.101 32.101 33.978 -1.877 19198 4528 1 15 . 1 1 24 24 MET H H 24 7.958 7.958 8.238 -0.280 19198 4529 1 15 . 1 1 25 25 GLY N N 25 107.470 107.470 108.970 -1.500 19198 4530 1 15 . 1 1 25 25 GLY CA C 25 42.230 42.230 44.779 -2.549 19198 4531 1 15 . 1 1 25 25 GLY H H 25 7.475 7.475 7.397 0.078 19198 4532 1 15 . 1 1 26 26 GLU N N 26 117.869 117.869 120.185 -2.316 19198 4533 1 15 . 1 1 26 26 GLU HA H 26 4.452 4.452 4.264 0.188 19198 4534 1 15 . 1 1 26 26 GLU CA C 26 52.851 52.851 54.665 -1.814 19198 4535 1 15 . 1 1 26 26 GLU CB C 26 27.412 27.412 30.719 -3.307 19198 4536 1 15 . 1 1 26 26 GLU H H 26 8.397 8.397 8.215 0.182 19198 4537 1 15 . 1 1 27 27 ILE N N 27 129.460 129.460 124.256 5.204 19198 4538 1 15 . 1 1 27 27 ILE HA H 27 3.206 3.206 3.072 0.134 19198 4539 1 15 . 1 1 27 27 ILE CA C 27 61.133 61.133 62.781 -1.648 19198 4540 1 15 . 1 1 27 27 ILE CB C 27 36.987 36.987 37.706 -0.719 19198 4541 1 15 . 1 1 27 27 ILE H H 27 8.980 8.980 8.309 0.670 19198 4542 1 15 . 1 1 28 28 ALA N N 28 131.875 131.875 131.974 -0.099 19198 4543 1 15 . 1 1 28 28 ALA HA H 28 4.492 4.492 4.329 0.163 19198 4544 1 15 . 1 1 28 28 ALA CA C 28 50.949 50.949 53.922 -2.973 19198 4545 1 15 . 1 1 28 28 ALA CB C 28 17.101 17.101 19.627 -2.526 19198 4546 1 15 . 1 1 28 28 ALA H H 28 9.208 9.208 8.601 0.607 19198 4547 1 15 . 1 1 29 29 THR N N 29 112.070 112.070 115.264 -3.194 19198 4548 1 15 . 1 1 29 29 THR HA H 29 4.346 4.346 4.560 -0.214 19198 4549 1 15 . 1 1 29 29 THR CA C 29 58.963 58.963 61.912 -2.949 19198 4550 1 15 . 1 1 29 29 THR CB C 29 69.475 69.475 69.660 -0.185 19198 4551 1 15 . 1 1 29 29 THR H H 29 7.803 7.803 7.868 -0.065 19198 4552 1 15 . 1 1 30 30 LEU N N 30 129.754 129.754 129.934 -0.180 19198 4553 1 15 . 1 1 30 30 LEU HA H 30 4.878 4.878 4.715 0.163 19198 4554 1 15 . 1 1 30 30 LEU CA C 30 52.316 52.316 54.878 -2.562 19198 4555 1 15 . 1 1 30 30 LEU CB C 30 42.195 42.195 44.159 -1.964 19198 4556 1 15 . 1 1 30 30 LEU H H 30 8.388 8.388 8.771 -0.383 19198 4557 1 15 . 1 1 31 31 TYR N N 31 124.642 124.642 125.236 -0.594 19198 4558 1 15 . 1 1 31 31 TYR HA H 31 5.108 5.108 5.038 0.070 19198 4559 1 15 . 1 1 31 31 TYR CA C 31 52.174 52.174 55.755 -3.580 19198 4560 1 15 . 1 1 31 31 TYR CB C 31 38.406 38.406 39.485 -1.079 19198 4561 1 15 . 1 1 31 31 TYR H H 31 8.837 8.837 8.209 0.628 19198 4562 1 15 . 1 1 32 32 VAL N N 32 121.165 121.165 119.087 2.078 19198 4563 1 15 . 1 1 32 32 VAL HA H 32 4.083 4.083 4.393 -0.310 19198 4564 1 15 . 1 1 32 32 VAL CA C 32 59.645 59.645 59.897 -0.252 19198 4565 1 15 . 1 1 32 32 VAL CB C 32 32.016 32.016 34.147 -2.131 19198 4566 1 15 . 1 1 32 32 VAL H H 32 8.684 8.684 8.310 0.374 19198 4567 1 15 . 1 1 33 33 GLN N N 33 126.911 126.911 127.618 -0.707 19198 4568 1 15 . 1 1 33 33 GLN HA H 33 4.462 4.462 4.290 0.172 19198 4569 1 15 . 1 1 33 33 GLN CA C 33 54.266 54.266 56.108 -1.842 19198 4570 1 15 . 1 1 33 33 GLN CB C 33 28.717 28.717 29.442 -0.725 19198 4571 1 15 . 1 1 33 33 GLN H H 33 9.633 9.633 8.388 1.245 19198 4572 1 15 . 1 1 34 34 VAL N N 34 117.041 117.041 117.276 -0.235 19198 4573 1 15 . 1 1 34 34 VAL HA H 34 4.313 4.313 4.270 0.043 19198 4574 1 15 . 1 1 34 34 VAL CA C 34 59.270 59.270 61.765 -2.495 19198 4575 1 15 . 1 1 34 34 VAL CB C 34 33.725 33.725 33.527 0.198 19198 4576 1 15 . 1 1 34 34 VAL H H 34 7.840 7.840 7.285 0.555 19198 4577 1 15 . 1 1 35 35 TYR N N 35 128.263 128.263 129.515 -1.252 19198 4578 1 15 . 1 1 35 35 TYR HA H 35 5.415 5.415 4.845 0.570 19198 4579 1 15 . 1 1 35 35 TYR CA C 35 52.594 52.594 56.825 -4.231 19198 4580 1 15 . 1 1 35 35 TYR CB C 35 38.583 38.583 39.321 -0.738 19198 4581 1 15 . 1 1 35 35 TYR H H 35 8.580 8.580 8.476 0.104 19198 4582 1 15 . 1 1 36 36 GLU N N 36 129.574 129.574 127.419 2.155 19198 4583 1 15 . 1 1 36 36 GLU HA H 36 4.403 4.403 4.339 0.064 19198 4584 1 15 . 1 1 36 36 GLU CA C 36 51.421 51.421 55.471 -4.050 19198 4585 1 15 . 1 1 36 36 GLU CB C 36 28.035 28.035 29.712 -1.677 19198 4586 1 15 . 1 1 36 36 GLU H H 36 8.118 8.118 8.023 0.095 19198 4587 1 15 . 1 1 37 37 SER N N 37 121.805 121.805 121.541 0.264 19198 4588 1 15 . 1 1 37 37 SER HA H 37 3.754 3.754 4.135 -0.381 19198 4589 1 15 . 1 1 37 37 SER CA C 37 57.817 57.817 60.264 -2.447 19198 4590 1 15 . 1 1 37 37 SER CB C 37 60.041 60.041 63.337 -3.296 19198 4591 1 15 . 1 1 37 37 SER H H 37 8.312 8.312 8.767 -0.455 19198 4592 1 15 . 1 1 38 38 SER N N 38 116.337 116.337 114.685 1.652 19198 4593 1 15 . 1 1 38 38 SER HA H 38 4.214 4.214 4.608 -0.394 19198 4594 1 15 . 1 1 38 38 SER CA C 38 58.237 58.237 58.001 0.236 19198 4595 1 15 . 1 1 38 38 SER CB C 38 60.243 60.243 63.718 -3.475 19198 4596 1 15 . 1 1 38 38 SER H H 38 8.389 8.389 7.972 0.417 19198 4597 1 15 . 1 1 39 39 LEU N N 39 119.070 119.070 120.868 -1.798 19198 4598 1 15 . 1 1 39 39 LEU HA H 39 4.414 4.414 4.566 -0.152 19198 4599 1 15 . 1 1 39 39 LEU CA C 39 51.365 51.365 53.284 -1.919 19198 4600 1 15 . 1 1 39 39 LEU CB C 39 40.504 40.504 44.327 -3.822 19198 4601 1 15 . 1 1 39 39 LEU H H 39 6.905 6.905 7.187 -0.282 19198 4602 1 15 . 1 1 40 40 GLU N N 40 118.837 118.837 120.627 -1.790 19198 4603 1 15 . 1 1 40 40 GLU HA H 40 3.781 3.781 4.598 -0.817 19198 4604 1 15 . 1 1 40 40 GLU CA C 40 54.621 54.621 55.743 -1.122 19198 4605 1 15 . 1 1 40 40 GLU CB C 40 26.307 26.307 29.977 -3.670 19198 4606 1 15 . 1 1 40 40 GLU H H 40 7.814 7.814 8.501 -0.687 19198 4607 1 15 . 1 1 41 41 SER N N 41 110.546 110.546 117.796 -7.250 19198 4608 1 15 . 1 1 41 41 SER HA H 41 5.730 5.730 5.396 0.334 19198 4609 1 15 . 1 1 41 41 SER CA C 41 52.696 52.696 57.178 -4.482 19198 4610 1 15 . 1 1 41 41 SER CB C 41 63.820 63.820 65.576 -1.756 19198 4611 1 15 . 1 1 41 41 SER H H 41 7.452 7.452 8.476 -1.024 19198 4612 1 15 . 1 1 42 42 LEU N N 42 124.649 124.649 128.618 -3.969 19198 4613 1 15 . 1 1 42 42 LEU HA H 42 5.384 5.384 4.837 0.547 19198 4614 1 15 . 1 1 42 42 LEU CA C 42 51.231 51.231 54.224 -2.994 19198 4615 1 15 . 1 1 42 42 LEU CB C 42 46.451 46.451 45.088 1.363 19198 4616 1 15 . 1 1 42 42 LEU H H 42 9.281 9.281 8.396 0.885 19198 4617 1 15 . 1 1 43 43 VAL N N 43 125.093 125.093 124.025 1.068 19198 4618 1 15 . 1 1 43 43 VAL HA H 43 4.629 4.629 4.778 -0.149 19198 4619 1 15 . 1 1 43 43 VAL CA C 43 58.185 58.185 59.915 -1.730 19198 4620 1 15 . 1 1 43 43 VAL CB C 43 33.136 33.136 35.719 -2.583 19198 4621 1 15 . 1 1 43 43 VAL H H 43 8.849 8.849 7.865 0.984 19198 4622 1 15 . 1 1 44 44 GLY N N 44 114.807 114.807 109.058 5.749 19198 4623 1 15 . 1 1 44 44 GLY CA C 44 43.685 43.685 45.278 -1.593 19198 4624 1 15 . 1 1 44 44 GLY H H 44 7.156 7.156 8.741 -1.585 19198 4625 1 15 . 1 1 45 45 GLY N N 45 117.443 117.443 107.633 9.810 19198 4626 1 15 . 1 1 45 45 GLY CA C 45 43.268 43.268 45.137 -1.869 19198 4627 1 15 . 1 1 45 45 GLY H H 45 8.582 8.582 7.666 0.916 19198 4628 1 15 . 1 1 46 46 VAL N N 46 117.075 117.075 116.090 0.985 19198 4629 1 15 . 1 1 46 46 VAL HA H 46 4.726 4.726 5.142 -0.416 19198 4630 1 15 . 1 1 46 46 VAL CA C 46 56.843 56.843 61.156 -4.313 19198 4631 1 15 . 1 1 46 46 VAL CB C 46 33.568 33.568 33.667 -0.099 19198 4632 1 15 . 1 1 46 46 VAL H H 46 8.875 8.875 8.660 0.215 19198 4633 1 15 . 1 1 47 47 ILE N N 47 125.899 125.899 126.274 -0.375 19198 4634 1 15 . 1 1 47 47 ILE HA H 47 4.778 4.778 4.641 0.137 19198 4635 1 15 . 1 1 47 47 ILE CB C 47 37.664 37.664 39.380 -1.716 19198 4636 1 15 . 1 1 47 47 ILE H H 47 8.765 8.765 8.777 -0.012 19198 4637 1 15 . 1 1 48 48 PHE N N 48 126.624 126.624 125.398 1.226 19198 4638 1 15 . 1 1 48 48 PHE HA H 48 4.777 4.777 5.086 -0.309 19198 4639 1 15 . 1 1 48 48 PHE CA C 48 56.162 56.162 55.558 0.604 19198 4640 1 15 . 1 1 48 48 PHE CB C 48 38.742 38.742 42.533 -3.791 19198 4641 1 15 . 1 1 48 48 PHE H H 48 9.269 9.269 8.487 0.782 19198 4642 1 15 . 1 1 49 49 GLU N N 49 123.550 123.550 121.776 1.774 19198 4643 1 15 . 1 1 49 49 GLU HA H 49 4.021 4.021 4.058 -0.037 19198 4644 1 15 . 1 1 49 49 GLU CA C 49 56.574 56.574 59.381 -2.807 19198 4645 1 15 . 1 1 49 49 GLU CB C 49 26.939 26.939 29.865 -2.926 19198 4646 1 15 . 1 1 49 49 GLU H H 49 9.331 9.331 8.329 1.002 19198 4647 1 15 . 1 1 50 50 ASP N N 50 113.383 113.383 117.168 -3.785 19198 4648 1 15 . 1 1 50 50 ASP HA H 50 4.443 4.443 4.804 -0.361 19198 4649 1 15 . 1 1 50 50 ASP CA C 50 51.307 51.307 53.905 -2.598 19198 4650 1 15 . 1 1 50 50 ASP CB C 50 38.062 38.062 40.048 -1.986 19198 4651 1 15 . 1 1 50 50 ASP H H 50 7.674 7.674 8.204 -0.530 19198 4652 1 15 . 1 1 51 51 GLY N N 51 107.745 107.745 108.841 -1.096 19198 4653 1 15 . 1 1 51 51 GLY CA C 51 42.245 42.245 45.466 -3.221 19198 4654 1 15 . 1 1 51 51 GLY H H 51 7.884 7.884 7.888 -0.004 19198 4655 1 15 . 1 1 52 52 ARG N N 52 120.713 120.713 120.660 0.053 19198 4656 1 15 . 1 1 52 52 ARG HA H 52 4.292 4.292 3.827 0.465 19198 4657 1 15 . 1 1 52 52 ARG CA C 52 55.314 55.314 56.315 -1.001 19198 4658 1 15 . 1 1 52 52 ARG CB C 52 29.759 29.759 30.049 -0.290 19198 4659 1 15 . 1 1 52 52 ARG H H 52 7.880 7.880 7.280 0.600 19198 4660 1 15 . 1 1 53 53 HIS N N 53 120.216 120.216 125.085 -4.869 19198 4661 1 15 . 1 1 53 53 HIS HA H 53 5.671 5.671 5.227 0.444 19198 4662 1 15 . 1 1 53 53 HIS CA C 53 50.579 50.579 53.569 -2.990 19198 4663 1 15 . 1 1 53 53 HIS CB C 53 29.165 29.165 31.740 -2.575 19198 4664 1 15 . 1 1 53 53 HIS H H 53 8.961 8.961 8.373 0.588 19198 4665 1 15 . 1 1 54 54 TYR N N 54 121.480 121.480 125.653 -4.173 19198 4666 1 15 . 1 1 54 54 TYR HA H 54 5.574 5.574 4.599 0.975 19198 4667 1 15 . 1 1 54 54 TYR CA C 54 53.397 53.397 55.236 -1.839 19198 4668 1 15 . 1 1 54 54 TYR CB C 54 39.788 39.788 42.073 -2.285 19198 4669 1 15 . 1 1 54 54 TYR H H 54 9.259 9.259 8.599 0.660 19198 4670 1 15 . 1 1 55 55 THR N N 55 113.818 113.818 114.410 -0.592 19198 4671 1 15 . 1 1 55 55 THR HA H 55 5.013 5.013 4.503 0.510 19198 4672 1 15 . 1 1 55 55 THR CA C 55 57.994 57.994 61.183 -3.189 19198 4673 1 15 . 1 1 55 55 THR CB C 55 67.733 67.733 68.606 -0.873 19198 4674 1 15 . 1 1 55 55 THR H H 55 9.242 9.242 8.468 0.774 19198 4675 1 15 . 1 1 56 56 PHE HA H 56 5.987 5.987 4.929 1.058 19198 4676 1 15 . 1 1 56 56 PHE CA C 56 53.946 53.946 57.918 -3.972 19198 4677 1 15 . 1 1 56 56 PHE CB C 56 42.416 42.416 40.192 2.224 19198 4678 1 15 . 1 1 57 57 VAL N N 57 120.407 120.407 120.097 0.310 19198 4679 1 15 . 1 1 57 57 VAL HA H 57 4.683 4.683 4.543 0.140 19198 4680 1 15 . 1 1 57 57 VAL CA C 57 59.696 59.696 61.260 -1.564 19198 4681 1 15 . 1 1 57 57 VAL CB C 57 33.227 33.227 33.907 -0.680 19198 4682 1 15 . 1 1 57 57 VAL H H 57 9.076 9.076 8.300 0.776 19198 4683 1 15 . 1 1 58 58 TYR N N 58 131.325 131.325 130.471 0.854 19198 4684 1 15 . 1 1 58 58 TYR HA H 58 5.504 5.504 5.045 0.459 19198 4685 1 15 . 1 1 58 58 TYR CA C 58 53.883 53.883 56.402 -2.519 19198 4686 1 15 . 1 1 58 58 TYR CB C 58 38.558 38.558 39.033 -0.475 19198 4687 1 15 . 1 1 58 58 TYR H H 58 9.821 9.821 8.928 0.893 19198 4688 1 15 . 1 1 59 59 GLU N N 59 123.904 123.904 127.871 -3.967 19198 4689 1 15 . 1 1 59 59 GLU HA H 59 4.519 4.519 4.508 0.011 19198 4690 1 15 . 1 1 59 59 GLU CA C 59 52.718 52.718 54.842 -2.124 19198 4691 1 15 . 1 1 59 59 GLU CB C 59 29.084 29.084 29.882 -0.798 19198 4692 1 15 . 1 1 59 59 GLU H H 59 8.182 8.182 7.972 0.210 19198 4693 1 15 . 1 1 60 60 ASN N N 60 123.227 123.227 125.275 -2.048 19198 4694 1 15 . 1 1 60 60 ASN HA H 60 4.247 4.247 4.109 0.138 19198 4695 1 15 . 1 1 60 60 ASN CA C 60 51.876 51.876 56.650 -4.774 19198 4696 1 15 . 1 1 60 60 ASN CB C 60 34.949 34.949 37.596 -2.647 19198 4697 1 15 . 1 1 60 60 ASN H H 60 9.566 9.566 8.485 1.081 19198 4698 1 15 . 1 1 61 61 GLU N N 61 107.647 107.647 113.273 -5.626 19198 4699 1 15 . 1 1 61 61 GLU HA H 61 3.500 3.500 4.242 -0.742 19198 4700 1 15 . 1 1 61 61 GLU CA C 61 54.765 54.765 55.737 -0.972 19198 4701 1 15 . 1 1 61 61 GLU CB C 61 25.167 25.167 31.909 -6.742 19198 4702 1 15 . 1 1 61 61 GLU H H 61 8.387 8.387 7.970 0.417 19198 4703 1 15 . 1 1 62 62 ASP N N 62 119.350 119.350 122.769 -3.419 19198 4704 1 15 . 1 1 62 62 ASP HA H 62 4.724 4.724 4.598 0.126 19198 4705 1 15 . 1 1 62 62 ASP CB C 62 41.251 41.251 42.415 -1.164 19198 4706 1 15 . 1 1 62 62 ASP H H 62 7.314 7.314 7.713 -0.399 19198 4707 1 15 . 1 1 63 63 LEU N N 63 123.998 123.998 123.527 0.471 19198 4708 1 15 . 1 1 63 63 LEU HA H 63 5.037 5.037 4.658 0.379 19198 4709 1 15 . 1 1 63 63 LEU CA C 63 51.075 51.075 54.527 -3.452 19198 4710 1 15 . 1 1 63 63 LEU CB C 63 42.312 42.312 42.595 -0.283 19198 4711 1 15 . 1 1 63 63 LEU H H 63 8.226 8.226 8.371 -0.145 19198 4712 1 15 . 1 1 64 64 VAL N N 64 127.167 127.167 125.867 1.300 19198 4713 1 15 . 1 1 64 64 VAL HA H 64 4.361 4.361 4.508 -0.147 19198 4714 1 15 . 1 1 64 64 VAL CA C 64 58.470 58.470 61.004 -2.534 19198 4715 1 15 . 1 1 64 64 VAL CB C 64 31.939 31.939 35.175 -3.236 19198 4716 1 15 . 1 1 64 64 VAL H H 64 8.915 8.915 7.779 1.136 19198 4717 1 15 . 1 1 65 65 TYR N N 65 121.421 121.421 117.454 3.967 19198 4718 1 15 . 1 1 65 65 TYR HA H 65 5.893 5.893 5.412 0.481 19198 4719 1 15 . 1 1 65 65 TYR CA C 65 53.115 53.115 56.673 -3.558 19198 4720 1 15 . 1 1 65 65 TYR CB C 65 39.948 39.948 40.323 -0.375 19198 4721 1 15 . 1 1 65 65 TYR H H 65 8.207 8.207 8.000 0.207 19198 4722 1 15 . 1 1 66 66 GLU N N 66 117.842 117.842 120.265 -2.423 19198 4723 1 15 . 1 1 66 66 GLU HA H 66 4.793 4.793 4.549 0.244 19198 4724 1 15 . 1 1 66 66 GLU CB C 66 30.949 30.949 32.123 -1.174 19198 4725 1 15 . 1 1 66 66 GLU H H 66 8.875 8.875 8.915 -0.040 19198 4726 1 15 . 1 1 67 67 GLU N N 67 125.220 125.220 117.294 7.926 19198 4727 1 15 . 1 1 67 67 GLU HA H 67 4.084 4.084 4.822 -0.738 19198 4728 1 15 . 1 1 67 67 GLU CA C 67 54.157 54.157 56.152 -1.995 19198 4729 1 15 . 1 1 67 67 GLU CB C 67 27.697 27.697 32.798 -5.101 19198 4730 1 15 . 1 1 67 67 GLU H H 67 9.033 9.033 8.345 0.688 19198 4731 1 15 . 1 1 68 68 GLU N N 68 127.058 127.058 125.677 1.381 19198 4732 1 15 . 1 1 68 68 GLU HA H 68 4.358 4.358 4.539 -0.181 19198 4733 1 15 . 1 1 68 68 GLU CA C 68 53.193 53.193 55.779 -2.587 19198 4734 1 15 . 1 1 68 68 GLU CB C 68 28.405 28.405 30.360 -1.955 19198 4735 1 15 . 1 1 68 68 GLU H H 68 8.546 8.546 8.444 0.102 19198 4736 1 15 . 1 1 69 69 VAL N N 69 125.782 125.782 124.239 1.543 19198 4737 1 15 . 1 1 69 69 VAL HA H 69 4.046 4.046 4.255 -0.208 19198 4738 1 15 . 1 1 69 69 VAL CA C 69 59.775 59.775 62.398 -2.623 19198 4739 1 15 . 1 1 69 69 VAL CB C 69 30.174 30.174 32.797 -2.623 19198 4740 1 15 . 1 1 69 69 VAL H H 69 8.422 8.422 8.557 -0.135 19198 4741 1 16 . 1 1 3 3 ASP N N 3 120.996 120.996 121.823 -0.827 19198 4742 1 16 . 1 1 3 3 ASP H H 3 8.416 8.416 8.464 -0.048 19198 4743 1 16 . 1 1 4 4 ARG N N 4 120.957 120.957 120.701 0.256 19198 4744 1 16 . 1 1 4 4 ARG H H 4 8.187 8.187 7.859 0.328 19198 4745 1 16 . 1 1 5 5 LYS N N 5 122.746 122.746 123.053 -0.307 19198 4746 1 16 . 1 1 5 5 LYS HA H 5 4.209 4.209 4.298 -0.089 19198 4747 1 16 . 1 1 5 5 LYS CA C 5 53.562 53.562 56.137 -2.575 19198 4748 1 16 . 1 1 5 5 LYS CB C 5 30.595 30.595 31.415 -0.820 19198 4749 1 16 . 1 1 5 5 LYS H H 5 8.223 8.223 8.236 -0.013 19198 4750 1 16 . 1 1 6 6 LEU N N 6 124.432 124.432 125.196 -0.764 19198 4751 1 16 . 1 1 6 6 LEU HA H 6 4.345 4.345 4.563 -0.218 19198 4752 1 16 . 1 1 6 6 LEU CA C 6 52.051 52.051 53.973 -1.922 19198 4753 1 16 . 1 1 6 6 LEU CB C 6 39.833 39.833 42.892 -3.059 19198 4754 1 16 . 1 1 6 6 LEU H H 6 8.258 8.258 8.035 0.223 19198 4755 1 16 . 1 1 7 7 MET N N 7 122.420 122.420 122.008 0.412 19198 4756 1 16 . 1 1 7 7 MET HA H 7 4.529 4.529 4.652 -0.123 19198 4757 1 16 . 1 1 7 7 MET CA C 7 52.288 52.288 55.369 -3.081 19198 4758 1 16 . 1 1 7 7 MET CB C 7 30.827 30.827 32.854 -2.027 19198 4759 1 16 . 1 1 7 7 MET H H 7 8.284 8.284 8.310 -0.026 19198 4760 1 16 . 1 1 8 8 LYS N N 8 124.204 124.204 119.495 4.709 19198 4761 1 16 . 1 1 8 8 LYS HA H 8 4.461 4.461 4.395 0.066 19198 4762 1 16 . 1 1 8 8 LYS CA C 8 53.986 53.986 56.842 -2.856 19198 4763 1 16 . 1 1 8 8 LYS CB C 8 31.771 31.771 33.019 -1.248 19198 4764 1 16 . 1 1 8 8 LYS H H 8 9.420 9.420 8.367 1.053 19198 4765 1 16 . 1 1 9 9 THR N N 9 113.488 113.488 106.705 6.783 19198 4766 1 16 . 1 1 9 9 THR HA H 9 4.366 4.366 4.826 -0.460 19198 4767 1 16 . 1 1 9 9 THR CA C 9 57.964 57.964 59.530 -1.566 19198 4768 1 16 . 1 1 9 9 THR CB C 9 68.912 68.912 72.098 -3.186 19198 4769 1 16 . 1 1 9 9 THR H H 9 8.817 8.817 7.844 0.973 19198 4770 1 16 . 1 1 10 10 GLN N N 10 121.509 121.509 120.974 0.535 19198 4771 1 16 . 1 1 10 10 GLN HA H 10 3.012 3.012 3.848 -0.836 19198 4772 1 16 . 1 1 10 10 GLN CA C 10 57.666 57.666 59.902 -2.236 19198 4773 1 16 . 1 1 10 10 GLN CB C 10 24.850 24.850 28.119 -3.269 19198 4774 1 16 . 1 1 10 10 GLN H H 10 8.586 8.586 8.777 -0.191 19198 4775 1 16 . 1 1 11 11 GLU N N 11 121.406 121.406 119.390 2.016 19198 4776 1 16 . 1 1 11 11 GLU HA H 11 3.801 3.801 4.024 -0.223 19198 4777 1 16 . 1 1 11 11 GLU CA C 11 57.739 57.739 59.731 -1.992 19198 4778 1 16 . 1 1 11 11 GLU CB C 11 26.332 26.332 29.087 -2.755 19198 4779 1 16 . 1 1 11 11 GLU H H 11 8.998 8.998 8.682 0.316 19198 4780 1 16 . 1 1 12 12 GLU N N 12 120.601 120.601 120.063 0.538 19198 4781 1 16 . 1 1 12 12 GLU HA H 12 3.864 3.864 4.064 -0.200 19198 4782 1 16 . 1 1 12 12 GLU CA C 12 56.542 56.542 59.228 -2.686 19198 4783 1 16 . 1 1 12 12 GLU CB C 12 27.796 27.796 29.679 -1.883 19198 4784 1 16 . 1 1 12 12 GLU H H 12 7.688 7.688 7.664 0.024 19198 4785 1 16 . 1 1 13 13 LEU N N 13 117.867 117.867 119.437 -1.570 19198 4786 1 16 . 1 1 13 13 LEU HA H 13 3.755 3.755 4.104 -0.349 19198 4787 1 16 . 1 1 13 13 LEU CA C 13 54.855 54.855 58.258 -3.403 19198 4788 1 16 . 1 1 13 13 LEU CB C 13 40.140 40.140 41.269 -1.129 19198 4789 1 16 . 1 1 13 13 LEU H H 13 8.172 8.172 8.594 -0.422 19198 4790 1 16 . 1 1 14 14 THR N N 14 115.136 115.136 115.729 -0.593 19198 4791 1 16 . 1 1 14 14 THR HA H 14 3.256 3.256 3.953 -0.697 19198 4792 1 16 . 1 1 14 14 THR CA C 14 64.768 64.768 67.228 -2.460 19198 4793 1 16 . 1 1 14 14 THR CB C 14 65.545 65.545 68.578 -3.033 19198 4794 1 16 . 1 1 14 14 THR H H 14 8.166 8.166 7.755 0.411 19198 4795 1 16 . 1 1 15 15 GLU N N 15 120.674 120.674 121.801 -1.127 19198 4796 1 16 . 1 1 15 15 GLU HA H 15 3.857 3.857 4.012 -0.155 19198 4797 1 16 . 1 1 15 15 GLU CA C 15 56.467 56.467 59.713 -3.246 19198 4798 1 16 . 1 1 15 15 GLU CB C 15 26.370 26.370 29.338 -2.968 19198 4799 1 16 . 1 1 15 15 GLU H H 15 7.504 7.504 8.149 -0.645 19198 4800 1 16 . 1 1 16 16 ILE N N 16 119.946 119.946 120.597 -0.651 19198 4801 1 16 . 1 1 16 16 ILE HA H 16 3.602 3.602 3.643 -0.041 19198 4802 1 16 . 1 1 16 16 ILE CA C 16 62.428 62.428 65.981 -3.554 19198 4803 1 16 . 1 1 16 16 ILE CB C 16 35.913 35.913 37.797 -1.884 19198 4804 1 16 . 1 1 16 16 ILE H H 16 7.162 7.162 8.318 -1.156 19198 4805 1 16 . 1 1 17 17 VAL N N 17 120.087 120.087 118.957 1.130 19198 4806 1 16 . 1 1 17 17 VAL HA H 17 3.001 3.001 3.490 -0.489 19198 4807 1 16 . 1 1 17 17 VAL CA C 17 64.706 64.706 66.540 -1.835 19198 4808 1 16 . 1 1 17 17 VAL CB C 17 28.391 28.391 31.446 -3.055 19198 4809 1 16 . 1 1 17 17 VAL H H 17 7.539 7.539 7.453 0.086 19198 4810 1 16 . 1 1 18 18 ARG N N 18 121.099 121.099 120.804 0.295 19198 4811 1 16 . 1 1 18 18 ARG HA H 18 3.438 3.438 3.944 -0.506 19198 4812 1 16 . 1 1 18 18 ARG CA C 18 57.834 57.834 60.291 -2.457 19198 4813 1 16 . 1 1 18 18 ARG CB C 18 27.388 27.388 30.071 -2.683 19198 4814 1 16 . 1 1 18 18 ARG H H 18 8.708 8.708 8.599 0.109 19198 4815 1 16 . 1 1 19 19 ASP N N 19 118.955 118.955 117.715 1.240 19198 4816 1 16 . 1 1 19 19 ASP HA H 19 4.215 4.215 4.485 -0.270 19198 4817 1 16 . 1 1 19 19 ASP CA C 19 54.604 54.604 56.904 -2.300 19198 4818 1 16 . 1 1 19 19 ASP CB C 19 37.705 37.705 40.885 -3.179 19198 4819 1 16 . 1 1 19 19 ASP H H 19 8.286 8.286 8.363 -0.077 19198 4820 1 16 . 1 1 20 20 HIS N N 20 116.419 116.419 118.675 -2.256 19198 4821 1 16 . 1 1 20 20 HIS HA H 20 4.147 4.147 4.315 -0.168 19198 4822 1 16 . 1 1 20 20 HIS CA C 20 56.243 56.243 59.353 -3.110 19198 4823 1 16 . 1 1 20 20 HIS CB C 20 26.196 26.196 30.266 -4.070 19198 4824 1 16 . 1 1 20 20 HIS H H 20 7.532 7.532 8.257 -0.725 19198 4825 1 16 . 1 1 21 21 PHE N N 21 116.347 116.347 119.841 -3.494 19198 4826 1 16 . 1 1 21 21 PHE HA H 21 4.463 4.463 4.580 -0.117 19198 4827 1 16 . 1 1 21 21 PHE CA C 21 58.279 58.279 58.031 0.248 19198 4828 1 16 . 1 1 21 21 PHE CB C 21 36.780 36.780 38.725 -1.945 19198 4829 1 16 . 1 1 21 21 PHE H H 21 7.983 7.983 8.502 -0.519 19198 4830 1 16 . 1 1 22 22 SER N N 22 116.555 116.555 115.689 0.866 19198 4831 1 16 . 1 1 22 22 SER HA H 22 4.541 4.541 4.153 0.388 19198 4832 1 16 . 1 1 22 22 SER CA C 22 59.013 59.013 61.368 -2.355 19198 4833 1 16 . 1 1 22 22 SER CB C 22 60.225 60.225 62.767 -2.542 19198 4834 1 16 . 1 1 22 22 SER H H 22 8.578 8.578 8.541 0.037 19198 4835 1 16 . 1 1 23 23 ASP N N 23 118.564 118.564 121.855 -3.291 19198 4836 1 16 . 1 1 23 23 ASP HA H 23 4.581 4.581 4.686 -0.105 19198 4837 1 16 . 1 1 23 23 ASP CA C 23 52.796 52.796 55.188 -2.392 19198 4838 1 16 . 1 1 23 23 ASP CB C 23 38.460 38.460 40.612 -2.152 19198 4839 1 16 . 1 1 23 23 ASP H H 23 7.246 7.246 7.871 -0.625 19198 4840 1 16 . 1 1 24 24 MET N N 24 116.378 116.378 116.738 -0.360 19198 4841 1 16 . 1 1 24 24 MET HA H 24 4.207 4.207 4.742 -0.535 19198 4842 1 16 . 1 1 24 24 MET CA C 24 53.696 53.696 55.531 -1.835 19198 4843 1 16 . 1 1 24 24 MET CB C 24 32.101 32.101 34.551 -2.450 19198 4844 1 16 . 1 1 24 24 MET H H 24 7.958 7.958 8.072 -0.114 19198 4845 1 16 . 1 1 25 25 GLY N N 25 107.470 107.470 109.907 -2.437 19198 4846 1 16 . 1 1 25 25 GLY CA C 25 42.230 42.230 44.851 -2.621 19198 4847 1 16 . 1 1 25 25 GLY H H 25 7.475 7.475 7.608 -0.133 19198 4848 1 16 . 1 1 26 26 GLU N N 26 117.869 117.869 121.534 -3.665 19198 4849 1 16 . 1 1 26 26 GLU HA H 26 4.452 4.452 4.475 -0.023 19198 4850 1 16 . 1 1 26 26 GLU CA C 26 52.851 52.851 55.063 -2.212 19198 4851 1 16 . 1 1 26 26 GLU CB C 26 27.412 27.412 30.848 -3.436 19198 4852 1 16 . 1 1 26 26 GLU H H 26 8.397 8.397 8.604 -0.207 19198 4853 1 16 . 1 1 27 27 ILE N N 27 129.460 129.460 124.311 5.149 19198 4854 1 16 . 1 1 27 27 ILE HA H 27 3.206 3.206 2.784 0.422 19198 4855 1 16 . 1 1 27 27 ILE CA C 27 61.133 61.133 61.648 -0.515 19198 4856 1 16 . 1 1 27 27 ILE CB C 27 36.987 36.987 37.301 -0.314 19198 4857 1 16 . 1 1 27 27 ILE H H 27 8.980 8.980 8.384 0.596 19198 4858 1 16 . 1 1 28 28 ALA N N 28 131.875 131.875 131.456 0.419 19198 4859 1 16 . 1 1 28 28 ALA HA H 28 4.492 4.492 4.158 0.334 19198 4860 1 16 . 1 1 28 28 ALA CA C 28 50.949 50.949 53.563 -2.615 19198 4861 1 16 . 1 1 28 28 ALA CB C 28 17.101 17.101 19.832 -2.731 19198 4862 1 16 . 1 1 28 28 ALA H H 28 9.208 9.208 8.418 0.790 19198 4863 1 16 . 1 1 29 29 THR N N 29 112.070 112.070 114.685 -2.615 19198 4864 1 16 . 1 1 29 29 THR HA H 29 4.346 4.346 4.432 -0.086 19198 4865 1 16 . 1 1 29 29 THR CA C 29 58.963 58.963 61.384 -2.421 19198 4866 1 16 . 1 1 29 29 THR CB C 29 69.475 69.475 69.184 0.291 19198 4867 1 16 . 1 1 29 29 THR H H 29 7.803 7.803 8.115 -0.312 19198 4868 1 16 . 1 1 30 30 LEU N N 30 129.754 129.754 129.573 0.181 19198 4869 1 16 . 1 1 30 30 LEU HA H 30 4.878 4.878 4.420 0.458 19198 4870 1 16 . 1 1 30 30 LEU CA C 30 52.316 52.316 55.080 -2.764 19198 4871 1 16 . 1 1 30 30 LEU CB C 30 42.195 42.195 42.872 -0.677 19198 4872 1 16 . 1 1 30 30 LEU H H 30 8.388 8.388 8.682 -0.294 19198 4873 1 16 . 1 1 31 31 TYR N N 31 124.642 124.642 125.187 -0.545 19198 4874 1 16 . 1 1 31 31 TYR HA H 31 5.108 5.108 4.839 0.269 19198 4875 1 16 . 1 1 31 31 TYR CA C 31 52.174 52.174 55.409 -3.235 19198 4876 1 16 . 1 1 31 31 TYR CB C 31 38.406 38.406 39.768 -1.362 19198 4877 1 16 . 1 1 31 31 TYR H H 31 8.837 8.837 8.662 0.175 19198 4878 1 16 . 1 1 32 32 VAL N N 32 121.165 121.165 120.427 0.738 19198 4879 1 16 . 1 1 32 32 VAL HA H 32 4.083 4.083 4.503 -0.420 19198 4880 1 16 . 1 1 32 32 VAL CA C 32 59.645 59.645 60.240 -0.595 19198 4881 1 16 . 1 1 32 32 VAL CB C 32 32.016 32.016 33.956 -1.940 19198 4882 1 16 . 1 1 32 32 VAL H H 32 8.684 8.684 8.257 0.427 19198 4883 1 16 . 1 1 33 33 GLN N N 33 126.911 126.911 127.629 -0.718 19198 4884 1 16 . 1 1 33 33 GLN HA H 33 4.462 4.462 4.352 0.110 19198 4885 1 16 . 1 1 33 33 GLN CA C 33 54.266 54.266 55.932 -1.666 19198 4886 1 16 . 1 1 33 33 GLN CB C 33 28.717 28.717 30.527 -1.810 19198 4887 1 16 . 1 1 33 33 GLN H H 33 9.633 9.633 8.357 1.276 19198 4888 1 16 . 1 1 34 34 VAL N N 34 117.041 117.041 117.462 -0.421 19198 4889 1 16 . 1 1 34 34 VAL HA H 34 4.313 4.313 4.379 -0.066 19198 4890 1 16 . 1 1 34 34 VAL CA C 34 59.270 59.270 61.565 -2.295 19198 4891 1 16 . 1 1 34 34 VAL CB C 34 33.725 33.725 33.617 0.108 19198 4892 1 16 . 1 1 34 34 VAL H H 34 7.840 7.840 7.492 0.348 19198 4893 1 16 . 1 1 35 35 TYR N N 35 128.263 128.263 129.210 -0.947 19198 4894 1 16 . 1 1 35 35 TYR HA H 35 5.415 5.415 5.045 0.370 19198 4895 1 16 . 1 1 35 35 TYR CA C 35 52.594 52.594 56.216 -3.622 19198 4896 1 16 . 1 1 35 35 TYR CB C 35 38.583 38.583 39.843 -1.260 19198 4897 1 16 . 1 1 35 35 TYR H H 35 8.580 8.580 8.552 0.028 19198 4898 1 16 . 1 1 36 36 GLU N N 36 129.574 129.574 127.205 2.369 19198 4899 1 16 . 1 1 36 36 GLU HA H 36 4.403 4.403 4.306 0.097 19198 4900 1 16 . 1 1 36 36 GLU CA C 36 51.421 51.421 55.049 -3.628 19198 4901 1 16 . 1 1 36 36 GLU CB C 36 28.035 28.035 30.108 -2.073 19198 4902 1 16 . 1 1 36 36 GLU H H 36 8.118 8.118 7.835 0.283 19198 4903 1 16 . 1 1 37 37 SER N N 37 121.805 121.805 120.638 1.167 19198 4904 1 16 . 1 1 37 37 SER HA H 37 3.754 3.754 4.144 -0.390 19198 4905 1 16 . 1 1 37 37 SER CA C 37 57.817 57.817 59.454 -1.637 19198 4906 1 16 . 1 1 37 37 SER CB C 37 60.041 60.041 63.554 -3.514 19198 4907 1 16 . 1 1 37 37 SER H H 37 8.312 8.312 8.600 -0.288 19198 4908 1 16 . 1 1 38 38 SER N N 38 116.337 116.337 115.015 1.322 19198 4909 1 16 . 1 1 38 38 SER HA H 38 4.214 4.214 4.546 -0.332 19198 4910 1 16 . 1 1 38 38 SER CA C 38 58.237 58.237 58.511 -0.274 19198 4911 1 16 . 1 1 38 38 SER CB C 38 60.243 60.243 64.088 -3.845 19198 4912 1 16 . 1 1 38 38 SER H H 38 8.389 8.389 7.958 0.431 19198 4913 1 16 . 1 1 39 39 LEU N N 39 119.070 119.070 121.098 -2.028 19198 4914 1 16 . 1 1 39 39 LEU HA H 39 4.414 4.414 4.553 -0.139 19198 4915 1 16 . 1 1 39 39 LEU CA C 39 51.365 51.365 53.093 -1.728 19198 4916 1 16 . 1 1 39 39 LEU CB C 39 40.504 40.504 44.898 -4.394 19198 4917 1 16 . 1 1 39 39 LEU H H 39 6.905 6.905 7.174 -0.269 19198 4918 1 16 . 1 1 40 40 GLU N N 40 118.837 118.837 121.418 -2.581 19198 4919 1 16 . 1 1 40 40 GLU HA H 40 3.781 3.781 4.475 -0.694 19198 4920 1 16 . 1 1 40 40 GLU CA C 40 54.621 54.621 55.970 -1.349 19198 4921 1 16 . 1 1 40 40 GLU CB C 40 26.307 26.307 28.681 -2.374 19198 4922 1 16 . 1 1 40 40 GLU H H 40 7.814 7.814 8.633 -0.819 19198 4923 1 16 . 1 1 41 41 SER N N 41 110.546 110.546 114.709 -4.163 19198 4924 1 16 . 1 1 41 41 SER HA H 41 5.730 5.730 5.087 0.643 19198 4925 1 16 . 1 1 41 41 SER CA C 41 52.696 52.696 56.958 -4.262 19198 4926 1 16 . 1 1 41 41 SER CB C 41 63.820 63.820 66.630 -2.810 19198 4927 1 16 . 1 1 41 41 SER H H 41 7.452 7.452 7.647 -0.195 19198 4928 1 16 . 1 1 42 42 LEU N N 42 124.649 124.649 125.965 -1.316 19198 4929 1 16 . 1 1 42 42 LEU HA H 42 5.384 5.384 4.819 0.565 19198 4930 1 16 . 1 1 42 42 LEU CA C 42 51.231 51.231 54.628 -3.397 19198 4931 1 16 . 1 1 42 42 LEU CB C 42 46.451 46.451 44.886 1.565 19198 4932 1 16 . 1 1 42 42 LEU H H 42 9.281 9.281 8.228 1.053 19198 4933 1 16 . 1 1 43 43 VAL N N 43 125.093 125.093 123.349 1.744 19198 4934 1 16 . 1 1 43 43 VAL HA H 43 4.629 4.629 5.369 -0.740 19198 4935 1 16 . 1 1 43 43 VAL CA C 43 58.185 58.185 59.441 -1.256 19198 4936 1 16 . 1 1 43 43 VAL CB C 43 33.136 33.136 35.684 -2.548 19198 4937 1 16 . 1 1 43 43 VAL H H 43 8.849 8.849 8.776 0.073 19198 4938 1 16 . 1 1 44 44 GLY N N 44 114.807 114.807 109.440 5.367 19198 4939 1 16 . 1 1 44 44 GLY CA C 44 43.685 43.685 45.102 -1.417 19198 4940 1 16 . 1 1 44 44 GLY H H 44 7.156 7.156 8.475 -1.319 19198 4941 1 16 . 1 1 45 45 GLY N N 45 117.443 117.443 108.845 8.598 19198 4942 1 16 . 1 1 45 45 GLY CA C 45 43.268 43.268 45.337 -2.069 19198 4943 1 16 . 1 1 45 45 GLY H H 45 8.582 8.582 7.771 0.811 19198 4944 1 16 . 1 1 46 46 VAL N N 46 117.075 117.075 119.339 -2.264 19198 4945 1 16 . 1 1 46 46 VAL HA H 46 4.726 4.726 4.966 -0.240 19198 4946 1 16 . 1 1 46 46 VAL CA C 46 56.843 56.843 60.569 -3.726 19198 4947 1 16 . 1 1 46 46 VAL CB C 46 33.568 33.568 35.008 -1.440 19198 4948 1 16 . 1 1 46 46 VAL H H 46 8.875 8.875 8.141 0.734 19198 4949 1 16 . 1 1 47 47 ILE N N 47 125.899 125.899 129.184 -3.285 19198 4950 1 16 . 1 1 47 47 ILE HA H 47 4.778 4.778 4.234 0.544 19198 4951 1 16 . 1 1 47 47 ILE CB C 47 37.664 37.664 37.981 -0.317 19198 4952 1 16 . 1 1 47 47 ILE H H 47 8.765 8.765 8.607 0.158 19198 4953 1 16 . 1 1 48 48 PHE N N 48 126.624 126.624 127.844 -1.220 19198 4954 1 16 . 1 1 48 48 PHE HA H 48 4.777 4.777 4.593 0.184 19198 4955 1 16 . 1 1 48 48 PHE CA C 48 56.162 56.162 58.584 -2.422 19198 4956 1 16 . 1 1 48 48 PHE CB C 48 38.742 38.742 39.791 -1.049 19198 4957 1 16 . 1 1 48 48 PHE H H 48 9.269 9.269 8.271 0.998 19198 4958 1 16 . 1 1 49 49 GLU N N 49 123.550 123.550 121.621 1.929 19198 4959 1 16 . 1 1 49 49 GLU HA H 49 4.021 4.021 3.940 0.081 19198 4960 1 16 . 1 1 49 49 GLU CA C 49 56.574 56.574 60.093 -3.519 19198 4961 1 16 . 1 1 49 49 GLU CB C 49 26.939 26.939 29.681 -2.742 19198 4962 1 16 . 1 1 49 49 GLU H H 49 9.331 9.331 8.238 1.093 19198 4963 1 16 . 1 1 50 50 ASP N N 50 113.383 113.383 118.270 -4.887 19198 4964 1 16 . 1 1 50 50 ASP HA H 50 4.443 4.443 4.656 -0.213 19198 4965 1 16 . 1 1 50 50 ASP CA C 50 51.307 51.307 53.318 -2.011 19198 4966 1 16 . 1 1 50 50 ASP CB C 50 38.062 38.062 40.156 -2.094 19198 4967 1 16 . 1 1 50 50 ASP H H 50 7.674 7.674 8.330 -0.656 19198 4968 1 16 . 1 1 51 51 GLY N N 51 107.745 107.745 109.374 -1.629 19198 4969 1 16 . 1 1 51 51 GLY CA C 51 42.245 42.245 45.740 -3.495 19198 4970 1 16 . 1 1 51 51 GLY H H 51 7.884 7.884 7.795 0.089 19198 4971 1 16 . 1 1 52 52 ARG N N 52 120.713 120.713 121.496 -0.783 19198 4972 1 16 . 1 1 52 52 ARG HA H 52 4.292 4.292 4.391 -0.099 19198 4973 1 16 . 1 1 52 52 ARG CA C 52 55.314 55.314 54.940 0.374 19198 4974 1 16 . 1 1 52 52 ARG CB C 52 29.759 29.759 31.116 -1.357 19198 4975 1 16 . 1 1 52 52 ARG H H 52 7.880 7.880 7.926 -0.046 19198 4976 1 16 . 1 1 53 53 HIS N N 53 120.216 120.216 124.682 -4.466 19198 4977 1 16 . 1 1 53 53 HIS HA H 53 5.671 5.671 5.438 0.233 19198 4978 1 16 . 1 1 53 53 HIS CA C 53 50.579 50.579 53.843 -3.264 19198 4979 1 16 . 1 1 53 53 HIS CB C 53 29.165 29.165 31.914 -2.749 19198 4980 1 16 . 1 1 53 53 HIS H H 53 8.961 8.961 8.167 0.794 19198 4981 1 16 . 1 1 54 54 TYR N N 54 121.480 121.480 126.208 -4.728 19198 4982 1 16 . 1 1 54 54 TYR HA H 54 5.574 5.574 5.383 0.191 19198 4983 1 16 . 1 1 54 54 TYR CA C 54 53.397 53.397 56.142 -2.745 19198 4984 1 16 . 1 1 54 54 TYR CB C 54 39.788 39.788 42.186 -2.398 19198 4985 1 16 . 1 1 54 54 TYR H H 54 9.259 9.259 8.673 0.586 19198 4986 1 16 . 1 1 55 55 THR N N 55 113.818 113.818 118.687 -4.869 19198 4987 1 16 . 1 1 55 55 THR HA H 55 5.013 5.013 4.556 0.457 19198 4988 1 16 . 1 1 55 55 THR CA C 55 57.994 57.994 62.080 -4.086 19198 4989 1 16 . 1 1 55 55 THR CB C 55 67.733 67.733 67.440 0.293 19198 4990 1 16 . 1 1 55 55 THR H H 55 9.242 9.242 8.622 0.620 19198 4991 1 16 . 1 1 56 56 PHE HA H 56 5.987 5.987 4.518 1.469 19198 4992 1 16 . 1 1 56 56 PHE CA C 56 53.946 53.946 59.366 -5.420 19198 4993 1 16 . 1 1 56 56 PHE CB C 56 42.416 42.416 39.579 2.837 19198 4994 1 16 . 1 1 57 57 VAL N N 57 120.407 120.407 125.609 -5.202 19198 4995 1 16 . 1 1 57 57 VAL HA H 57 4.683 4.683 4.923 -0.240 19198 4996 1 16 . 1 1 57 57 VAL CA C 57 59.696 59.696 60.200 -0.504 19198 4997 1 16 . 1 1 57 57 VAL CB C 57 33.227 33.227 35.709 -2.482 19198 4998 1 16 . 1 1 57 57 VAL H H 57 9.076 9.076 7.969 1.107 19198 4999 1 16 . 1 1 58 58 TYR N N 58 131.325 131.325 129.713 1.612 19198 5000 1 16 . 1 1 58 58 TYR HA H 58 5.504 5.504 5.569 -0.065 19198 5001 1 16 . 1 1 58 58 TYR CA C 58 53.883 53.883 55.070 -1.187 19198 5002 1 16 . 1 1 58 58 TYR CB C 58 38.558 38.558 41.525 -2.967 19198 5003 1 16 . 1 1 58 58 TYR H H 58 9.821 9.821 8.408 1.413 19198 5004 1 16 . 1 1 59 59 GLU N N 59 123.904 123.904 127.302 -3.398 19198 5005 1 16 . 1 1 59 59 GLU HA H 59 4.519 4.519 4.669 -0.150 19198 5006 1 16 . 1 1 59 59 GLU CA C 59 52.718 52.718 54.478 -1.760 19198 5007 1 16 . 1 1 59 59 GLU CB C 59 29.084 29.084 32.703 -3.619 19198 5008 1 16 . 1 1 59 59 GLU H H 59 8.182 8.182 8.283 -0.101 19198 5009 1 16 . 1 1 60 60 ASN N N 60 123.227 123.227 125.101 -1.874 19198 5010 1 16 . 1 1 60 60 ASN HA H 60 4.247 4.247 4.033 0.214 19198 5011 1 16 . 1 1 60 60 ASN CA C 60 51.876 51.876 56.844 -4.968 19198 5012 1 16 . 1 1 60 60 ASN CB C 60 34.949 34.949 37.897 -2.948 19198 5013 1 16 . 1 1 60 60 ASN H H 60 9.566 9.566 8.987 0.579 19198 5014 1 16 . 1 1 61 61 GLU N N 61 107.647 107.647 113.695 -6.048 19198 5015 1 16 . 1 1 61 61 GLU HA H 61 3.500 3.500 4.530 -1.030 19198 5016 1 16 . 1 1 61 61 GLU CA C 61 54.765 54.765 56.091 -1.326 19198 5017 1 16 . 1 1 61 61 GLU CB C 61 25.167 25.167 32.028 -6.861 19198 5018 1 16 . 1 1 61 61 GLU H H 61 8.387 8.387 8.086 0.301 19198 5019 1 16 . 1 1 62 62 ASP N N 62 119.350 119.350 123.902 -4.552 19198 5020 1 16 . 1 1 62 62 ASP HA H 62 4.724 4.724 4.667 0.057 19198 5021 1 16 . 1 1 62 62 ASP CB C 62 41.251 41.251 41.988 -0.737 19198 5022 1 16 . 1 1 62 62 ASP H H 62 7.314 7.314 8.252 -0.938 19198 5023 1 16 . 1 1 63 63 LEU N N 63 123.998 123.998 125.293 -1.295 19198 5024 1 16 . 1 1 63 63 LEU HA H 63 5.037 5.037 5.093 -0.056 19198 5025 1 16 . 1 1 63 63 LEU CA C 63 51.075 51.075 53.641 -2.566 19198 5026 1 16 . 1 1 63 63 LEU CB C 63 42.312 42.312 43.560 -1.248 19198 5027 1 16 . 1 1 63 63 LEU H H 63 8.226 8.226 8.420 -0.194 19198 5028 1 16 . 1 1 64 64 VAL N N 64 127.167 127.167 127.112 0.055 19198 5029 1 16 . 1 1 64 64 VAL HA H 64 4.361 4.361 4.389 -0.028 19198 5030 1 16 . 1 1 64 64 VAL CA C 64 58.470 58.470 60.084 -1.614 19198 5031 1 16 . 1 1 64 64 VAL CB C 64 31.939 31.939 35.805 -3.866 19198 5032 1 16 . 1 1 64 64 VAL H H 64 8.915 8.915 8.096 0.819 19198 5033 1 16 . 1 1 65 65 TYR N N 65 121.421 121.421 121.806 -0.385 19198 5034 1 16 . 1 1 65 65 TYR HA H 65 5.893 5.893 5.325 0.568 19198 5035 1 16 . 1 1 65 65 TYR CA C 65 53.115 53.115 56.101 -2.986 19198 5036 1 16 . 1 1 65 65 TYR CB C 65 39.948 39.948 40.441 -0.493 19198 5037 1 16 . 1 1 65 65 TYR H H 65 8.207 8.207 7.982 0.225 19198 5038 1 16 . 1 1 66 66 GLU N N 66 117.842 117.842 119.522 -1.680 19198 5039 1 16 . 1 1 66 66 GLU HA H 66 4.793 4.793 4.694 0.099 19198 5040 1 16 . 1 1 66 66 GLU CB C 66 30.949 30.949 33.443 -2.494 19198 5041 1 16 . 1 1 66 66 GLU H H 66 8.875 8.875 9.032 -0.157 19198 5042 1 16 . 1 1 67 67 GLU N N 67 125.220 125.220 121.474 3.746 19198 5043 1 16 . 1 1 67 67 GLU HA H 67 4.084 4.084 4.596 -0.512 19198 5044 1 16 . 1 1 67 67 GLU CA C 67 54.157 54.157 56.813 -2.656 19198 5045 1 16 . 1 1 67 67 GLU CB C 67 27.697 27.697 30.868 -3.171 19198 5046 1 16 . 1 1 67 67 GLU H H 67 9.033 9.033 8.792 0.241 19198 5047 1 16 . 1 1 68 68 GLU N N 68 127.058 127.058 125.718 1.340 19198 5048 1 16 . 1 1 68 68 GLU HA H 68 4.358 4.358 4.436 -0.078 19198 5049 1 16 . 1 1 68 68 GLU CA C 68 53.193 53.193 55.777 -2.584 19198 5050 1 16 . 1 1 68 68 GLU CB C 68 28.405 28.405 29.553 -1.148 19198 5051 1 16 . 1 1 68 68 GLU H H 68 8.546 8.546 8.234 0.312 19198 5052 1 16 . 1 1 69 69 VAL N N 69 125.782 125.782 121.413 4.369 19198 5053 1 16 . 1 1 69 69 VAL HA H 69 4.046 4.046 4.493 -0.447 19198 5054 1 16 . 1 1 69 69 VAL CA C 69 59.775 59.775 61.484 -1.709 19198 5055 1 16 . 1 1 69 69 VAL CB C 69 30.174 30.174 31.319 -1.145 19198 5056 1 16 . 1 1 69 69 VAL H H 69 8.422 8.422 8.500 -0.078 19198 5057 1 17 . 1 1 3 3 ASP N N 3 120.996 120.996 116.963 4.033 19198 5058 1 17 . 1 1 3 3 ASP H H 3 8.416 8.416 8.165 0.251 19198 5059 1 17 . 1 1 4 4 ARG N N 4 120.957 120.957 120.748 0.209 19198 5060 1 17 . 1 1 4 4 ARG H H 4 8.187 8.187 8.035 0.152 19198 5061 1 17 . 1 1 5 5 LYS N N 5 122.746 122.746 123.049 -0.303 19198 5062 1 17 . 1 1 5 5 LYS HA H 5 4.209 4.209 4.475 -0.266 19198 5063 1 17 . 1 1 5 5 LYS CA C 5 53.562 53.562 56.367 -2.805 19198 5064 1 17 . 1 1 5 5 LYS CB C 5 30.595 30.595 33.854 -3.259 19198 5065 1 17 . 1 1 5 5 LYS H H 5 8.223 8.223 8.147 0.076 19198 5066 1 17 . 1 1 6 6 LEU N N 6 124.432 124.432 125.671 -1.239 19198 5067 1 17 . 1 1 6 6 LEU HA H 6 4.345 4.345 4.755 -0.410 19198 5068 1 17 . 1 1 6 6 LEU CA C 6 52.051 52.051 54.227 -2.176 19198 5069 1 17 . 1 1 6 6 LEU CB C 6 39.833 39.833 43.283 -3.450 19198 5070 1 17 . 1 1 6 6 LEU H H 6 8.258 8.258 8.362 -0.104 19198 5071 1 17 . 1 1 7 7 MET N N 7 122.420 122.420 119.903 2.517 19198 5072 1 17 . 1 1 7 7 MET HA H 7 4.529 4.529 4.710 -0.181 19198 5073 1 17 . 1 1 7 7 MET CA C 7 52.288 52.288 55.362 -3.074 19198 5074 1 17 . 1 1 7 7 MET CB C 7 30.827 30.827 33.285 -2.458 19198 5075 1 17 . 1 1 7 7 MET H H 7 8.284 8.284 8.239 0.045 19198 5076 1 17 . 1 1 8 8 LYS N N 8 124.204 124.204 121.141 3.063 19198 5077 1 17 . 1 1 8 8 LYS HA H 8 4.461 4.461 4.258 0.203 19198 5078 1 17 . 1 1 8 8 LYS CA C 8 53.986 53.986 56.784 -2.798 19198 5079 1 17 . 1 1 8 8 LYS CB C 8 31.771 31.771 32.892 -1.121 19198 5080 1 17 . 1 1 8 8 LYS H H 8 9.420 9.420 8.465 0.955 19198 5081 1 17 . 1 1 9 9 THR N N 9 113.488 113.488 108.171 5.317 19198 5082 1 17 . 1 1 9 9 THR HA H 9 4.366 4.366 4.769 -0.403 19198 5083 1 17 . 1 1 9 9 THR CA C 9 57.964 57.964 59.605 -1.641 19198 5084 1 17 . 1 1 9 9 THR CB C 9 68.912 68.912 71.728 -2.816 19198 5085 1 17 . 1 1 9 9 THR H H 9 8.817 8.817 7.950 0.867 19198 5086 1 17 . 1 1 10 10 GLN N N 10 121.509 121.509 121.084 0.425 19198 5087 1 17 . 1 1 10 10 GLN HA H 10 3.012 3.012 3.423 -0.411 19198 5088 1 17 . 1 1 10 10 GLN CA C 10 57.666 57.666 59.839 -2.173 19198 5089 1 17 . 1 1 10 10 GLN CB C 10 24.850 24.850 27.899 -3.049 19198 5090 1 17 . 1 1 10 10 GLN H H 10 8.586 8.586 8.475 0.111 19198 5091 1 17 . 1 1 11 11 GLU N N 11 121.406 121.406 119.170 2.236 19198 5092 1 17 . 1 1 11 11 GLU HA H 11 3.801 3.801 3.949 -0.148 19198 5093 1 17 . 1 1 11 11 GLU CA C 11 57.739 57.739 59.608 -1.869 19198 5094 1 17 . 1 1 11 11 GLU CB C 11 26.332 26.332 29.123 -2.791 19198 5095 1 17 . 1 1 11 11 GLU H H 11 8.998 8.998 8.497 0.501 19198 5096 1 17 . 1 1 12 12 GLU N N 12 120.601 120.601 119.831 0.770 19198 5097 1 17 . 1 1 12 12 GLU HA H 12 3.864 3.864 3.960 -0.096 19198 5098 1 17 . 1 1 12 12 GLU CA C 12 56.542 56.542 59.575 -3.033 19198 5099 1 17 . 1 1 12 12 GLU CB C 12 27.796 27.796 29.532 -1.736 19198 5100 1 17 . 1 1 12 12 GLU H H 12 7.688 7.688 7.566 0.122 19198 5101 1 17 . 1 1 13 13 LEU N N 13 117.867 117.867 118.516 -0.649 19198 5102 1 17 . 1 1 13 13 LEU HA H 13 3.755 3.755 4.018 -0.263 19198 5103 1 17 . 1 1 13 13 LEU CA C 13 54.855 54.855 56.949 -2.094 19198 5104 1 17 . 1 1 13 13 LEU CB C 13 40.140 40.140 40.514 -0.374 19198 5105 1 17 . 1 1 13 13 LEU H H 13 8.172 8.172 8.231 -0.059 19198 5106 1 17 . 1 1 14 14 THR N N 14 115.136 115.136 116.546 -1.410 19198 5107 1 17 . 1 1 14 14 THR HA H 14 3.256 3.256 3.933 -0.677 19198 5108 1 17 . 1 1 14 14 THR CA C 14 64.768 64.768 67.379 -2.611 19198 5109 1 17 . 1 1 14 14 THR CB C 14 65.545 65.545 68.757 -3.212 19198 5110 1 17 . 1 1 14 14 THR H H 14 8.166 8.166 7.964 0.202 19198 5111 1 17 . 1 1 15 15 GLU N N 15 120.674 120.674 121.333 -0.659 19198 5112 1 17 . 1 1 15 15 GLU HA H 15 3.857 3.857 4.009 -0.152 19198 5113 1 17 . 1 1 15 15 GLU CA C 15 56.467 56.467 59.382 -2.915 19198 5114 1 17 . 1 1 15 15 GLU CB C 15 26.370 26.370 29.083 -2.713 19198 5115 1 17 . 1 1 15 15 GLU H H 15 7.504 7.504 8.361 -0.857 19198 5116 1 17 . 1 1 16 16 ILE N N 16 119.946 119.946 119.457 0.489 19198 5117 1 17 . 1 1 16 16 ILE HA H 16 3.602 3.602 3.710 -0.108 19198 5118 1 17 . 1 1 16 16 ILE CA C 16 62.428 62.428 65.181 -2.753 19198 5119 1 17 . 1 1 16 16 ILE CB C 16 35.913 35.913 37.861 -1.948 19198 5120 1 17 . 1 1 16 16 ILE H H 16 7.162 7.162 8.492 -1.330 19198 5121 1 17 . 1 1 17 17 VAL N N 17 120.087 120.087 116.315 3.772 19198 5122 1 17 . 1 1 17 17 VAL HA H 17 3.001 3.001 3.786 -0.785 19198 5123 1 17 . 1 1 17 17 VAL CA C 17 64.706 64.706 64.889 -0.183 19198 5124 1 17 . 1 1 17 17 VAL CB C 17 28.391 28.391 31.029 -2.639 19198 5125 1 17 . 1 1 17 17 VAL H H 17 7.539 7.539 7.237 0.302 19198 5126 1 17 . 1 1 18 18 ARG N N 18 121.099 121.099 121.835 -0.736 19198 5127 1 17 . 1 1 18 18 ARG HA H 18 3.438 3.438 4.110 -0.672 19198 5128 1 17 . 1 1 18 18 ARG CA C 18 57.834 57.834 60.492 -2.658 19198 5129 1 17 . 1 1 18 18 ARG CB C 18 27.388 27.388 30.180 -2.792 19198 5130 1 17 . 1 1 18 18 ARG H H 18 8.708 8.708 8.514 0.194 19198 5131 1 17 . 1 1 19 19 ASP N N 19 118.955 118.955 114.462 4.493 19198 5132 1 17 . 1 1 19 19 ASP HA H 19 4.215 4.215 4.597 -0.382 19198 5133 1 17 . 1 1 19 19 ASP CA C 19 54.604 54.604 54.713 -0.109 19198 5134 1 17 . 1 1 19 19 ASP CB C 19 37.705 37.705 40.494 -2.789 19198 5135 1 17 . 1 1 19 19 ASP H H 19 8.286 8.286 8.223 0.063 19198 5136 1 17 . 1 1 20 20 HIS N N 20 116.419 116.419 116.710 -0.291 19198 5137 1 17 . 1 1 20 20 HIS HA H 20 4.147 4.147 4.681 -0.534 19198 5138 1 17 . 1 1 20 20 HIS CA C 20 56.243 56.243 57.481 -1.238 19198 5139 1 17 . 1 1 20 20 HIS CB C 20 26.196 26.196 32.574 -6.378 19198 5140 1 17 . 1 1 20 20 HIS H H 20 7.532 7.532 7.560 -0.028 19198 5141 1 17 . 1 1 21 21 PHE N N 21 116.347 116.347 122.571 -6.224 19198 5142 1 17 . 1 1 21 21 PHE HA H 21 4.463 4.463 4.724 -0.261 19198 5143 1 17 . 1 1 21 21 PHE CA C 21 58.279 58.279 58.367 -0.088 19198 5144 1 17 . 1 1 21 21 PHE CB C 21 36.780 36.780 39.794 -3.014 19198 5145 1 17 . 1 1 21 21 PHE H H 21 7.983 7.983 8.947 -0.964 19198 5146 1 17 . 1 1 22 22 SER N N 22 116.555 116.555 115.361 1.194 19198 5147 1 17 . 1 1 22 22 SER HA H 22 4.541 4.541 4.356 0.185 19198 5148 1 17 . 1 1 22 22 SER CA C 22 59.013 59.013 60.138 -1.125 19198 5149 1 17 . 1 1 22 22 SER CB C 22 60.225 60.225 62.974 -2.749 19198 5150 1 17 . 1 1 22 22 SER H H 22 8.578 8.578 7.966 0.612 19198 5151 1 17 . 1 1 23 23 ASP N N 23 118.564 118.564 121.363 -2.799 19198 5152 1 17 . 1 1 23 23 ASP HA H 23 4.581 4.581 4.612 -0.031 19198 5153 1 17 . 1 1 23 23 ASP CA C 23 52.796 52.796 55.902 -3.106 19198 5154 1 17 . 1 1 23 23 ASP CB C 23 38.460 38.460 41.289 -2.829 19198 5155 1 17 . 1 1 23 23 ASP H H 23 7.246 7.246 7.860 -0.614 19198 5156 1 17 . 1 1 24 24 MET N N 24 116.378 116.378 115.215 1.163 19198 5157 1 17 . 1 1 24 24 MET HA H 24 4.207 4.207 4.655 -0.448 19198 5158 1 17 . 1 1 24 24 MET CA C 24 53.696 53.696 54.816 -1.120 19198 5159 1 17 . 1 1 24 24 MET CB C 24 32.101 32.101 34.960 -2.859 19198 5160 1 17 . 1 1 24 24 MET H H 24 7.958 7.958 7.649 0.309 19198 5161 1 17 . 1 1 25 25 GLY N N 25 107.470 107.470 106.643 0.827 19198 5162 1 17 . 1 1 25 25 GLY CA C 25 42.230 42.230 45.114 -2.884 19198 5163 1 17 . 1 1 25 25 GLY H H 25 7.475 7.475 7.173 0.302 19198 5164 1 17 . 1 1 26 26 GLU N N 26 117.869 117.869 120.313 -2.444 19198 5165 1 17 . 1 1 26 26 GLU HA H 26 4.452 4.452 4.222 0.230 19198 5166 1 17 . 1 1 26 26 GLU CA C 26 52.851 52.851 55.210 -2.359 19198 5167 1 17 . 1 1 26 26 GLU CB C 26 27.412 27.412 29.866 -2.454 19198 5168 1 17 . 1 1 26 26 GLU H H 26 8.397 8.397 8.072 0.325 19198 5169 1 17 . 1 1 27 27 ILE N N 27 129.460 129.460 123.978 5.482 19198 5170 1 17 . 1 1 27 27 ILE HA H 27 3.206 3.206 3.474 -0.268 19198 5171 1 17 . 1 1 27 27 ILE CA C 27 61.133 61.133 62.607 -1.474 19198 5172 1 17 . 1 1 27 27 ILE CB C 27 36.987 36.987 37.975 -0.988 19198 5173 1 17 . 1 1 27 27 ILE H H 27 8.980 8.980 8.086 0.894 19198 5174 1 17 . 1 1 28 28 ALA N N 28 131.875 131.875 130.968 0.907 19198 5175 1 17 . 1 1 28 28 ALA HA H 28 4.492 4.492 4.375 0.117 19198 5176 1 17 . 1 1 28 28 ALA CA C 28 50.949 50.949 53.199 -2.250 19198 5177 1 17 . 1 1 28 28 ALA CB C 28 17.101 17.101 19.994 -2.893 19198 5178 1 17 . 1 1 28 28 ALA H H 28 9.208 9.208 8.942 0.266 19198 5179 1 17 . 1 1 29 29 THR N N 29 112.070 112.070 116.428 -4.358 19198 5180 1 17 . 1 1 29 29 THR HA H 29 4.346 4.346 4.469 -0.123 19198 5181 1 17 . 1 1 29 29 THR CA C 29 58.963 58.963 61.811 -2.848 19198 5182 1 17 . 1 1 29 29 THR CB C 29 69.475 69.475 68.165 1.310 19198 5183 1 17 . 1 1 29 29 THR H H 29 7.803 7.803 8.004 -0.201 19198 5184 1 17 . 1 1 30 30 LEU N N 30 129.754 129.754 130.244 -0.490 19198 5185 1 17 . 1 1 30 30 LEU HA H 30 4.878 4.878 4.534 0.344 19198 5186 1 17 . 1 1 30 30 LEU CA C 30 52.316 52.316 55.335 -3.019 19198 5187 1 17 . 1 1 30 30 LEU CB C 30 42.195 42.195 43.298 -1.103 19198 5188 1 17 . 1 1 30 30 LEU H H 30 8.388 8.388 8.655 -0.267 19198 5189 1 17 . 1 1 31 31 TYR N N 31 124.642 124.642 122.926 1.716 19198 5190 1 17 . 1 1 31 31 TYR HA H 31 5.108 5.108 4.791 0.317 19198 5191 1 17 . 1 1 31 31 TYR CA C 31 52.174 52.174 54.804 -2.630 19198 5192 1 17 . 1 1 31 31 TYR CB C 31 38.406 38.406 39.934 -1.528 19198 5193 1 17 . 1 1 31 31 TYR H H 31 8.837 8.837 8.275 0.562 19198 5194 1 17 . 1 1 32 32 VAL N N 32 121.165 121.165 120.594 0.571 19198 5195 1 17 . 1 1 32 32 VAL HA H 32 4.083 4.083 4.279 -0.196 19198 5196 1 17 . 1 1 32 32 VAL CA C 32 59.645 59.645 60.934 -1.289 19198 5197 1 17 . 1 1 32 32 VAL CB C 32 32.016 32.016 32.976 -0.960 19198 5198 1 17 . 1 1 32 32 VAL H H 32 8.684 8.684 8.556 0.128 19198 5199 1 17 . 1 1 33 33 GLN N N 33 126.911 126.911 127.593 -0.682 19198 5200 1 17 . 1 1 33 33 GLN HA H 33 4.462 4.462 4.143 0.319 19198 5201 1 17 . 1 1 33 33 GLN CA C 33 54.266 54.266 57.104 -2.838 19198 5202 1 17 . 1 1 33 33 GLN CB C 33 28.717 28.717 29.265 -0.548 19198 5203 1 17 . 1 1 33 33 GLN H H 33 9.633 9.633 8.377 1.256 19198 5204 1 17 . 1 1 34 34 VAL N N 34 117.041 117.041 114.212 2.829 19198 5205 1 17 . 1 1 34 34 VAL HA H 34 4.313 4.313 4.346 -0.033 19198 5206 1 17 . 1 1 34 34 VAL CA C 34 59.270 59.270 60.959 -1.690 19198 5207 1 17 . 1 1 34 34 VAL CB C 34 33.725 33.725 32.758 0.967 19198 5208 1 17 . 1 1 34 34 VAL H H 34 7.840 7.840 7.390 0.450 19198 5209 1 17 . 1 1 35 35 TYR N N 35 128.263 128.263 127.991 0.272 19198 5210 1 17 . 1 1 35 35 TYR HA H 35 5.415 5.415 4.623 0.792 19198 5211 1 17 . 1 1 35 35 TYR CA C 35 52.594 52.594 56.706 -4.112 19198 5212 1 17 . 1 1 35 35 TYR CB C 35 38.583 38.583 39.459 -0.876 19198 5213 1 17 . 1 1 35 35 TYR H H 35 8.580 8.580 8.522 0.058 19198 5214 1 17 . 1 1 36 36 GLU N N 36 129.574 129.574 127.242 2.332 19198 5215 1 17 . 1 1 36 36 GLU HA H 36 4.403 4.403 4.289 0.114 19198 5216 1 17 . 1 1 36 36 GLU CA C 36 51.421 51.421 55.712 -4.291 19198 5217 1 17 . 1 1 36 36 GLU CB C 36 28.035 28.035 29.825 -1.790 19198 5218 1 17 . 1 1 36 36 GLU H H 36 8.118 8.118 8.258 -0.140 19198 5219 1 17 . 1 1 37 37 SER N N 37 121.805 121.805 119.996 1.809 19198 5220 1 17 . 1 1 37 37 SER HA H 37 3.754 3.754 3.888 -0.134 19198 5221 1 17 . 1 1 37 37 SER CA C 37 57.817 57.817 59.620 -1.803 19198 5222 1 17 . 1 1 37 37 SER CB C 37 60.041 60.041 63.295 -3.254 19198 5223 1 17 . 1 1 37 37 SER H H 37 8.312 8.312 8.664 -0.352 19198 5224 1 17 . 1 1 38 38 SER N N 38 116.337 116.337 115.513 0.824 19198 5225 1 17 . 1 1 38 38 SER HA H 38 4.214 4.214 4.560 -0.346 19198 5226 1 17 . 1 1 38 38 SER CA C 38 58.237 58.237 58.857 -0.620 19198 5227 1 17 . 1 1 38 38 SER CB C 38 60.243 60.243 64.856 -4.613 19198 5228 1 17 . 1 1 38 38 SER H H 38 8.389 8.389 7.555 0.834 19198 5229 1 17 . 1 1 39 39 LEU N N 39 119.070 119.070 119.312 -0.242 19198 5230 1 17 . 1 1 39 39 LEU HA H 39 4.414 4.414 4.488 -0.074 19198 5231 1 17 . 1 1 39 39 LEU CA C 39 51.365 51.365 53.480 -2.115 19198 5232 1 17 . 1 1 39 39 LEU CB C 39 40.504 40.504 45.197 -4.693 19198 5233 1 17 . 1 1 39 39 LEU H H 39 6.905 6.905 7.197 -0.292 19198 5234 1 17 . 1 1 40 40 GLU N N 40 118.837 118.837 120.584 -1.747 19198 5235 1 17 . 1 1 40 40 GLU HA H 40 3.781 3.781 4.671 -0.890 19198 5236 1 17 . 1 1 40 40 GLU CA C 40 54.621 54.621 55.921 -1.300 19198 5237 1 17 . 1 1 40 40 GLU CB C 40 26.307 26.307 28.746 -2.439 19198 5238 1 17 . 1 1 40 40 GLU H H 40 7.814 7.814 8.749 -0.935 19198 5239 1 17 . 1 1 41 41 SER N N 41 110.546 110.546 115.454 -4.908 19198 5240 1 17 . 1 1 41 41 SER HA H 41 5.730 5.730 4.942 0.788 19198 5241 1 17 . 1 1 41 41 SER CA C 41 52.696 52.696 57.128 -4.432 19198 5242 1 17 . 1 1 41 41 SER CB C 41 63.820 63.820 65.256 -1.436 19198 5243 1 17 . 1 1 41 41 SER H H 41 7.452 7.452 7.847 -0.395 19198 5244 1 17 . 1 1 42 42 LEU N N 42 124.649 124.649 125.291 -0.642 19198 5245 1 17 . 1 1 42 42 LEU HA H 42 5.384 5.384 4.782 0.602 19198 5246 1 17 . 1 1 42 42 LEU CA C 42 51.231 51.231 54.637 -3.406 19198 5247 1 17 . 1 1 42 42 LEU CB C 42 46.451 46.451 45.146 1.305 19198 5248 1 17 . 1 1 42 42 LEU H H 42 9.281 9.281 8.510 0.771 19198 5249 1 17 . 1 1 43 43 VAL N N 43 125.093 125.093 124.208 0.885 19198 5250 1 17 . 1 1 43 43 VAL HA H 43 4.629 4.629 5.009 -0.380 19198 5251 1 17 . 1 1 43 43 VAL CA C 43 58.185 58.185 60.408 -2.223 19198 5252 1 17 . 1 1 43 43 VAL CB C 43 33.136 33.136 35.788 -2.652 19198 5253 1 17 . 1 1 43 43 VAL H H 43 8.849 8.849 8.141 0.708 19198 5254 1 17 . 1 1 44 44 GLY N N 44 114.807 114.807 113.192 1.615 19198 5255 1 17 . 1 1 44 44 GLY CA C 44 43.685 43.685 45.068 -1.383 19198 5256 1 17 . 1 1 44 44 GLY H H 44 7.156 7.156 8.515 -1.359 19198 5257 1 17 . 1 1 45 45 GLY N N 45 117.443 117.443 111.230 6.213 19198 5258 1 17 . 1 1 45 45 GLY CA C 45 43.268 43.268 45.762 -2.494 19198 5259 1 17 . 1 1 45 45 GLY H H 45 8.582 8.582 8.488 0.094 19198 5260 1 17 . 1 1 46 46 VAL N N 46 117.075 117.075 118.999 -1.924 19198 5261 1 17 . 1 1 46 46 VAL HA H 46 4.726 4.726 5.024 -0.298 19198 5262 1 17 . 1 1 46 46 VAL CA C 46 56.843 56.843 59.423 -2.580 19198 5263 1 17 . 1 1 46 46 VAL CB C 46 33.568 33.568 34.279 -0.711 19198 5264 1 17 . 1 1 46 46 VAL H H 46 8.875 8.875 8.397 0.478 19198 5265 1 17 . 1 1 47 47 ILE N N 47 125.899 125.899 121.057 4.842 19198 5266 1 17 . 1 1 47 47 ILE HA H 47 4.778 4.778 4.427 0.351 19198 5267 1 17 . 1 1 47 47 ILE CB C 47 37.664 37.664 39.879 -2.215 19198 5268 1 17 . 1 1 47 47 ILE H H 47 8.765 8.765 8.309 0.456 19198 5269 1 17 . 1 1 48 48 PHE N N 48 126.624 126.624 126.591 0.033 19198 5270 1 17 . 1 1 48 48 PHE HA H 48 4.777 4.777 4.897 -0.120 19198 5271 1 17 . 1 1 48 48 PHE CA C 48 56.162 56.162 56.572 -0.409 19198 5272 1 17 . 1 1 48 48 PHE CB C 48 38.742 38.742 40.100 -1.359 19198 5273 1 17 . 1 1 48 48 PHE H H 48 9.269 9.269 8.435 0.834 19198 5274 1 17 . 1 1 49 49 GLU N N 49 123.550 123.550 121.440 2.110 19198 5275 1 17 . 1 1 49 49 GLU HA H 49 4.021 4.021 4.098 -0.077 19198 5276 1 17 . 1 1 49 49 GLU CA C 49 56.574 56.574 58.911 -2.337 19198 5277 1 17 . 1 1 49 49 GLU CB C 49 26.939 26.939 29.776 -2.837 19198 5278 1 17 . 1 1 49 49 GLU H H 49 9.331 9.331 8.306 1.025 19198 5279 1 17 . 1 1 50 50 ASP N N 50 113.383 113.383 116.994 -3.611 19198 5280 1 17 . 1 1 50 50 ASP HA H 50 4.443 4.443 4.738 -0.295 19198 5281 1 17 . 1 1 50 50 ASP CA C 50 51.307 51.307 53.934 -2.627 19198 5282 1 17 . 1 1 50 50 ASP CB C 50 38.062 38.062 40.463 -2.401 19198 5283 1 17 . 1 1 50 50 ASP H H 50 7.674 7.674 8.356 -0.682 19198 5284 1 17 . 1 1 51 51 GLY N N 51 107.745 107.745 107.584 0.161 19198 5285 1 17 . 1 1 51 51 GLY CA C 51 42.245 42.245 45.435 -3.190 19198 5286 1 17 . 1 1 51 51 GLY H H 51 7.884 7.884 7.528 0.356 19198 5287 1 17 . 1 1 52 52 ARG N N 52 120.713 120.713 119.634 1.079 19198 5288 1 17 . 1 1 52 52 ARG HA H 52 4.292 4.292 4.213 0.079 19198 5289 1 17 . 1 1 52 52 ARG CA C 52 55.314 55.314 54.182 1.132 19198 5290 1 17 . 1 1 52 52 ARG CB C 52 29.759 29.759 29.567 0.192 19198 5291 1 17 . 1 1 52 52 ARG H H 52 7.880 7.880 7.964 -0.084 19198 5292 1 17 . 1 1 53 53 HIS N N 53 120.216 120.216 125.903 -5.687 19198 5293 1 17 . 1 1 53 53 HIS HA H 53 5.671 5.671 4.946 0.725 19198 5294 1 17 . 1 1 53 53 HIS CA C 53 50.579 50.579 54.745 -4.166 19198 5295 1 17 . 1 1 53 53 HIS CB C 53 29.165 29.165 30.917 -1.752 19198 5296 1 17 . 1 1 53 53 HIS H H 53 8.961 8.961 8.755 0.206 19198 5297 1 17 . 1 1 54 54 TYR N N 54 121.480 121.480 127.114 -5.634 19198 5298 1 17 . 1 1 54 54 TYR HA H 54 5.574 5.574 4.938 0.636 19198 5299 1 17 . 1 1 54 54 TYR CA C 54 53.397 53.397 55.177 -1.780 19198 5300 1 17 . 1 1 54 54 TYR CB C 54 39.788 39.788 41.506 -1.718 19198 5301 1 17 . 1 1 54 54 TYR H H 54 9.259 9.259 9.223 0.036 19198 5302 1 17 . 1 1 55 55 THR N N 55 113.818 113.818 114.576 -0.758 19198 5303 1 17 . 1 1 55 55 THR HA H 55 5.013 5.013 4.249 0.764 19198 5304 1 17 . 1 1 55 55 THR CA C 55 57.994 57.994 62.527 -4.533 19198 5305 1 17 . 1 1 55 55 THR CB C 55 67.733 67.733 69.568 -1.835 19198 5306 1 17 . 1 1 55 55 THR H H 55 9.242 9.242 8.349 0.893 19198 5307 1 17 . 1 1 56 56 PHE HA H 56 5.987 5.987 4.749 1.238 19198 5308 1 17 . 1 1 56 56 PHE CA C 56 53.946 53.946 56.263 -2.317 19198 5309 1 17 . 1 1 56 56 PHE CB C 56 42.416 42.416 42.215 0.201 19198 5310 1 17 . 1 1 57 57 VAL N N 57 120.407 120.407 127.171 -6.764 19198 5311 1 17 . 1 1 57 57 VAL HA H 57 4.683 4.683 4.551 0.132 19198 5312 1 17 . 1 1 57 57 VAL CA C 57 59.696 59.696 60.531 -0.835 19198 5313 1 17 . 1 1 57 57 VAL CB C 57 33.227 33.227 35.003 -1.776 19198 5314 1 17 . 1 1 57 57 VAL H H 57 9.076 9.076 8.353 0.723 19198 5315 1 17 . 1 1 58 58 TYR N N 58 131.325 131.325 129.552 1.773 19198 5316 1 17 . 1 1 58 58 TYR HA H 58 5.504 5.504 5.458 0.046 19198 5317 1 17 . 1 1 58 58 TYR CA C 58 53.883 53.883 55.778 -1.895 19198 5318 1 17 . 1 1 58 58 TYR CB C 58 38.558 38.558 41.825 -3.267 19198 5319 1 17 . 1 1 58 58 TYR H H 58 9.821 9.821 8.584 1.237 19198 5320 1 17 . 1 1 59 59 GLU N N 59 123.904 123.904 126.475 -2.571 19198 5321 1 17 . 1 1 59 59 GLU HA H 59 4.519 4.519 4.546 -0.027 19198 5322 1 17 . 1 1 59 59 GLU CA C 59 52.718 52.718 55.239 -2.521 19198 5323 1 17 . 1 1 59 59 GLU CB C 59 29.084 29.084 32.190 -3.106 19198 5324 1 17 . 1 1 59 59 GLU H H 59 8.182 8.182 8.194 -0.012 19198 5325 1 17 . 1 1 60 60 ASN N N 60 123.227 123.227 126.583 -3.356 19198 5326 1 17 . 1 1 60 60 ASN HA H 60 4.247 4.247 4.238 0.009 19198 5327 1 17 . 1 1 60 60 ASN CA C 60 51.876 51.876 57.038 -5.162 19198 5328 1 17 . 1 1 60 60 ASN CB C 60 34.949 34.949 37.898 -2.950 19198 5329 1 17 . 1 1 60 60 ASN H H 60 9.566 9.566 8.769 0.797 19198 5330 1 17 . 1 1 61 61 GLU N N 61 107.647 107.647 112.959 -5.312 19198 5331 1 17 . 1 1 61 61 GLU HA H 61 3.500 3.500 4.516 -1.016 19198 5332 1 17 . 1 1 61 61 GLU CA C 61 54.765 54.765 55.824 -1.059 19198 5333 1 17 . 1 1 61 61 GLU CB C 61 25.167 25.167 31.944 -6.777 19198 5334 1 17 . 1 1 61 61 GLU H H 61 8.387 8.387 8.062 0.325 19198 5335 1 17 . 1 1 62 62 ASP N N 62 119.350 119.350 121.325 -1.975 19198 5336 1 17 . 1 1 62 62 ASP HA H 62 4.724 4.724 4.750 -0.026 19198 5337 1 17 . 1 1 62 62 ASP CB C 62 41.251 41.251 43.556 -2.305 19198 5338 1 17 . 1 1 62 62 ASP H H 62 7.314 7.314 7.773 -0.459 19198 5339 1 17 . 1 1 63 63 LEU N N 63 123.998 123.998 124.245 -0.247 19198 5340 1 17 . 1 1 63 63 LEU HA H 63 5.037 5.037 5.332 -0.295 19198 5341 1 17 . 1 1 63 63 LEU CA C 63 51.075 51.075 53.899 -2.824 19198 5342 1 17 . 1 1 63 63 LEU CB C 63 42.312 42.312 44.741 -2.429 19198 5343 1 17 . 1 1 63 63 LEU H H 63 8.226 8.226 8.329 -0.103 19198 5344 1 17 . 1 1 64 64 VAL N N 64 127.167 127.167 125.543 1.624 19198 5345 1 17 . 1 1 64 64 VAL HA H 64 4.361 4.361 4.263 0.098 19198 5346 1 17 . 1 1 64 64 VAL CA C 64 58.470 58.470 60.583 -2.113 19198 5347 1 17 . 1 1 64 64 VAL CB C 64 31.939 31.939 35.198 -3.259 19198 5348 1 17 . 1 1 64 64 VAL H H 64 8.915 8.915 8.782 0.133 19198 5349 1 17 . 1 1 65 65 TYR N N 65 121.421 121.421 118.808 2.613 19198 5350 1 17 . 1 1 65 65 TYR HA H 65 5.893 5.893 5.234 0.659 19198 5351 1 17 . 1 1 65 65 TYR CA C 65 53.115 53.115 56.683 -3.568 19198 5352 1 17 . 1 1 65 65 TYR CB C 65 39.948 39.948 40.525 -0.577 19198 5353 1 17 . 1 1 65 65 TYR H H 65 8.207 8.207 7.633 0.574 19198 5354 1 17 . 1 1 66 66 GLU N N 66 117.842 117.842 121.644 -3.802 19198 5355 1 17 . 1 1 66 66 GLU HA H 66 4.793 4.793 4.387 0.406 19198 5356 1 17 . 1 1 66 66 GLU CB C 66 30.949 30.949 31.568 -0.619 19198 5357 1 17 . 1 1 66 66 GLU H H 66 8.875 8.875 8.990 -0.115 19198 5358 1 17 . 1 1 67 67 GLU N N 67 125.220 125.220 119.083 6.137 19198 5359 1 17 . 1 1 67 67 GLU HA H 67 4.084 4.084 4.878 -0.794 19198 5360 1 17 . 1 1 67 67 GLU CA C 67 54.157 54.157 55.998 -1.841 19198 5361 1 17 . 1 1 67 67 GLU CB C 67 27.697 27.697 32.176 -4.479 19198 5362 1 17 . 1 1 67 67 GLU H H 67 9.033 9.033 7.884 1.149 19198 5363 1 17 . 1 1 68 68 GLU N N 68 127.058 127.058 125.659 1.399 19198 5364 1 17 . 1 1 68 68 GLU HA H 68 4.358 4.358 4.306 0.052 19198 5365 1 17 . 1 1 68 68 GLU CA C 68 53.193 53.193 55.535 -2.342 19198 5366 1 17 . 1 1 68 68 GLU CB C 68 28.405 28.405 28.832 -0.427 19198 5367 1 17 . 1 1 68 68 GLU H H 68 8.546 8.546 8.517 0.029 19198 5368 1 17 . 1 1 69 69 VAL N N 69 125.782 125.782 121.333 4.449 19198 5369 1 17 . 1 1 69 69 VAL HA H 69 4.046 4.046 3.887 0.159 19198 5370 1 17 . 1 1 69 69 VAL CA C 69 59.775 59.775 63.508 -3.733 19198 5371 1 17 . 1 1 69 69 VAL CB C 69 30.174 30.174 31.917 -1.743 19198 5372 1 17 . 1 1 69 69 VAL H H 69 8.422 8.422 7.549 0.873 19198 5373 1 18 . 1 1 3 3 ASP N N 3 120.996 120.996 119.065 1.931 19198 5374 1 18 . 1 1 3 3 ASP H H 3 8.416 8.416 8.371 0.045 19198 5375 1 18 . 1 1 4 4 ARG N N 4 120.957 120.957 121.185 -0.228 19198 5376 1 18 . 1 1 4 4 ARG H H 4 8.187 8.187 8.404 -0.217 19198 5377 1 18 . 1 1 5 5 LYS N N 5 122.746 122.746 122.046 0.700 19198 5378 1 18 . 1 1 5 5 LYS HA H 5 4.209 4.209 4.471 -0.262 19198 5379 1 18 . 1 1 5 5 LYS CA C 5 53.562 53.562 56.035 -2.473 19198 5380 1 18 . 1 1 5 5 LYS CB C 5 30.595 30.595 32.131 -1.536 19198 5381 1 18 . 1 1 5 5 LYS H H 5 8.223 8.223 8.025 0.198 19198 5382 1 18 . 1 1 6 6 LEU N N 6 124.432 124.432 122.846 1.586 19198 5383 1 18 . 1 1 6 6 LEU HA H 6 4.345 4.345 4.749 -0.404 19198 5384 1 18 . 1 1 6 6 LEU CA C 6 52.051 52.051 54.345 -2.294 19198 5385 1 18 . 1 1 6 6 LEU CB C 6 39.833 39.833 43.089 -3.256 19198 5386 1 18 . 1 1 6 6 LEU H H 6 8.258 8.258 8.493 -0.235 19198 5387 1 18 . 1 1 7 7 MET N N 7 122.420 122.420 120.448 1.972 19198 5388 1 18 . 1 1 7 7 MET HA H 7 4.529 4.529 4.747 -0.218 19198 5389 1 18 . 1 1 7 7 MET CA C 7 52.288 52.288 54.297 -2.009 19198 5390 1 18 . 1 1 7 7 MET CB C 7 30.827 30.827 34.394 -3.567 19198 5391 1 18 . 1 1 7 7 MET H H 7 8.284 8.284 8.192 0.092 19198 5392 1 18 . 1 1 8 8 LYS N N 8 124.204 124.204 122.665 1.539 19198 5393 1 18 . 1 1 8 8 LYS HA H 8 4.461 4.461 4.556 -0.095 19198 5394 1 18 . 1 1 8 8 LYS CA C 8 53.986 53.986 56.232 -2.246 19198 5395 1 18 . 1 1 8 8 LYS CB C 8 31.771 31.771 33.059 -1.288 19198 5396 1 18 . 1 1 8 8 LYS H H 8 9.420 9.420 8.598 0.822 19198 5397 1 18 . 1 1 9 9 THR N N 9 113.488 113.488 108.671 4.817 19198 5398 1 18 . 1 1 9 9 THR HA H 9 4.366 4.366 4.830 -0.464 19198 5399 1 18 . 1 1 9 9 THR CA C 9 57.964 57.964 60.232 -2.268 19198 5400 1 18 . 1 1 9 9 THR CB C 9 68.912 68.912 72.359 -3.447 19198 5401 1 18 . 1 1 9 9 THR H H 9 8.817 8.817 7.902 0.915 19198 5402 1 18 . 1 1 10 10 GLN N N 10 121.509 121.509 121.389 0.120 19198 5403 1 18 . 1 1 10 10 GLN HA H 10 3.012 3.012 3.499 -0.487 19198 5404 1 18 . 1 1 10 10 GLN CA C 10 57.666 57.666 60.016 -2.350 19198 5405 1 18 . 1 1 10 10 GLN CB C 10 24.850 24.850 28.158 -3.308 19198 5406 1 18 . 1 1 10 10 GLN H H 10 8.586 8.586 8.569 0.017 19198 5407 1 18 . 1 1 11 11 GLU N N 11 121.406 121.406 119.325 2.081 19198 5408 1 18 . 1 1 11 11 GLU HA H 11 3.801 3.801 3.939 -0.138 19198 5409 1 18 . 1 1 11 11 GLU CA C 11 57.739 57.739 59.854 -2.115 19198 5410 1 18 . 1 1 11 11 GLU CB C 11 26.332 26.332 29.188 -2.856 19198 5411 1 18 . 1 1 11 11 GLU H H 11 8.998 8.998 8.485 0.513 19198 5412 1 18 . 1 1 12 12 GLU N N 12 120.601 120.601 119.871 0.730 19198 5413 1 18 . 1 1 12 12 GLU HA H 12 3.864 3.864 4.046 -0.182 19198 5414 1 18 . 1 1 12 12 GLU CA C 12 56.542 56.542 59.611 -3.069 19198 5415 1 18 . 1 1 12 12 GLU CB C 12 27.796 27.796 29.676 -1.880 19198 5416 1 18 . 1 1 12 12 GLU H H 12 7.688 7.688 7.660 0.028 19198 5417 1 18 . 1 1 13 13 LEU N N 13 117.867 117.867 119.049 -1.182 19198 5418 1 18 . 1 1 13 13 LEU HA H 13 3.755 3.755 4.076 -0.321 19198 5419 1 18 . 1 1 13 13 LEU CA C 13 54.855 54.855 58.072 -3.217 19198 5420 1 18 . 1 1 13 13 LEU CB C 13 40.140 40.140 41.916 -1.776 19198 5421 1 18 . 1 1 13 13 LEU H H 13 8.172 8.172 8.610 -0.438 19198 5422 1 18 . 1 1 14 14 THR N N 14 115.136 115.136 114.957 0.179 19198 5423 1 18 . 1 1 14 14 THR HA H 14 3.256 3.256 4.038 -0.782 19198 5424 1 18 . 1 1 14 14 THR CA C 14 64.768 64.768 66.682 -1.914 19198 5425 1 18 . 1 1 14 14 THR CB C 14 65.545 65.545 68.280 -2.735 19198 5426 1 18 . 1 1 14 14 THR H H 14 8.166 8.166 7.928 0.238 19198 5427 1 18 . 1 1 15 15 GLU N N 15 120.674 120.674 122.435 -1.761 19198 5428 1 18 . 1 1 15 15 GLU HA H 15 3.857 3.857 4.063 -0.206 19198 5429 1 18 . 1 1 15 15 GLU CA C 15 56.467 56.467 59.477 -3.010 19198 5430 1 18 . 1 1 15 15 GLU CB C 15 26.370 26.370 29.111 -2.741 19198 5431 1 18 . 1 1 15 15 GLU H H 15 7.504 7.504 8.177 -0.673 19198 5432 1 18 . 1 1 16 16 ILE N N 16 119.946 119.946 119.823 0.123 19198 5433 1 18 . 1 1 16 16 ILE HA H 16 3.602 3.602 3.661 -0.059 19198 5434 1 18 . 1 1 16 16 ILE CA C 16 62.428 62.428 65.578 -3.150 19198 5435 1 18 . 1 1 16 16 ILE CB C 16 35.913 35.913 37.788 -1.875 19198 5436 1 18 . 1 1 16 16 ILE H H 16 7.162 7.162 8.415 -1.253 19198 5437 1 18 . 1 1 17 17 VAL N N 17 120.087 120.087 117.918 2.169 19198 5438 1 18 . 1 1 17 17 VAL HA H 17 3.001 3.001 3.624 -0.623 19198 5439 1 18 . 1 1 17 17 VAL CA C 17 64.706 64.706 65.792 -1.086 19198 5440 1 18 . 1 1 17 17 VAL CB C 17 28.391 28.391 31.707 -3.316 19198 5441 1 18 . 1 1 17 17 VAL H H 17 7.539 7.539 7.431 0.108 19198 5442 1 18 . 1 1 18 18 ARG N N 18 121.099 121.099 120.833 0.266 19198 5443 1 18 . 1 1 18 18 ARG HA H 18 3.438 3.438 4.049 -0.611 19198 5444 1 18 . 1 1 18 18 ARG CA C 18 57.834 57.834 59.902 -2.068 19198 5445 1 18 . 1 1 18 18 ARG CB C 18 27.388 27.388 30.288 -2.900 19198 5446 1 18 . 1 1 18 18 ARG H H 18 8.708 8.708 8.291 0.417 19198 5447 1 18 . 1 1 19 19 ASP N N 19 118.955 118.955 117.280 1.675 19198 5448 1 18 . 1 1 19 19 ASP HA H 19 4.215 4.215 4.506 -0.291 19198 5449 1 18 . 1 1 19 19 ASP CA C 19 54.604 54.604 56.598 -1.994 19198 5450 1 18 . 1 1 19 19 ASP CB C 19 37.705 37.705 40.781 -3.076 19198 5451 1 18 . 1 1 19 19 ASP H H 19 8.286 8.286 8.594 -0.308 19198 5452 1 18 . 1 1 20 20 HIS N N 20 116.419 116.419 114.759 1.660 19198 5453 1 18 . 1 1 20 20 HIS HA H 20 4.147 4.147 4.548 -0.401 19198 5454 1 18 . 1 1 20 20 HIS CA C 20 56.243 56.243 57.734 -1.491 19198 5455 1 18 . 1 1 20 20 HIS CB C 20 26.196 26.196 31.600 -5.404 19198 5456 1 18 . 1 1 20 20 HIS H H 20 7.532 7.532 7.907 -0.375 19198 5457 1 18 . 1 1 21 21 PHE N N 21 116.347 116.347 120.285 -3.938 19198 5458 1 18 . 1 1 21 21 PHE HA H 21 4.463 4.463 4.773 -0.310 19198 5459 1 18 . 1 1 21 21 PHE CA C 21 58.279 58.279 57.484 0.795 19198 5460 1 18 . 1 1 21 21 PHE CB C 21 36.780 36.780 39.890 -3.110 19198 5461 1 18 . 1 1 21 21 PHE H H 21 7.983 7.983 8.124 -0.141 19198 5462 1 18 . 1 1 22 22 SER N N 22 116.555 116.555 117.150 -0.595 19198 5463 1 18 . 1 1 22 22 SER HA H 22 4.541 4.541 4.195 0.346 19198 5464 1 18 . 1 1 22 22 SER CA C 22 59.013 59.013 61.655 -2.642 19198 5465 1 18 . 1 1 22 22 SER CB C 22 60.225 60.225 62.812 -2.587 19198 5466 1 18 . 1 1 22 22 SER H H 22 8.578 8.578 8.292 0.286 19198 5467 1 18 . 1 1 23 23 ASP N N 23 118.564 118.564 119.667 -1.103 19198 5468 1 18 . 1 1 23 23 ASP HA H 23 4.581 4.581 4.666 -0.085 19198 5469 1 18 . 1 1 23 23 ASP CA C 23 52.796 52.796 56.015 -3.219 19198 5470 1 18 . 1 1 23 23 ASP CB C 23 38.460 38.460 41.285 -2.825 19198 5471 1 18 . 1 1 23 23 ASP H H 23 7.246 7.246 8.662 -1.416 19198 5472 1 18 . 1 1 24 24 MET N N 24 116.378 116.378 118.338 -1.960 19198 5473 1 18 . 1 1 24 24 MET HA H 24 4.207 4.207 4.587 -0.380 19198 5474 1 18 . 1 1 24 24 MET CA C 24 53.696 53.696 55.678 -1.982 19198 5475 1 18 . 1 1 24 24 MET CB C 24 32.101 32.101 33.733 -1.632 19198 5476 1 18 . 1 1 24 24 MET H H 24 7.958 7.958 7.958 0.000 19198 5477 1 18 . 1 1 25 25 GLY N N 25 107.470 107.470 107.342 0.128 19198 5478 1 18 . 1 1 25 25 GLY CA C 25 42.230 42.230 44.842 -2.612 19198 5479 1 18 . 1 1 25 25 GLY H H 25 7.475 7.475 7.503 -0.028 19198 5480 1 18 . 1 1 26 26 GLU N N 26 117.869 117.869 121.118 -3.249 19198 5481 1 18 . 1 1 26 26 GLU HA H 26 4.452 4.452 4.306 0.146 19198 5482 1 18 . 1 1 26 26 GLU CA C 26 52.851 52.851 54.352 -1.501 19198 5483 1 18 . 1 1 26 26 GLU CB C 26 27.412 27.412 29.666 -2.254 19198 5484 1 18 . 1 1 26 26 GLU H H 26 8.397 8.397 7.423 0.974 19198 5485 1 18 . 1 1 27 27 ILE N N 27 129.460 129.460 123.633 5.827 19198 5486 1 18 . 1 1 27 27 ILE HA H 27 3.206 3.206 3.793 -0.587 19198 5487 1 18 . 1 1 27 27 ILE CA C 27 61.133 61.133 62.283 -1.150 19198 5488 1 18 . 1 1 27 27 ILE CB C 27 36.987 36.987 37.297 -0.310 19198 5489 1 18 . 1 1 27 27 ILE H H 27 8.980 8.980 8.264 0.716 19198 5490 1 18 . 1 1 28 28 ALA N N 28 131.875 131.875 131.351 0.524 19198 5491 1 18 . 1 1 28 28 ALA HA H 28 4.492 4.492 4.201 0.291 19198 5492 1 18 . 1 1 28 28 ALA CA C 28 50.949 50.949 53.864 -2.915 19198 5493 1 18 . 1 1 28 28 ALA CB C 28 17.101 17.101 19.715 -2.614 19198 5494 1 18 . 1 1 28 28 ALA H H 28 9.208 9.208 8.786 0.422 19198 5495 1 18 . 1 1 29 29 THR N N 29 112.070 112.070 114.895 -2.825 19198 5496 1 18 . 1 1 29 29 THR HA H 29 4.346 4.346 4.405 -0.059 19198 5497 1 18 . 1 1 29 29 THR CA C 29 58.963 58.963 61.895 -2.932 19198 5498 1 18 . 1 1 29 29 THR CB C 29 69.475 69.475 69.913 -0.438 19198 5499 1 18 . 1 1 29 29 THR H H 29 7.803 7.803 7.809 -0.006 19198 5500 1 18 . 1 1 30 30 LEU N N 30 129.754 129.754 129.534 0.220 19198 5501 1 18 . 1 1 30 30 LEU HA H 30 4.878 4.878 4.648 0.230 19198 5502 1 18 . 1 1 30 30 LEU CA C 30 52.316 52.316 54.288 -1.972 19198 5503 1 18 . 1 1 30 30 LEU CB C 30 42.195 42.195 42.525 -0.330 19198 5504 1 18 . 1 1 30 30 LEU H H 30 8.388 8.388 8.634 -0.246 19198 5505 1 18 . 1 1 31 31 TYR N N 31 124.642 124.642 125.383 -0.741 19198 5506 1 18 . 1 1 31 31 TYR HA H 31 5.108 5.108 4.837 0.271 19198 5507 1 18 . 1 1 31 31 TYR CA C 31 52.174 52.174 55.623 -3.449 19198 5508 1 18 . 1 1 31 31 TYR CB C 31 38.406 38.406 39.441 -1.035 19198 5509 1 18 . 1 1 31 31 TYR H H 31 8.837 8.837 8.716 0.121 19198 5510 1 18 . 1 1 32 32 VAL N N 32 121.165 121.165 120.714 0.451 19198 5511 1 18 . 1 1 32 32 VAL HA H 32 4.083 4.083 4.550 -0.467 19198 5512 1 18 . 1 1 32 32 VAL CA C 32 59.645 59.645 61.257 -1.612 19198 5513 1 18 . 1 1 32 32 VAL CB C 32 32.016 32.016 34.049 -2.033 19198 5514 1 18 . 1 1 32 32 VAL H H 32 8.684 8.684 8.276 0.408 19198 5515 1 18 . 1 1 33 33 GLN N N 33 126.911 126.911 122.725 4.186 19198 5516 1 18 . 1 1 33 33 GLN HA H 33 4.462 4.462 4.376 0.086 19198 5517 1 18 . 1 1 33 33 GLN CA C 33 54.266 54.266 55.854 -1.588 19198 5518 1 18 . 1 1 33 33 GLN CB C 33 28.717 28.717 30.080 -1.363 19198 5519 1 18 . 1 1 33 33 GLN H H 33 9.633 9.633 8.539 1.094 19198 5520 1 18 . 1 1 34 34 VAL N N 34 117.041 117.041 119.677 -2.636 19198 5521 1 18 . 1 1 34 34 VAL HA H 34 4.313 4.313 4.294 0.019 19198 5522 1 18 . 1 1 34 34 VAL CA C 34 59.270 59.270 61.473 -2.203 19198 5523 1 18 . 1 1 34 34 VAL CB C 34 33.725 33.725 32.753 0.972 19198 5524 1 18 . 1 1 34 34 VAL H H 34 7.840 7.840 7.369 0.471 19198 5525 1 18 . 1 1 35 35 TYR N N 35 128.263 128.263 129.467 -1.204 19198 5526 1 18 . 1 1 35 35 TYR HA H 35 5.415 5.415 4.740 0.675 19198 5527 1 18 . 1 1 35 35 TYR CA C 35 52.594 52.594 55.343 -2.749 19198 5528 1 18 . 1 1 35 35 TYR CB C 35 38.583 38.583 38.006 0.577 19198 5529 1 18 . 1 1 35 35 TYR H H 35 8.580 8.580 8.647 -0.067 19198 5530 1 18 . 1 1 36 36 GLU N N 36 129.574 129.574 127.708 1.866 19198 5531 1 18 . 1 1 36 36 GLU HA H 36 4.403 4.403 4.287 0.116 19198 5532 1 18 . 1 1 36 36 GLU CA C 36 51.421 51.421 55.773 -4.352 19198 5533 1 18 . 1 1 36 36 GLU CB C 36 28.035 28.035 30.367 -2.332 19198 5534 1 18 . 1 1 36 36 GLU H H 36 8.118 8.118 8.132 -0.014 19198 5535 1 18 . 1 1 37 37 SER N N 37 121.805 121.805 119.786 2.019 19198 5536 1 18 . 1 1 37 37 SER HA H 37 3.754 3.754 4.498 -0.744 19198 5537 1 18 . 1 1 37 37 SER CA C 37 57.817 57.817 58.395 -0.578 19198 5538 1 18 . 1 1 37 37 SER CB C 37 60.041 60.041 63.757 -3.716 19198 5539 1 18 . 1 1 37 37 SER H H 37 8.312 8.312 8.556 -0.243 19198 5540 1 18 . 1 1 38 38 SER N N 38 116.337 116.337 116.135 0.202 19198 5541 1 18 . 1 1 38 38 SER HA H 38 4.214 4.214 4.455 -0.241 19198 5542 1 18 . 1 1 38 38 SER CA C 38 58.237 58.237 58.625 -0.388 19198 5543 1 18 . 1 1 38 38 SER CB C 38 60.243 60.243 63.431 -3.188 19198 5544 1 18 . 1 1 38 38 SER H H 38 8.389 8.389 7.995 0.394 19198 5545 1 18 . 1 1 39 39 LEU N N 39 119.070 119.070 119.539 -0.469 19198 5546 1 18 . 1 1 39 39 LEU HA H 39 4.414 4.414 4.503 -0.089 19198 5547 1 18 . 1 1 39 39 LEU CA C 39 51.365 51.365 53.908 -2.543 19198 5548 1 18 . 1 1 39 39 LEU CB C 39 40.504 40.504 45.974 -5.470 19198 5549 1 18 . 1 1 39 39 LEU H H 39 6.905 6.905 7.242 -0.337 19198 5550 1 18 . 1 1 40 40 GLU N N 40 118.837 118.837 119.309 -0.472 19198 5551 1 18 . 1 1 40 40 GLU HA H 40 3.781 3.781 4.710 -0.929 19198 5552 1 18 . 1 1 40 40 GLU CA C 40 54.621 54.621 55.712 -1.091 19198 5553 1 18 . 1 1 40 40 GLU CB C 40 26.307 26.307 30.066 -3.759 19198 5554 1 18 . 1 1 40 40 GLU H H 40 7.814 7.814 8.561 -0.747 19198 5555 1 18 . 1 1 41 41 SER N N 41 110.546 110.546 117.666 -7.120 19198 5556 1 18 . 1 1 41 41 SER HA H 41 5.730 5.730 5.164 0.566 19198 5557 1 18 . 1 1 41 41 SER CA C 41 52.696 52.696 56.958 -4.262 19198 5558 1 18 . 1 1 41 41 SER CB C 41 63.820 63.820 65.823 -2.003 19198 5559 1 18 . 1 1 41 41 SER H H 41 7.452 7.452 8.609 -1.157 19198 5560 1 18 . 1 1 42 42 LEU N N 42 124.649 124.649 126.267 -1.618 19198 5561 1 18 . 1 1 42 42 LEU HA H 42 5.384 5.384 5.046 0.338 19198 5562 1 18 . 1 1 42 42 LEU CA C 42 51.231 51.231 54.488 -3.257 19198 5563 1 18 . 1 1 42 42 LEU CB C 42 46.451 46.451 45.861 0.590 19198 5564 1 18 . 1 1 42 42 LEU H H 42 9.281 9.281 8.222 1.059 19198 5565 1 18 . 1 1 43 43 VAL N N 43 125.093 125.093 124.268 0.825 19198 5566 1 18 . 1 1 43 43 VAL HA H 43 4.629 4.629 5.449 -0.820 19198 5567 1 18 . 1 1 43 43 VAL CA C 43 58.185 58.185 59.241 -1.056 19198 5568 1 18 . 1 1 43 43 VAL CB C 43 33.136 33.136 36.175 -3.039 19198 5569 1 18 . 1 1 43 43 VAL H H 43 8.849 8.849 8.022 0.827 19198 5570 1 18 . 1 1 44 44 GLY N N 44 114.807 114.807 108.788 6.019 19198 5571 1 18 . 1 1 44 44 GLY CA C 44 43.685 43.685 45.650 -1.964 19198 5572 1 18 . 1 1 44 44 GLY H H 44 7.156 7.156 8.320 -1.164 19198 5573 1 18 . 1 1 45 45 GLY N N 45 117.443 117.443 108.429 9.014 19198 5574 1 18 . 1 1 45 45 GLY CA C 45 43.268 43.268 45.306 -2.038 19198 5575 1 18 . 1 1 45 45 GLY H H 45 8.582 8.582 7.645 0.937 19198 5576 1 18 . 1 1 46 46 VAL N N 46 117.075 117.075 116.575 0.500 19198 5577 1 18 . 1 1 46 46 VAL HA H 46 4.726 4.726 5.106 -0.380 19198 5578 1 18 . 1 1 46 46 VAL CA C 46 56.843 56.843 60.200 -3.357 19198 5579 1 18 . 1 1 46 46 VAL CB C 46 33.568 33.568 33.779 -0.211 19198 5580 1 18 . 1 1 46 46 VAL H H 46 8.875 8.875 8.673 0.202 19198 5581 1 18 . 1 1 47 47 ILE N N 47 125.899 125.899 126.377 -0.478 19198 5582 1 18 . 1 1 47 47 ILE HA H 47 4.778 4.778 3.943 0.835 19198 5583 1 18 . 1 1 47 47 ILE CB C 47 37.664 37.664 38.152 -0.488 19198 5584 1 18 . 1 1 47 47 ILE H H 47 8.765 8.765 7.862 0.903 19198 5585 1 18 . 1 1 48 48 PHE N N 48 126.624 126.624 127.371 -0.747 19198 5586 1 18 . 1 1 48 48 PHE HA H 48 4.777 4.777 4.968 -0.191 19198 5587 1 18 . 1 1 48 48 PHE CA C 48 56.162 56.162 56.021 0.141 19198 5588 1 18 . 1 1 48 48 PHE CB C 48 38.742 38.742 40.042 -1.300 19198 5589 1 18 . 1 1 48 48 PHE H H 48 9.269 9.269 7.993 1.276 19198 5590 1 18 . 1 1 49 49 GLU N N 49 123.550 123.550 122.088 1.462 19198 5591 1 18 . 1 1 49 49 GLU HA H 49 4.021 4.021 4.073 -0.052 19198 5592 1 18 . 1 1 49 49 GLU CA C 49 56.574 56.574 58.992 -2.418 19198 5593 1 18 . 1 1 49 49 GLU CB C 49 26.939 26.939 29.530 -2.591 19198 5594 1 18 . 1 1 49 49 GLU H H 49 9.331 9.331 8.484 0.847 19198 5595 1 18 . 1 1 50 50 ASP N N 50 113.383 113.383 116.340 -2.957 19198 5596 1 18 . 1 1 50 50 ASP HA H 50 4.443 4.443 4.754 -0.311 19198 5597 1 18 . 1 1 50 50 ASP CA C 50 51.307 51.307 53.416 -2.109 19198 5598 1 18 . 1 1 50 50 ASP CB C 50 38.062 38.062 41.066 -3.004 19198 5599 1 18 . 1 1 50 50 ASP H H 50 7.674 7.674 8.243 -0.569 19198 5600 1 18 . 1 1 51 51 GLY N N 51 107.745 107.745 108.520 -0.775 19198 5601 1 18 . 1 1 51 51 GLY CA C 51 42.245 42.245 45.718 -3.473 19198 5602 1 18 . 1 1 51 51 GLY H H 51 7.884 7.884 8.091 -0.207 19198 5603 1 18 . 1 1 52 52 ARG N N 52 120.713 120.713 120.607 0.106 19198 5604 1 18 . 1 1 52 52 ARG HA H 52 4.292 4.292 3.971 0.321 19198 5605 1 18 . 1 1 52 52 ARG CA C 52 55.314 55.314 55.066 0.248 19198 5606 1 18 . 1 1 52 52 ARG CB C 52 29.759 29.759 28.889 0.870 19198 5607 1 18 . 1 1 52 52 ARG H H 52 7.880 7.880 8.064 -0.184 19198 5608 1 18 . 1 1 53 53 HIS N N 53 120.216 120.216 123.485 -3.269 19198 5609 1 18 . 1 1 53 53 HIS HA H 53 5.671 5.671 4.880 0.791 19198 5610 1 18 . 1 1 53 53 HIS CA C 53 50.579 50.579 54.366 -3.787 19198 5611 1 18 . 1 1 53 53 HIS CB C 53 29.165 29.165 31.259 -2.094 19198 5612 1 18 . 1 1 53 53 HIS H H 53 8.961 8.961 7.735 1.226 19198 5613 1 18 . 1 1 54 54 TYR N N 54 121.480 121.480 126.593 -5.113 19198 5614 1 18 . 1 1 54 54 TYR HA H 54 5.574 5.574 5.203 0.371 19198 5615 1 18 . 1 1 54 54 TYR CA C 54 53.397 53.397 56.702 -3.305 19198 5616 1 18 . 1 1 54 54 TYR CB C 54 39.788 39.788 42.464 -2.676 19198 5617 1 18 . 1 1 54 54 TYR H H 54 9.259 9.259 8.774 0.485 19198 5618 1 18 . 1 1 55 55 THR N N 55 113.818 113.818 118.870 -5.052 19198 5619 1 18 . 1 1 55 55 THR HA H 55 5.013 5.013 4.908 0.105 19198 5620 1 18 . 1 1 55 55 THR CA C 55 57.994 57.994 60.631 -2.637 19198 5621 1 18 . 1 1 55 55 THR CB C 55 67.733 67.733 68.957 -1.224 19198 5622 1 18 . 1 1 55 55 THR H H 55 9.242 9.242 9.021 0.221 19198 5623 1 18 . 1 1 56 56 PHE HA H 56 5.987 5.987 5.142 0.845 19198 5624 1 18 . 1 1 56 56 PHE CA C 56 53.946 53.946 56.729 -2.783 19198 5625 1 18 . 1 1 56 56 PHE CB C 56 42.416 42.416 40.145 2.271 19198 5626 1 18 . 1 1 57 57 VAL N N 57 120.407 120.407 125.485 -5.078 19198 5627 1 18 . 1 1 57 57 VAL HA H 57 4.683 4.683 4.902 -0.219 19198 5628 1 18 . 1 1 57 57 VAL CA C 57 59.696 59.696 60.235 -0.539 19198 5629 1 18 . 1 1 57 57 VAL CB C 57 33.227 33.227 34.797 -1.570 19198 5630 1 18 . 1 1 57 57 VAL H H 57 9.076 9.076 8.334 0.742 19198 5631 1 18 . 1 1 58 58 TYR N N 58 131.325 131.325 130.412 0.913 19198 5632 1 18 . 1 1 58 58 TYR HA H 58 5.504 5.504 5.055 0.449 19198 5633 1 18 . 1 1 58 58 TYR CA C 58 53.883 53.883 55.343 -1.460 19198 5634 1 18 . 1 1 58 58 TYR CB C 58 38.558 38.558 40.411 -1.853 19198 5635 1 18 . 1 1 58 58 TYR H H 58 9.821 9.821 8.885 0.936 19198 5636 1 18 . 1 1 59 59 GLU N N 59 123.904 123.904 127.445 -3.541 19198 5637 1 18 . 1 1 59 59 GLU HA H 59 4.519 4.519 4.557 -0.038 19198 5638 1 18 . 1 1 59 59 GLU CA C 59 52.718 52.718 54.565 -1.847 19198 5639 1 18 . 1 1 59 59 GLU CB C 59 29.084 29.084 30.461 -1.377 19198 5640 1 18 . 1 1 59 59 GLU H H 59 8.182 8.182 8.811 -0.629 19198 5641 1 18 . 1 1 60 60 ASN N N 60 123.227 123.227 124.595 -1.368 19198 5642 1 18 . 1 1 60 60 ASN HA H 60 4.247 4.247 3.975 0.272 19198 5643 1 18 . 1 1 60 60 ASN CA C 60 51.876 51.876 56.255 -4.380 19198 5644 1 18 . 1 1 60 60 ASN CB C 60 34.949 34.949 37.867 -2.918 19198 5645 1 18 . 1 1 60 60 ASN H H 60 9.566 9.566 8.698 0.868 19198 5646 1 18 . 1 1 61 61 GLU N N 61 107.647 107.647 115.159 -7.512 19198 5647 1 18 . 1 1 61 61 GLU HA H 61 3.500 3.500 4.426 -0.926 19198 5648 1 18 . 1 1 61 61 GLU CA C 61 54.765 54.765 55.819 -1.054 19198 5649 1 18 . 1 1 61 61 GLU CB C 61 25.167 25.167 31.903 -6.736 19198 5650 1 18 . 1 1 61 61 GLU H H 61 8.387 8.387 8.125 0.262 19198 5651 1 18 . 1 1 62 62 ASP N N 62 119.350 119.350 122.523 -3.173 19198 5652 1 18 . 1 1 62 62 ASP HA H 62 4.724 4.724 4.765 -0.041 19198 5653 1 18 . 1 1 62 62 ASP CB C 62 41.251 41.251 42.490 -1.239 19198 5654 1 18 . 1 1 62 62 ASP H H 62 7.314 7.314 8.104 -0.790 19198 5655 1 18 . 1 1 63 63 LEU N N 63 123.998 123.998 125.465 -1.467 19198 5656 1 18 . 1 1 63 63 LEU HA H 63 5.037 5.037 4.819 0.218 19198 5657 1 18 . 1 1 63 63 LEU CA C 63 51.075 51.075 53.813 -2.738 19198 5658 1 18 . 1 1 63 63 LEU CB C 63 42.312 42.312 43.053 -0.741 19198 5659 1 18 . 1 1 63 63 LEU H H 63 8.226 8.226 8.500 -0.274 19198 5660 1 18 . 1 1 64 64 VAL N N 64 127.167 127.167 125.897 1.270 19198 5661 1 18 . 1 1 64 64 VAL HA H 64 4.361 4.361 3.847 0.514 19198 5662 1 18 . 1 1 64 64 VAL CA C 64 58.470 58.470 61.243 -2.773 19198 5663 1 18 . 1 1 64 64 VAL CB C 64 31.939 31.939 33.480 -1.541 19198 5664 1 18 . 1 1 64 64 VAL H H 64 8.915 8.915 8.514 0.401 19198 5665 1 18 . 1 1 65 65 TYR N N 65 121.421 121.421 117.525 3.896 19198 5666 1 18 . 1 1 65 65 TYR HA H 65 5.893 5.893 5.699 0.194 19198 5667 1 18 . 1 1 65 65 TYR CA C 65 53.115 53.115 55.179 -2.064 19198 5668 1 18 . 1 1 65 65 TYR CB C 65 39.948 39.948 40.928 -0.980 19198 5669 1 18 . 1 1 65 65 TYR H H 65 8.207 8.207 7.829 0.378 19198 5670 1 18 . 1 1 66 66 GLU N N 66 117.842 117.842 119.792 -1.950 19198 5671 1 18 . 1 1 66 66 GLU HA H 66 4.793 4.793 4.746 0.047 19198 5672 1 18 . 1 1 66 66 GLU CB C 66 30.949 30.949 32.971 -2.022 19198 5673 1 18 . 1 1 66 66 GLU H H 66 8.875 8.875 9.020 -0.145 19198 5674 1 18 . 1 1 67 67 GLU N N 67 125.220 125.220 122.542 2.678 19198 5675 1 18 . 1 1 67 67 GLU HA H 67 4.084 4.084 4.425 -0.341 19198 5676 1 18 . 1 1 67 67 GLU CA C 67 54.157 54.157 56.453 -2.296 19198 5677 1 18 . 1 1 67 67 GLU CB C 67 27.697 27.697 30.797 -3.099 19198 5678 1 18 . 1 1 67 67 GLU H H 67 9.033 9.033 8.816 0.217 19198 5679 1 18 . 1 1 68 68 GLU N N 68 127.058 127.058 126.983 0.075 19198 5680 1 18 . 1 1 68 68 GLU HA H 68 4.358 4.358 4.371 -0.013 19198 5681 1 18 . 1 1 68 68 GLU CA C 68 53.193 53.193 54.880 -1.688 19198 5682 1 18 . 1 1 68 68 GLU CB C 68 28.405 28.405 28.318 0.087 19198 5683 1 18 . 1 1 68 68 GLU H H 68 8.546 8.546 8.504 0.042 19198 5684 1 18 . 1 1 69 69 VAL N N 69 125.782 125.782 125.756 0.026 19198 5685 1 18 . 1 1 69 69 VAL HA H 69 4.046 4.046 3.961 0.085 19198 5686 1 18 . 1 1 69 69 VAL CA C 69 59.775 59.775 62.383 -2.608 19198 5687 1 18 . 1 1 69 69 VAL CB C 69 30.174 30.174 30.736 -0.562 19198 5688 1 18 . 1 1 69 69 VAL H H 69 8.422 8.422 7.992 0.430 19198 5689 1 19 . 1 1 3 3 ASP N N 3 120.996 120.996 122.955 -1.959 19198 5690 1 19 . 1 1 3 3 ASP H H 3 8.416 8.416 8.593 -0.177 19198 5691 1 19 . 1 1 4 4 ARG N N 4 120.957 120.957 121.590 -0.633 19198 5692 1 19 . 1 1 4 4 ARG H H 4 8.187 8.187 8.265 -0.078 19198 5693 1 19 . 1 1 5 5 LYS N N 5 122.746 122.746 123.304 -0.558 19198 5694 1 19 . 1 1 5 5 LYS HA H 5 4.209 4.209 4.224 -0.016 19198 5695 1 19 . 1 1 5 5 LYS CA C 5 53.562 53.562 56.749 -3.187 19198 5696 1 19 . 1 1 5 5 LYS CB C 5 30.595 30.595 31.308 -0.713 19198 5697 1 19 . 1 1 5 5 LYS H H 5 8.223 8.223 8.143 0.080 19198 5698 1 19 . 1 1 6 6 LEU N N 6 124.432 124.432 126.869 -2.437 19198 5699 1 19 . 1 1 6 6 LEU HA H 6 4.345 4.345 4.966 -0.621 19198 5700 1 19 . 1 1 6 6 LEU CA C 6 52.051 52.051 53.860 -1.809 19198 5701 1 19 . 1 1 6 6 LEU CB C 6 39.833 39.833 44.388 -4.555 19198 5702 1 19 . 1 1 6 6 LEU H H 6 8.258 8.258 8.308 -0.050 19198 5703 1 19 . 1 1 7 7 MET N N 7 122.420 122.420 117.965 4.455 19198 5704 1 19 . 1 1 7 7 MET HA H 7 4.529 4.529 4.909 -0.380 19198 5705 1 19 . 1 1 7 7 MET CA C 7 52.288 52.288 54.051 -1.763 19198 5706 1 19 . 1 1 7 7 MET CB C 7 30.827 30.827 34.771 -3.944 19198 5707 1 19 . 1 1 7 7 MET H H 7 8.284 8.284 8.207 0.077 19198 5708 1 19 . 1 1 8 8 LYS N N 8 124.204 124.204 121.902 2.302 19198 5709 1 19 . 1 1 8 8 LYS HA H 8 4.461 4.461 4.593 -0.132 19198 5710 1 19 . 1 1 8 8 LYS CA C 8 53.986 53.986 56.567 -2.581 19198 5711 1 19 . 1 1 8 8 LYS CB C 8 31.771 31.771 33.213 -1.442 19198 5712 1 19 . 1 1 8 8 LYS H H 8 9.420 9.420 8.556 0.864 19198 5713 1 19 . 1 1 9 9 THR N N 9 113.488 113.488 111.736 1.752 19198 5714 1 19 . 1 1 9 9 THR HA H 9 4.366 4.366 4.461 -0.095 19198 5715 1 19 . 1 1 9 9 THR CA C 9 57.964 57.964 60.606 -2.642 19198 5716 1 19 . 1 1 9 9 THR CB C 9 68.912 68.912 71.224 -2.312 19198 5717 1 19 . 1 1 9 9 THR H H 9 8.817 8.817 8.162 0.655 19198 5718 1 19 . 1 1 10 10 GLN N N 10 121.509 121.509 121.183 0.326 19198 5719 1 19 . 1 1 10 10 GLN HA H 10 3.012 3.012 3.528 -0.516 19198 5720 1 19 . 1 1 10 10 GLN CA C 10 57.666 57.666 59.877 -2.211 19198 5721 1 19 . 1 1 10 10 GLN CB C 10 24.850 24.850 27.853 -3.003 19198 5722 1 19 . 1 1 10 10 GLN H H 10 8.586 8.586 8.874 -0.288 19198 5723 1 19 . 1 1 11 11 GLU N N 11 121.406 121.406 120.113 1.293 19198 5724 1 19 . 1 1 11 11 GLU HA H 11 3.801 3.801 3.948 -0.147 19198 5725 1 19 . 1 1 11 11 GLU CA C 11 57.739 57.739 59.669 -1.930 19198 5726 1 19 . 1 1 11 11 GLU CB C 11 26.332 26.332 29.062 -2.730 19198 5727 1 19 . 1 1 11 11 GLU H H 11 8.998 8.998 8.493 0.505 19198 5728 1 19 . 1 1 12 12 GLU N N 12 120.601 120.601 119.436 1.165 19198 5729 1 19 . 1 1 12 12 GLU HA H 12 3.864 3.864 3.989 -0.125 19198 5730 1 19 . 1 1 12 12 GLU CA C 12 56.542 56.542 59.364 -2.822 19198 5731 1 19 . 1 1 12 12 GLU CB C 12 27.796 27.796 29.608 -1.812 19198 5732 1 19 . 1 1 12 12 GLU H H 12 7.688 7.688 7.909 -0.221 19198 5733 1 19 . 1 1 13 13 LEU N N 13 117.867 117.867 119.274 -1.407 19198 5734 1 19 . 1 1 13 13 LEU HA H 13 3.755 3.755 4.050 -0.295 19198 5735 1 19 . 1 1 13 13 LEU CA C 13 54.855 54.855 58.076 -3.221 19198 5736 1 19 . 1 1 13 13 LEU CB C 13 40.140 40.140 40.986 -0.846 19198 5737 1 19 . 1 1 13 13 LEU H H 13 8.172 8.172 7.968 0.204 19198 5738 1 19 . 1 1 14 14 THR N N 14 115.136 115.136 115.262 -0.126 19198 5739 1 19 . 1 1 14 14 THR HA H 14 3.256 3.256 4.012 -0.756 19198 5740 1 19 . 1 1 14 14 THR CA C 14 64.768 64.768 66.901 -2.133 19198 5741 1 19 . 1 1 14 14 THR CB C 14 65.545 65.545 68.329 -2.784 19198 5742 1 19 . 1 1 14 14 THR H H 14 8.166 8.166 7.652 0.514 19198 5743 1 19 . 1 1 15 15 GLU N N 15 120.674 120.674 121.798 -1.124 19198 5744 1 19 . 1 1 15 15 GLU HA H 15 3.857 3.857 4.003 -0.146 19198 5745 1 19 . 1 1 15 15 GLU CA C 15 56.467 56.467 59.497 -3.030 19198 5746 1 19 . 1 1 15 15 GLU CB C 15 26.370 26.370 29.159 -2.789 19198 5747 1 19 . 1 1 15 15 GLU H H 15 7.504 7.504 8.290 -0.786 19198 5748 1 19 . 1 1 16 16 ILE N N 16 119.946 119.946 120.431 -0.485 19198 5749 1 19 . 1 1 16 16 ILE HA H 16 3.602 3.602 3.509 0.093 19198 5750 1 19 . 1 1 16 16 ILE CA C 16 62.428 62.428 65.730 -3.302 19198 5751 1 19 . 1 1 16 16 ILE CB C 16 35.913 35.913 37.717 -1.804 19198 5752 1 19 . 1 1 16 16 ILE H H 16 7.162 7.162 8.356 -1.194 19198 5753 1 19 . 1 1 17 17 VAL N N 17 120.087 120.087 119.299 0.788 19198 5754 1 19 . 1 1 17 17 VAL HA H 17 3.001 3.001 3.818 -0.817 19198 5755 1 19 . 1 1 17 17 VAL CA C 17 64.706 64.706 67.038 -2.332 19198 5756 1 19 . 1 1 17 17 VAL CB C 17 28.391 28.391 31.686 -3.295 19198 5757 1 19 . 1 1 17 17 VAL H H 17 7.539 7.539 7.406 0.133 19198 5758 1 19 . 1 1 18 18 ARG N N 18 121.099 121.099 119.863 1.236 19198 5759 1 19 . 1 1 18 18 ARG HA H 18 3.438 3.438 3.996 -0.558 19198 5760 1 19 . 1 1 18 18 ARG CA C 18 57.834 57.834 59.870 -2.036 19198 5761 1 19 . 1 1 18 18 ARG CB C 18 27.388 27.388 30.090 -2.702 19198 5762 1 19 . 1 1 18 18 ARG H H 18 8.708 8.708 8.038 0.670 19198 5763 1 19 . 1 1 19 19 ASP N N 19 118.955 118.955 118.310 0.645 19198 5764 1 19 . 1 1 19 19 ASP HA H 19 4.215 4.215 4.391 -0.176 19198 5765 1 19 . 1 1 19 19 ASP CA C 19 54.604 54.604 56.886 -2.282 19198 5766 1 19 . 1 1 19 19 ASP CB C 19 37.705 37.705 40.562 -2.857 19198 5767 1 19 . 1 1 19 19 ASP H H 19 8.286 8.286 8.452 -0.166 19198 5768 1 19 . 1 1 20 20 HIS N N 20 116.419 116.419 116.601 -0.182 19198 5769 1 19 . 1 1 20 20 HIS HA H 20 4.147 4.147 4.487 -0.340 19198 5770 1 19 . 1 1 20 20 HIS CA C 20 56.243 56.243 58.718 -2.475 19198 5771 1 19 . 1 1 20 20 HIS CB C 20 26.196 26.196 30.296 -4.100 19198 5772 1 19 . 1 1 20 20 HIS H H 20 7.532 7.532 7.934 -0.402 19198 5773 1 19 . 1 1 21 21 PHE N N 21 116.347 116.347 120.120 -3.773 19198 5774 1 19 . 1 1 21 21 PHE HA H 21 4.463 4.463 4.854 -0.391 19198 5775 1 19 . 1 1 21 21 PHE CA C 21 58.279 58.279 57.972 0.307 19198 5776 1 19 . 1 1 21 21 PHE CB C 21 36.780 36.780 40.028 -3.248 19198 5777 1 19 . 1 1 21 21 PHE H H 21 7.983 7.983 8.033 -0.050 19198 5778 1 19 . 1 1 22 22 SER N N 22 116.555 116.555 116.270 0.285 19198 5779 1 19 . 1 1 22 22 SER HA H 22 4.541 4.541 4.316 0.225 19198 5780 1 19 . 1 1 22 22 SER CA C 22 59.013 59.013 61.942 -2.929 19198 5781 1 19 . 1 1 22 22 SER CB C 22 60.225 60.225 62.783 -2.558 19198 5782 1 19 . 1 1 22 22 SER H H 22 8.578 8.578 8.544 0.034 19198 5783 1 19 . 1 1 23 23 ASP N N 23 118.564 118.564 121.887 -3.323 19198 5784 1 19 . 1 1 23 23 ASP HA H 23 4.581 4.581 4.704 -0.123 19198 5785 1 19 . 1 1 23 23 ASP CA C 23 52.796 52.796 56.249 -3.453 19198 5786 1 19 . 1 1 23 23 ASP CB C 23 38.460 38.460 41.123 -2.663 19198 5787 1 19 . 1 1 23 23 ASP H H 23 7.246 7.246 8.351 -1.105 19198 5788 1 19 . 1 1 24 24 MET N N 24 116.378 116.378 117.000 -0.622 19198 5789 1 19 . 1 1 24 24 MET HA H 24 4.207 4.207 4.744 -0.537 19198 5790 1 19 . 1 1 24 24 MET CA C 24 53.696 53.696 54.490 -0.794 19198 5791 1 19 . 1 1 24 24 MET CB C 24 32.101 32.101 33.527 -1.426 19198 5792 1 19 . 1 1 24 24 MET H H 24 7.958 7.958 8.040 -0.082 19198 5793 1 19 . 1 1 25 25 GLY N N 25 107.470 107.470 106.021 1.449 19198 5794 1 19 . 1 1 25 25 GLY CA C 25 42.230 42.230 44.663 -2.433 19198 5795 1 19 . 1 1 25 25 GLY H H 25 7.475 7.475 7.466 0.009 19198 5796 1 19 . 1 1 26 26 GLU N N 26 117.869 117.869 121.294 -3.425 19198 5797 1 19 . 1 1 26 26 GLU HA H 26 4.452 4.452 4.463 -0.011 19198 5798 1 19 . 1 1 26 26 GLU CA C 26 52.851 52.851 54.208 -1.357 19198 5799 1 19 . 1 1 26 26 GLU CB C 26 27.412 27.412 30.517 -3.105 19198 5800 1 19 . 1 1 26 26 GLU H H 26 8.397 8.397 8.594 -0.197 19198 5801 1 19 . 1 1 27 27 ILE N N 27 129.460 129.460 124.471 4.989 19198 5802 1 19 . 1 1 27 27 ILE HA H 27 3.206 3.206 2.816 0.390 19198 5803 1 19 . 1 1 27 27 ILE CA C 27 61.133 61.133 61.883 -0.750 19198 5804 1 19 . 1 1 27 27 ILE CB C 27 36.987 36.987 37.457 -0.470 19198 5805 1 19 . 1 1 27 27 ILE H H 27 8.980 8.980 8.326 0.654 19198 5806 1 19 . 1 1 28 28 ALA N N 28 131.875 131.875 129.614 2.261 19198 5807 1 19 . 1 1 28 28 ALA HA H 28 4.492 4.492 4.265 0.227 19198 5808 1 19 . 1 1 28 28 ALA CA C 28 50.949 50.949 52.772 -1.823 19198 5809 1 19 . 1 1 28 28 ALA CB C 28 17.101 17.101 20.720 -3.619 19198 5810 1 19 . 1 1 28 28 ALA H H 28 9.208 9.208 8.400 0.808 19198 5811 1 19 . 1 1 29 29 THR N N 29 112.070 112.070 114.886 -2.816 19198 5812 1 19 . 1 1 29 29 THR HA H 29 4.346 4.346 4.427 -0.081 19198 5813 1 19 . 1 1 29 29 THR CA C 29 58.963 58.963 61.566 -2.603 19198 5814 1 19 . 1 1 29 29 THR CB C 29 69.475 69.475 70.754 -1.280 19198 5815 1 19 . 1 1 29 29 THR H H 29 7.803 7.803 7.934 -0.131 19198 5816 1 19 . 1 1 30 30 LEU N N 30 129.754 129.754 128.568 1.186 19198 5817 1 19 . 1 1 30 30 LEU HA H 30 4.878 4.878 4.762 0.116 19198 5818 1 19 . 1 1 30 30 LEU CA C 30 52.316 52.316 54.352 -2.035 19198 5819 1 19 . 1 1 30 30 LEU CB C 30 42.195 42.195 42.694 -0.499 19198 5820 1 19 . 1 1 30 30 LEU H H 30 8.388 8.388 8.506 -0.118 19198 5821 1 19 . 1 1 31 31 TYR N N 31 124.642 124.642 122.948 1.694 19198 5822 1 19 . 1 1 31 31 TYR HA H 31 5.108 5.108 4.748 0.360 19198 5823 1 19 . 1 1 31 31 TYR CA C 31 52.174 52.174 54.965 -2.791 19198 5824 1 19 . 1 1 31 31 TYR CB C 31 38.406 38.406 39.661 -1.255 19198 5825 1 19 . 1 1 31 31 TYR H H 31 8.837 8.837 8.383 0.454 19198 5826 1 19 . 1 1 32 32 VAL N N 32 121.165 121.165 121.986 -0.821 19198 5827 1 19 . 1 1 32 32 VAL HA H 32 4.083 4.083 4.054 0.029 19198 5828 1 19 . 1 1 32 32 VAL CA C 32 59.645 59.645 62.173 -2.528 19198 5829 1 19 . 1 1 32 32 VAL CB C 32 32.016 32.016 32.727 -0.711 19198 5830 1 19 . 1 1 32 32 VAL H H 32 8.684 8.684 8.626 0.058 19198 5831 1 19 . 1 1 33 33 GLN N N 33 126.911 126.911 127.462 -0.551 19198 5832 1 19 . 1 1 33 33 GLN HA H 33 4.462 4.462 4.360 0.102 19198 5833 1 19 . 1 1 33 33 GLN CA C 33 54.266 54.266 55.572 -1.306 19198 5834 1 19 . 1 1 33 33 GLN CB C 33 28.717 28.717 29.879 -1.162 19198 5835 1 19 . 1 1 33 33 GLN H H 33 9.633 9.633 8.476 1.157 19198 5836 1 19 . 1 1 34 34 VAL N N 34 117.041 117.041 119.171 -2.130 19198 5837 1 19 . 1 1 34 34 VAL HA H 34 4.313 4.313 4.266 0.047 19198 5838 1 19 . 1 1 34 34 VAL CA C 34 59.270 59.270 61.627 -2.357 19198 5839 1 19 . 1 1 34 34 VAL CB C 34 33.725 33.725 32.212 1.513 19198 5840 1 19 . 1 1 34 34 VAL H H 34 7.840 7.840 7.630 0.210 19198 5841 1 19 . 1 1 35 35 TYR N N 35 128.263 128.263 124.118 4.145 19198 5842 1 19 . 1 1 35 35 TYR HA H 35 5.415 5.415 4.496 0.919 19198 5843 1 19 . 1 1 35 35 TYR CA C 35 52.594 52.594 56.627 -4.032 19198 5844 1 19 . 1 1 35 35 TYR CB C 35 38.583 38.583 38.745 -0.162 19198 5845 1 19 . 1 1 35 35 TYR H H 35 8.580 8.580 8.041 0.539 19198 5846 1 19 . 1 1 36 36 GLU N N 36 129.574 129.574 127.963 1.611 19198 5847 1 19 . 1 1 36 36 GLU HA H 36 4.403 4.403 4.327 0.076 19198 5848 1 19 . 1 1 36 36 GLU CA C 36 51.421 51.421 54.607 -3.186 19198 5849 1 19 . 1 1 36 36 GLU CB C 36 28.035 28.035 30.590 -2.555 19198 5850 1 19 . 1 1 36 36 GLU H H 36 8.118 8.118 8.419 -0.301 19198 5851 1 19 . 1 1 37 37 SER N N 37 121.805 121.805 122.898 -1.093 19198 5852 1 19 . 1 1 37 37 SER HA H 37 3.754 3.754 3.889 -0.135 19198 5853 1 19 . 1 1 37 37 SER CA C 37 57.817 57.817 59.622 -1.805 19198 5854 1 19 . 1 1 37 37 SER CB C 37 60.041 60.041 62.979 -2.938 19198 5855 1 19 . 1 1 37 37 SER H H 37 8.312 8.312 8.648 -0.336 19198 5856 1 19 . 1 1 38 38 SER N N 38 116.337 116.337 113.867 2.470 19198 5857 1 19 . 1 1 38 38 SER HA H 38 4.214 4.214 4.592 -0.378 19198 5858 1 19 . 1 1 38 38 SER CA C 38 58.237 58.237 58.475 -0.238 19198 5859 1 19 . 1 1 38 38 SER CB C 38 60.243 60.243 64.759 -4.516 19198 5860 1 19 . 1 1 38 38 SER H H 38 8.389 8.389 7.934 0.455 19198 5861 1 19 . 1 1 39 39 LEU N N 39 119.070 119.070 120.153 -1.083 19198 5862 1 19 . 1 1 39 39 LEU HA H 39 4.414 4.414 4.584 -0.170 19198 5863 1 19 . 1 1 39 39 LEU CA C 39 51.365 51.365 53.678 -2.313 19198 5864 1 19 . 1 1 39 39 LEU CB C 39 40.504 40.504 45.810 -5.306 19198 5865 1 19 . 1 1 39 39 LEU H H 39 6.905 6.905 7.271 -0.366 19198 5866 1 19 . 1 1 40 40 GLU N N 40 118.837 118.837 121.311 -2.474 19198 5867 1 19 . 1 1 40 40 GLU HA H 40 3.781 3.781 4.548 -0.767 19198 5868 1 19 . 1 1 40 40 GLU CA C 40 54.621 54.621 56.341 -1.720 19198 5869 1 19 . 1 1 40 40 GLU CB C 40 26.307 26.307 28.047 -1.740 19198 5870 1 19 . 1 1 40 40 GLU H H 40 7.814 7.814 8.816 -1.002 19198 5871 1 19 . 1 1 41 41 SER N N 41 110.546 110.546 116.303 -5.757 19198 5872 1 19 . 1 1 41 41 SER HA H 41 5.730 5.730 4.942 0.788 19198 5873 1 19 . 1 1 41 41 SER CA C 41 52.696 52.696 56.825 -4.128 19198 5874 1 19 . 1 1 41 41 SER CB C 41 63.820 63.820 65.096 -1.276 19198 5875 1 19 . 1 1 41 41 SER H H 41 7.452 7.452 8.188 -0.736 19198 5876 1 19 . 1 1 42 42 LEU N N 42 124.649 124.649 127.469 -2.820 19198 5877 1 19 . 1 1 42 42 LEU HA H 42 5.384 5.384 4.854 0.530 19198 5878 1 19 . 1 1 42 42 LEU CA C 42 51.231 51.231 54.985 -3.754 19198 5879 1 19 . 1 1 42 42 LEU CB C 42 46.451 46.451 44.988 1.463 19198 5880 1 19 . 1 1 42 42 LEU H H 42 9.281 9.281 8.305 0.976 19198 5881 1 19 . 1 1 43 43 VAL N N 43 125.093 125.093 122.738 2.355 19198 5882 1 19 . 1 1 43 43 VAL HA H 43 4.629 4.629 4.950 -0.321 19198 5883 1 19 . 1 1 43 43 VAL CA C 43 58.185 58.185 60.340 -2.155 19198 5884 1 19 . 1 1 43 43 VAL CB C 43 33.136 33.136 35.823 -2.687 19198 5885 1 19 . 1 1 43 43 VAL H H 43 8.849 8.849 8.274 0.575 19198 5886 1 19 . 1 1 44 44 GLY N N 44 114.807 114.807 109.495 5.312 19198 5887 1 19 . 1 1 44 44 GLY CA C 44 43.685 43.685 45.022 -1.337 19198 5888 1 19 . 1 1 44 44 GLY H H 44 7.156 7.156 8.575 -1.419 19198 5889 1 19 . 1 1 45 45 GLY N N 45 117.443 117.443 109.329 8.114 19198 5890 1 19 . 1 1 45 45 GLY CA C 45 43.268 43.268 45.608 -2.340 19198 5891 1 19 . 1 1 45 45 GLY H H 45 8.582 8.582 7.799 0.783 19198 5892 1 19 . 1 1 46 46 VAL N N 46 117.075 117.075 118.820 -1.745 19198 5893 1 19 . 1 1 46 46 VAL HA H 46 4.726 4.726 4.437 0.289 19198 5894 1 19 . 1 1 46 46 VAL CA C 46 56.843 56.843 61.970 -5.127 19198 5895 1 19 . 1 1 46 46 VAL CB C 46 33.568 33.568 35.346 -1.778 19198 5896 1 19 . 1 1 46 46 VAL H H 46 8.875 8.875 8.233 0.642 19198 5897 1 19 . 1 1 47 47 ILE N N 47 125.899 125.899 129.114 -3.215 19198 5898 1 19 . 1 1 47 47 ILE HA H 47 4.778 4.778 4.456 0.322 19198 5899 1 19 . 1 1 47 47 ILE CB C 47 37.664 37.664 39.211 -1.547 19198 5900 1 19 . 1 1 47 47 ILE H H 47 8.765 8.765 8.368 0.397 19198 5901 1 19 . 1 1 48 48 PHE N N 48 126.624 126.624 127.694 -1.070 19198 5902 1 19 . 1 1 48 48 PHE HA H 48 4.777 4.777 4.825 -0.048 19198 5903 1 19 . 1 1 48 48 PHE CA C 48 56.162 56.162 57.422 -1.260 19198 5904 1 19 . 1 1 48 48 PHE CB C 48 38.742 38.742 41.097 -2.355 19198 5905 1 19 . 1 1 48 48 PHE H H 48 9.269 9.269 8.308 0.961 19198 5906 1 19 . 1 1 49 49 GLU N N 49 123.550 123.550 122.567 0.983 19198 5907 1 19 . 1 1 49 49 GLU HA H 49 4.021 4.021 3.970 0.051 19198 5908 1 19 . 1 1 49 49 GLU CA C 49 56.574 56.574 59.881 -3.307 19198 5909 1 19 . 1 1 49 49 GLU CB C 49 26.939 26.939 29.487 -2.548 19198 5910 1 19 . 1 1 49 49 GLU H H 49 9.331 9.331 8.495 0.836 19198 5911 1 19 . 1 1 50 50 ASP N N 50 113.383 113.383 116.327 -2.944 19198 5912 1 19 . 1 1 50 50 ASP HA H 50 4.443 4.443 4.685 -0.242 19198 5913 1 19 . 1 1 50 50 ASP CA C 50 51.307 51.307 54.396 -3.089 19198 5914 1 19 . 1 1 50 50 ASP CB C 50 38.062 38.062 41.451 -3.389 19198 5915 1 19 . 1 1 50 50 ASP H H 50 7.674 7.674 8.289 -0.615 19198 5916 1 19 . 1 1 51 51 GLY N N 51 107.745 107.745 109.134 -1.389 19198 5917 1 19 . 1 1 51 51 GLY CA C 51 42.245 42.245 45.334 -3.089 19198 5918 1 19 . 1 1 51 51 GLY H H 51 7.884 7.884 7.690 0.194 19198 5919 1 19 . 1 1 52 52 ARG N N 52 120.713 120.713 120.943 -0.230 19198 5920 1 19 . 1 1 52 52 ARG HA H 52 4.292 4.292 4.581 -0.289 19198 5921 1 19 . 1 1 52 52 ARG CA C 52 55.314 55.314 54.987 0.327 19198 5922 1 19 . 1 1 52 52 ARG CB C 52 29.759 29.759 31.242 -1.483 19198 5923 1 19 . 1 1 52 52 ARG H H 52 7.880 7.880 8.053 -0.173 19198 5924 1 19 . 1 1 53 53 HIS N N 53 120.216 120.216 124.829 -4.613 19198 5925 1 19 . 1 1 53 53 HIS HA H 53 5.671 5.671 5.286 0.385 19198 5926 1 19 . 1 1 53 53 HIS CA C 53 50.579 50.579 54.126 -3.547 19198 5927 1 19 . 1 1 53 53 HIS CB C 53 29.165 29.165 31.348 -2.183 19198 5928 1 19 . 1 1 53 53 HIS H H 53 8.961 8.961 8.392 0.569 19198 5929 1 19 . 1 1 54 54 TYR N N 54 121.480 121.480 127.660 -6.180 19198 5930 1 19 . 1 1 54 54 TYR HA H 54 5.574 5.574 5.013 0.561 19198 5931 1 19 . 1 1 54 54 TYR CA C 54 53.397 53.397 56.490 -3.093 19198 5932 1 19 . 1 1 54 54 TYR CB C 54 39.788 39.788 41.967 -2.179 19198 5933 1 19 . 1 1 54 54 TYR H H 54 9.259 9.259 8.560 0.699 19198 5934 1 19 . 1 1 55 55 THR N N 55 113.818 113.818 117.826 -4.008 19198 5935 1 19 . 1 1 55 55 THR HA H 55 5.013 5.013 4.469 0.544 19198 5936 1 19 . 1 1 55 55 THR CA C 55 57.994 57.994 62.341 -4.347 19198 5937 1 19 . 1 1 55 55 THR CB C 55 67.733 67.733 67.883 -0.150 19198 5938 1 19 . 1 1 55 55 THR H H 55 9.242 9.242 8.798 0.444 19198 5939 1 19 . 1 1 56 56 PHE HA H 56 5.987 5.987 4.950 1.037 19198 5940 1 19 . 1 1 56 56 PHE CA C 56 53.946 53.946 58.469 -4.523 19198 5941 1 19 . 1 1 56 56 PHE CB C 56 42.416 42.416 40.677 1.739 19198 5942 1 19 . 1 1 57 57 VAL N N 57 120.407 120.407 124.767 -4.360 19198 5943 1 19 . 1 1 57 57 VAL HA H 57 4.683 4.683 4.534 0.149 19198 5944 1 19 . 1 1 57 57 VAL CA C 57 59.696 59.696 60.527 -0.831 19198 5945 1 19 . 1 1 57 57 VAL CB C 57 33.227 33.227 34.651 -1.424 19198 5946 1 19 . 1 1 57 57 VAL H H 57 9.076 9.076 8.433 0.643 19198 5947 1 19 . 1 1 58 58 TYR N N 58 131.325 131.325 130.312 1.013 19198 5948 1 19 . 1 1 58 58 TYR HA H 58 5.504 5.504 5.105 0.399 19198 5949 1 19 . 1 1 58 58 TYR CA C 58 53.883 53.883 56.080 -2.197 19198 5950 1 19 . 1 1 58 58 TYR CB C 58 38.558 38.558 40.674 -2.116 19198 5951 1 19 . 1 1 58 58 TYR H H 58 9.821 9.821 8.541 1.280 19198 5952 1 19 . 1 1 59 59 GLU N N 59 123.904 123.904 126.825 -2.921 19198 5953 1 19 . 1 1 59 59 GLU HA H 59 4.519 4.519 4.451 0.068 19198 5954 1 19 . 1 1 59 59 GLU CA C 59 52.718 52.718 55.034 -2.316 19198 5955 1 19 . 1 1 59 59 GLU CB C 59 29.084 29.084 30.595 -1.511 19198 5956 1 19 . 1 1 59 59 GLU H H 59 8.182 8.182 8.484 -0.302 19198 5957 1 19 . 1 1 60 60 ASN N N 60 123.227 123.227 123.516 -0.289 19198 5958 1 19 . 1 1 60 60 ASN HA H 60 4.247 4.247 3.897 0.350 19198 5959 1 19 . 1 1 60 60 ASN CA C 60 51.876 51.876 56.929 -5.053 19198 5960 1 19 . 1 1 60 60 ASN CB C 60 34.949 34.949 38.045 -3.096 19198 5961 1 19 . 1 1 60 60 ASN H H 60 9.566 9.566 8.540 1.026 19198 5962 1 19 . 1 1 61 61 GLU N N 61 107.647 107.647 114.625 -6.978 19198 5963 1 19 . 1 1 61 61 GLU HA H 61 3.500 3.500 4.474 -0.974 19198 5964 1 19 . 1 1 61 61 GLU CA C 61 54.765 54.765 56.337 -1.572 19198 5965 1 19 . 1 1 61 61 GLU CB C 61 25.167 25.167 32.237 -7.070 19198 5966 1 19 . 1 1 61 61 GLU H H 61 8.387 8.387 8.063 0.324 19198 5967 1 19 . 1 1 62 62 ASP N N 62 119.350 119.350 124.044 -4.694 19198 5968 1 19 . 1 1 62 62 ASP HA H 62 4.724 4.724 4.550 0.174 19198 5969 1 19 . 1 1 62 62 ASP CB C 62 41.251 41.251 40.552 0.699 19198 5970 1 19 . 1 1 62 62 ASP H H 62 7.314 7.314 8.008 -0.694 19198 5971 1 19 . 1 1 63 63 LEU N N 63 123.998 123.998 127.321 -3.323 19198 5972 1 19 . 1 1 63 63 LEU HA H 63 5.037 5.037 4.700 0.337 19198 5973 1 19 . 1 1 63 63 LEU CA C 63 51.075 51.075 54.804 -3.729 19198 5974 1 19 . 1 1 63 63 LEU CB C 63 42.312 42.312 42.635 -0.323 19198 5975 1 19 . 1 1 63 63 LEU H H 63 8.226 8.226 7.896 0.330 19198 5976 1 19 . 1 1 64 64 VAL N N 64 127.167 127.167 127.298 -0.131 19198 5977 1 19 . 1 1 64 64 VAL HA H 64 4.361 4.361 4.149 0.212 19198 5978 1 19 . 1 1 64 64 VAL CA C 64 58.470 58.470 60.330 -1.860 19198 5979 1 19 . 1 1 64 64 VAL CB C 64 31.939 31.939 35.516 -3.577 19198 5980 1 19 . 1 1 64 64 VAL H H 64 8.915 8.915 8.707 0.208 19198 5981 1 19 . 1 1 65 65 TYR N N 65 121.421 121.421 117.028 4.393 19198 5982 1 19 . 1 1 65 65 TYR HA H 65 5.893 5.893 5.779 0.114 19198 5983 1 19 . 1 1 65 65 TYR CA C 65 53.115 53.115 54.602 -1.487 19198 5984 1 19 . 1 1 65 65 TYR CB C 65 39.948 39.948 41.238 -1.290 19198 5985 1 19 . 1 1 65 65 TYR H H 65 8.207 8.207 7.869 0.338 19198 5986 1 19 . 1 1 66 66 GLU N N 66 117.842 117.842 118.871 -1.029 19198 5987 1 19 . 1 1 66 66 GLU HA H 66 4.793 4.793 4.900 -0.107 19198 5988 1 19 . 1 1 66 66 GLU CB C 66 30.949 30.949 34.192 -3.243 19198 5989 1 19 . 1 1 66 66 GLU H H 66 8.875 8.875 8.828 0.047 19198 5990 1 19 . 1 1 67 67 GLU N N 67 125.220 125.220 120.416 4.804 19198 5991 1 19 . 1 1 67 67 GLU HA H 67 4.084 4.084 3.743 0.341 19198 5992 1 19 . 1 1 67 67 GLU CA C 67 54.157 54.157 56.047 -1.890 19198 5993 1 19 . 1 1 67 67 GLU CB C 67 27.697 27.697 30.858 -3.161 19198 5994 1 19 . 1 1 67 67 GLU H H 67 9.033 9.033 8.774 0.259 19198 5995 1 19 . 1 1 68 68 GLU N N 68 127.058 127.058 126.416 0.642 19198 5996 1 19 . 1 1 68 68 GLU HA H 68 4.358 4.358 4.310 0.048 19198 5997 1 19 . 1 1 68 68 GLU CA C 68 53.193 53.193 55.043 -1.850 19198 5998 1 19 . 1 1 68 68 GLU CB C 68 28.405 28.405 28.224 0.181 19198 5999 1 19 . 1 1 68 68 GLU H H 68 8.546 8.546 8.066 0.480 19198 6000 1 19 . 1 1 69 69 VAL N N 69 125.782 125.782 124.829 0.953 19198 6001 1 19 . 1 1 69 69 VAL HA H 69 4.046 4.046 3.931 0.115 19198 6002 1 19 . 1 1 69 69 VAL CA C 69 59.775 59.775 62.809 -3.034 19198 6003 1 19 . 1 1 69 69 VAL CB C 69 30.174 30.174 31.713 -1.539 19198 6004 1 19 . 1 1 69 69 VAL H H 69 8.422 8.422 7.905 0.517 19198 6005 1 20 . 1 1 3 3 ASP N N 3 120.996 120.996 119.122 1.874 19198 6006 1 20 . 1 1 3 3 ASP H H 3 8.416 8.416 8.167 0.249 19198 6007 1 20 . 1 1 4 4 ARG N N 4 120.957 120.957 118.231 2.726 19198 6008 1 20 . 1 1 4 4 ARG H H 4 8.187 8.187 8.064 0.123 19198 6009 1 20 . 1 1 5 5 LYS N N 5 122.746 122.746 122.481 0.265 19198 6010 1 20 . 1 1 5 5 LYS HA H 5 4.209 4.209 4.513 -0.304 19198 6011 1 20 . 1 1 5 5 LYS CA C 5 53.562 53.562 56.079 -2.517 19198 6012 1 20 . 1 1 5 5 LYS CB C 5 30.595 30.595 32.339 -1.744 19198 6013 1 20 . 1 1 5 5 LYS H H 5 8.223 8.223 7.950 0.273 19198 6014 1 20 . 1 1 6 6 LEU N N 6 124.432 124.432 124.160 0.272 19198 6015 1 20 . 1 1 6 6 LEU HA H 6 4.345 4.345 4.629 -0.284 19198 6016 1 20 . 1 1 6 6 LEU CA C 6 52.051 52.051 53.900 -1.849 19198 6017 1 20 . 1 1 6 6 LEU CB C 6 39.833 39.833 43.328 -3.495 19198 6018 1 20 . 1 1 6 6 LEU H H 6 8.258 8.258 8.101 0.157 19198 6019 1 20 . 1 1 7 7 MET N N 7 122.420 122.420 119.030 3.390 19198 6020 1 20 . 1 1 7 7 MET HA H 7 4.529 4.529 4.625 -0.096 19198 6021 1 20 . 1 1 7 7 MET CA C 7 52.288 52.288 53.457 -1.169 19198 6022 1 20 . 1 1 7 7 MET CB C 7 30.827 30.827 32.971 -2.144 19198 6023 1 20 . 1 1 7 7 MET H H 7 8.284 8.284 8.262 0.022 19198 6024 1 20 . 1 1 8 8 LYS N N 8 124.204 124.204 123.222 0.982 19198 6025 1 20 . 1 1 8 8 LYS HA H 8 4.461 4.461 4.529 -0.068 19198 6026 1 20 . 1 1 8 8 LYS CA C 8 53.986 53.986 56.927 -2.941 19198 6027 1 20 . 1 1 8 8 LYS CB C 8 31.771 31.771 32.981 -1.210 19198 6028 1 20 . 1 1 8 8 LYS H H 8 9.420 9.420 8.621 0.799 19198 6029 1 20 . 1 1 9 9 THR N N 9 113.488 113.488 116.665 -3.177 19198 6030 1 20 . 1 1 9 9 THR HA H 9 4.366 4.366 4.444 -0.078 19198 6031 1 20 . 1 1 9 9 THR CA C 9 57.964 57.964 61.853 -3.889 19198 6032 1 20 . 1 1 9 9 THR CB C 9 68.912 68.912 70.863 -1.951 19198 6033 1 20 . 1 1 9 9 THR H H 9 8.817 8.817 8.416 0.401 19198 6034 1 20 . 1 1 10 10 GLN N N 10 121.509 121.509 121.554 -0.045 19198 6035 1 20 . 1 1 10 10 GLN HA H 10 3.012 3.012 3.247 -0.235 19198 6036 1 20 . 1 1 10 10 GLN CA C 10 57.666 57.666 59.682 -2.016 19198 6037 1 20 . 1 1 10 10 GLN CB C 10 24.850 24.850 27.744 -2.894 19198 6038 1 20 . 1 1 10 10 GLN H H 10 8.586 8.586 8.559 0.027 19198 6039 1 20 . 1 1 11 11 GLU N N 11 121.406 121.406 120.154 1.252 19198 6040 1 20 . 1 1 11 11 GLU HA H 11 3.801 3.801 3.928 -0.127 19198 6041 1 20 . 1 1 11 11 GLU CA C 11 57.739 57.739 59.866 -2.127 19198 6042 1 20 . 1 1 11 11 GLU CB C 11 26.332 26.332 29.115 -2.783 19198 6043 1 20 . 1 1 11 11 GLU H H 11 8.998 8.998 8.472 0.526 19198 6044 1 20 . 1 1 12 12 GLU N N 12 120.601 120.601 119.659 0.942 19198 6045 1 20 . 1 1 12 12 GLU HA H 12 3.864 3.864 3.999 -0.135 19198 6046 1 20 . 1 1 12 12 GLU CA C 12 56.542 56.542 59.359 -2.817 19198 6047 1 20 . 1 1 12 12 GLU CB C 12 27.796 27.796 29.653 -1.857 19198 6048 1 20 . 1 1 12 12 GLU H H 12 7.688 7.688 7.867 -0.179 19198 6049 1 20 . 1 1 13 13 LEU N N 13 117.867 117.867 119.761 -1.894 19198 6050 1 20 . 1 1 13 13 LEU HA H 13 3.755 3.755 3.877 -0.122 19198 6051 1 20 . 1 1 13 13 LEU CA C 13 54.855 54.855 58.121 -3.266 19198 6052 1 20 . 1 1 13 13 LEU CB C 13 40.140 40.140 41.579 -1.439 19198 6053 1 20 . 1 1 13 13 LEU H H 13 8.172 8.172 7.982 0.190 19198 6054 1 20 . 1 1 14 14 THR N N 14 115.136 115.136 114.903 0.233 19198 6055 1 20 . 1 1 14 14 THR HA H 14 3.256 3.256 3.906 -0.650 19198 6056 1 20 . 1 1 14 14 THR CA C 14 64.768 64.768 66.652 -1.884 19198 6057 1 20 . 1 1 14 14 THR CB C 14 65.545 65.545 68.008 -2.463 19198 6058 1 20 . 1 1 14 14 THR H H 14 8.166 8.166 8.123 0.043 19198 6059 1 20 . 1 1 15 15 GLU N N 15 120.674 120.674 121.536 -0.862 19198 6060 1 20 . 1 1 15 15 GLU HA H 15 3.857 3.857 4.063 -0.206 19198 6061 1 20 . 1 1 15 15 GLU CA C 15 56.467 56.467 59.384 -2.917 19198 6062 1 20 . 1 1 15 15 GLU CB C 15 26.370 26.370 29.309 -2.939 19198 6063 1 20 . 1 1 15 15 GLU H H 15 7.504 7.504 8.159 -0.655 19198 6064 1 20 . 1 1 16 16 ILE N N 16 119.946 119.946 120.875 -0.929 19198 6065 1 20 . 1 1 16 16 ILE HA H 16 3.602 3.602 3.589 0.013 19198 6066 1 20 . 1 1 16 16 ILE CA C 16 62.428 62.428 65.838 -3.410 19198 6067 1 20 . 1 1 16 16 ILE CB C 16 35.913 35.913 37.798 -1.885 19198 6068 1 20 . 1 1 16 16 ILE H H 16 7.162 7.162 8.514 -1.352 19198 6069 1 20 . 1 1 17 17 VAL N N 17 120.087 120.087 118.072 2.015 19198 6070 1 20 . 1 1 17 17 VAL HA H 17 3.001 3.001 3.393 -0.392 19198 6071 1 20 . 1 1 17 17 VAL CA C 17 64.706 64.706 65.479 -0.773 19198 6072 1 20 . 1 1 17 17 VAL CB C 17 28.391 28.391 30.490 -2.099 19198 6073 1 20 . 1 1 17 17 VAL H H 17 7.539 7.539 7.721 -0.181 19198 6074 1 20 . 1 1 18 18 ARG N N 18 121.099 121.099 120.922 0.177 19198 6075 1 20 . 1 1 18 18 ARG HA H 18 3.438 3.438 4.017 -0.579 19198 6076 1 20 . 1 1 18 18 ARG CA C 18 57.834 57.834 60.026 -2.192 19198 6077 1 20 . 1 1 18 18 ARG CB C 18 27.388 27.388 30.129 -2.741 19198 6078 1 20 . 1 1 18 18 ARG H H 18 8.708 8.708 8.239 0.469 19198 6079 1 20 . 1 1 19 19 ASP N N 19 118.955 118.955 117.967 0.988 19198 6080 1 20 . 1 1 19 19 ASP HA H 19 4.215 4.215 4.426 -0.211 19198 6081 1 20 . 1 1 19 19 ASP CA C 19 54.604 54.604 56.897 -2.293 19198 6082 1 20 . 1 1 19 19 ASP CB C 19 37.705 37.705 40.714 -3.009 19198 6083 1 20 . 1 1 19 19 ASP H H 19 8.286 8.286 7.984 0.302 19198 6084 1 20 . 1 1 20 20 HIS N N 20 116.419 116.419 117.266 -0.847 19198 6085 1 20 . 1 1 20 20 HIS HA H 20 4.147 4.147 4.317 -0.170 19198 6086 1 20 . 1 1 20 20 HIS CA C 20 56.243 56.243 58.751 -2.507 19198 6087 1 20 . 1 1 20 20 HIS CB C 20 26.196 26.196 30.215 -4.019 19198 6088 1 20 . 1 1 20 20 HIS H H 20 7.532 7.532 8.027 -0.495 19198 6089 1 20 . 1 1 21 21 PHE N N 21 116.347 116.347 117.136 -0.789 19198 6090 1 20 . 1 1 21 21 PHE HA H 21 4.463 4.463 4.767 -0.304 19198 6091 1 20 . 1 1 21 21 PHE CA C 21 58.279 58.279 57.597 0.682 19198 6092 1 20 . 1 1 21 21 PHE CB C 21 36.780 36.780 39.698 -2.918 19198 6093 1 20 . 1 1 21 21 PHE H H 21 7.983 7.983 8.059 -0.076 19198 6094 1 20 . 1 1 22 22 SER N N 22 116.555 116.555 116.905 -0.350 19198 6095 1 20 . 1 1 22 22 SER HA H 22 4.541 4.541 4.451 0.090 19198 6096 1 20 . 1 1 22 22 SER CA C 22 59.013 59.013 61.035 -2.022 19198 6097 1 20 . 1 1 22 22 SER CB C 22 60.225 60.225 63.023 -2.798 19198 6098 1 20 . 1 1 22 22 SER H H 22 8.578 8.578 7.830 0.748 19198 6099 1 20 . 1 1 23 23 ASP N N 23 118.564 118.564 121.772 -3.208 19198 6100 1 20 . 1 1 23 23 ASP HA H 23 4.581 4.581 4.566 0.015 19198 6101 1 20 . 1 1 23 23 ASP CA C 23 52.796 52.796 56.116 -3.320 19198 6102 1 20 . 1 1 23 23 ASP CB C 23 38.460 38.460 40.824 -2.364 19198 6103 1 20 . 1 1 23 23 ASP H H 23 7.246 7.246 8.572 -1.326 19198 6104 1 20 . 1 1 24 24 MET N N 24 116.378 116.378 116.125 0.253 19198 6105 1 20 . 1 1 24 24 MET HA H 24 4.207 4.207 4.790 -0.583 19198 6106 1 20 . 1 1 24 24 MET CA C 24 53.696 53.696 55.163 -1.467 19198 6107 1 20 . 1 1 24 24 MET CB C 24 32.101 32.101 34.712 -2.611 19198 6108 1 20 . 1 1 24 24 MET H H 24 7.958 7.958 7.837 0.121 19198 6109 1 20 . 1 1 25 25 GLY N N 25 107.470 107.470 107.435 0.035 19198 6110 1 20 . 1 1 25 25 GLY CA C 25 42.230 42.230 45.005 -2.775 19198 6111 1 20 . 1 1 25 25 GLY H H 25 7.475 7.475 7.638 -0.163 19198 6112 1 20 . 1 1 26 26 GLU N N 26 117.869 117.869 119.593 -1.724 19198 6113 1 20 . 1 1 26 26 GLU HA H 26 4.452 4.452 4.701 -0.249 19198 6114 1 20 . 1 1 26 26 GLU CA C 26 52.851 52.851 55.014 -2.163 19198 6115 1 20 . 1 1 26 26 GLU CB C 26 27.412 27.412 31.241 -3.829 19198 6116 1 20 . 1 1 26 26 GLU H H 26 8.397 8.397 8.643 -0.246 19198 6117 1 20 . 1 1 27 27 ILE N N 27 129.460 129.460 125.571 3.889 19198 6118 1 20 . 1 1 27 27 ILE HA H 27 3.206 3.206 3.470 -0.264 19198 6119 1 20 . 1 1 27 27 ILE CA C 27 61.133 61.133 60.898 0.235 19198 6120 1 20 . 1 1 27 27 ILE CB C 27 36.987 36.987 37.750 -0.763 19198 6121 1 20 . 1 1 27 27 ILE H H 27 8.980 8.980 8.604 0.376 19198 6122 1 20 . 1 1 28 28 ALA N N 28 131.875 131.875 131.316 0.559 19198 6123 1 20 . 1 1 28 28 ALA HA H 28 4.492 4.492 4.286 0.206 19198 6124 1 20 . 1 1 28 28 ALA CA C 28 50.949 50.949 53.391 -2.442 19198 6125 1 20 . 1 1 28 28 ALA CB C 28 17.101 17.101 20.201 -3.099 19198 6126 1 20 . 1 1 28 28 ALA H H 28 9.208 9.208 8.361 0.847 19198 6127 1 20 . 1 1 29 29 THR N N 29 112.070 112.070 115.502 -3.432 19198 6128 1 20 . 1 1 29 29 THR HA H 29 4.346 4.346 4.456 -0.110 19198 6129 1 20 . 1 1 29 29 THR CA C 29 58.963 58.963 61.473 -2.510 19198 6130 1 20 . 1 1 29 29 THR CB C 29 69.475 69.475 69.324 0.151 19198 6131 1 20 . 1 1 29 29 THR H H 29 7.803 7.803 7.847 -0.044 19198 6132 1 20 . 1 1 30 30 LEU N N 30 129.754 129.754 129.507 0.247 19198 6133 1 20 . 1 1 30 30 LEU HA H 30 4.878 4.878 4.676 0.202 19198 6134 1 20 . 1 1 30 30 LEU CA C 30 52.316 52.316 54.831 -2.515 19198 6135 1 20 . 1 1 30 30 LEU CB C 30 42.195 42.195 42.652 -0.457 19198 6136 1 20 . 1 1 30 30 LEU H H 30 8.388 8.388 8.639 -0.251 19198 6137 1 20 . 1 1 31 31 TYR N N 31 124.642 124.642 124.221 0.421 19198 6138 1 20 . 1 1 31 31 TYR HA H 31 5.108 5.108 4.854 0.254 19198 6139 1 20 . 1 1 31 31 TYR CA C 31 52.174 52.174 55.595 -3.421 19198 6140 1 20 . 1 1 31 31 TYR CB C 31 38.406 38.406 39.273 -0.867 19198 6141 1 20 . 1 1 31 31 TYR H H 31 8.837 8.837 8.507 0.330 19198 6142 1 20 . 1 1 32 32 VAL N N 32 121.165 121.165 120.261 0.904 19198 6143 1 20 . 1 1 32 32 VAL HA H 32 4.083 4.083 4.197 -0.114 19198 6144 1 20 . 1 1 32 32 VAL CA C 32 59.645 59.645 61.239 -1.594 19198 6145 1 20 . 1 1 32 32 VAL CB C 32 32.016 32.016 34.291 -2.275 19198 6146 1 20 . 1 1 32 32 VAL H H 32 8.684 8.684 8.040 0.644 19198 6147 1 20 . 1 1 33 33 GLN N N 33 126.911 126.911 125.929 0.982 19198 6148 1 20 . 1 1 33 33 GLN HA H 33 4.462 4.462 4.134 0.328 19198 6149 1 20 . 1 1 33 33 GLN CA C 33 54.266 54.266 56.688 -2.422 19198 6150 1 20 . 1 1 33 33 GLN CB C 33 28.717 28.717 29.709 -0.992 19198 6151 1 20 . 1 1 33 33 GLN H H 33 9.633 9.633 8.390 1.243 19198 6152 1 20 . 1 1 34 34 VAL N N 34 117.041 117.041 114.996 2.045 19198 6153 1 20 . 1 1 34 34 VAL HA H 34 4.313 4.313 4.313 -0.000 19198 6154 1 20 . 1 1 34 34 VAL CA C 34 59.270 59.270 61.045 -1.775 19198 6155 1 20 . 1 1 34 34 VAL CB C 34 33.725 33.725 32.367 1.358 19198 6156 1 20 . 1 1 34 34 VAL H H 34 7.840 7.840 7.319 0.521 19198 6157 1 20 . 1 1 35 35 TYR N N 35 128.263 128.263 128.245 0.018 19198 6158 1 20 . 1 1 35 35 TYR HA H 35 5.415 5.415 4.721 0.694 19198 6159 1 20 . 1 1 35 35 TYR CA C 35 52.594 52.594 55.670 -3.076 19198 6160 1 20 . 1 1 35 35 TYR CB C 35 38.583 38.583 38.841 -0.258 19198 6161 1 20 . 1 1 35 35 TYR H H 35 8.580 8.580 8.422 0.158 19198 6162 1 20 . 1 1 36 36 GLU N N 36 129.574 129.574 129.125 0.449 19198 6163 1 20 . 1 1 36 36 GLU HA H 36 4.403 4.403 4.241 0.162 19198 6164 1 20 . 1 1 36 36 GLU CA C 36 51.421 51.421 55.206 -3.785 19198 6165 1 20 . 1 1 36 36 GLU CB C 36 28.035 28.035 29.342 -1.307 19198 6166 1 20 . 1 1 36 36 GLU H H 36 8.118 8.118 8.344 -0.226 19198 6167 1 20 . 1 1 37 37 SER N N 37 121.805 121.805 121.786 0.019 19198 6168 1 20 . 1 1 37 37 SER HA H 37 3.754 3.754 3.378 0.376 19198 6169 1 20 . 1 1 37 37 SER CA C 37 57.817 57.817 59.646 -1.829 19198 6170 1 20 . 1 1 37 37 SER CB C 37 60.041 60.041 62.856 -2.815 19198 6171 1 20 . 1 1 37 37 SER H H 37 8.312 8.312 7.915 0.397 19198 6172 1 20 . 1 1 38 38 SER N N 38 116.337 116.337 114.049 2.288 19198 6173 1 20 . 1 1 38 38 SER HA H 38 4.214 4.214 4.526 -0.312 19198 6174 1 20 . 1 1 38 38 SER CA C 38 58.237 58.237 58.447 -0.210 19198 6175 1 20 . 1 1 38 38 SER CB C 38 60.243 60.243 64.386 -4.143 19198 6176 1 20 . 1 1 38 38 SER H H 38 8.389 8.389 7.531 0.858 19198 6177 1 20 . 1 1 39 39 LEU N N 39 119.070 119.070 119.696 -0.626 19198 6178 1 20 . 1 1 39 39 LEU HA H 39 4.414 4.414 4.498 -0.084 19198 6179 1 20 . 1 1 39 39 LEU CA C 39 51.365 51.365 53.820 -2.455 19198 6180 1 20 . 1 1 39 39 LEU CB C 39 40.504 40.504 45.377 -4.873 19198 6181 1 20 . 1 1 39 39 LEU H H 39 6.905 6.905 7.535 -0.630 19198 6182 1 20 . 1 1 40 40 GLU N N 40 118.837 118.837 120.613 -1.776 19198 6183 1 20 . 1 1 40 40 GLU HA H 40 3.781 3.781 4.658 -0.877 19198 6184 1 20 . 1 1 40 40 GLU CA C 40 54.621 54.621 55.644 -1.023 19198 6185 1 20 . 1 1 40 40 GLU CB C 40 26.307 26.307 28.732 -2.425 19198 6186 1 20 . 1 1 40 40 GLU H H 40 7.814 7.814 8.587 -0.773 19198 6187 1 20 . 1 1 41 41 SER N N 41 110.546 110.546 117.444 -6.898 19198 6188 1 20 . 1 1 41 41 SER HA H 41 5.730 5.730 5.193 0.537 19198 6189 1 20 . 1 1 41 41 SER CA C 41 52.696 52.696 56.862 -4.166 19198 6190 1 20 . 1 1 41 41 SER CB C 41 63.820 63.820 65.349 -1.529 19198 6191 1 20 . 1 1 41 41 SER H H 41 7.452 7.452 8.366 -0.914 19198 6192 1 20 . 1 1 42 42 LEU N N 42 124.649 124.649 129.318 -4.669 19198 6193 1 20 . 1 1 42 42 LEU HA H 42 5.384 5.384 4.883 0.501 19198 6194 1 20 . 1 1 42 42 LEU CA C 42 51.231 51.231 54.731 -3.500 19198 6195 1 20 . 1 1 42 42 LEU CB C 42 46.451 46.451 45.318 1.133 19198 6196 1 20 . 1 1 42 42 LEU H H 42 9.281 9.281 8.121 1.159 19198 6197 1 20 . 1 1 43 43 VAL N N 43 125.093 125.093 123.976 1.117 19198 6198 1 20 . 1 1 43 43 VAL HA H 43 4.629 4.629 4.968 -0.339 19198 6199 1 20 . 1 1 43 43 VAL CA C 43 58.185 58.185 60.306 -2.121 19198 6200 1 20 . 1 1 43 43 VAL CB C 43 33.136 33.136 35.683 -2.547 19198 6201 1 20 . 1 1 43 43 VAL H H 43 8.849 8.849 7.964 0.885 19198 6202 1 20 . 1 1 44 44 GLY N N 44 114.807 114.807 111.284 3.523 19198 6203 1 20 . 1 1 44 44 GLY CA C 44 43.685 43.685 45.112 -1.427 19198 6204 1 20 . 1 1 44 44 GLY H H 44 7.156 7.156 8.417 -1.261 19198 6205 1 20 . 1 1 45 45 GLY N N 45 117.443 117.443 109.179 8.264 19198 6206 1 20 . 1 1 45 45 GLY CA C 45 43.268 43.268 45.527 -2.259 19198 6207 1 20 . 1 1 45 45 GLY H H 45 8.582 8.582 7.771 0.811 19198 6208 1 20 . 1 1 46 46 VAL N N 46 117.075 117.075 119.490 -2.415 19198 6209 1 20 . 1 1 46 46 VAL HA H 46 4.726 4.726 4.590 0.136 19198 6210 1 20 . 1 1 46 46 VAL CA C 46 56.843 56.843 61.336 -4.492 19198 6211 1 20 . 1 1 46 46 VAL CB C 46 33.568 33.568 35.831 -2.264 19198 6212 1 20 . 1 1 46 46 VAL H H 46 8.875 8.875 8.153 0.722 19198 6213 1 20 . 1 1 47 47 ILE N N 47 125.899 125.899 129.213 -3.314 19198 6214 1 20 . 1 1 47 47 ILE HA H 47 4.778 4.778 4.726 0.052 19198 6215 1 20 . 1 1 47 47 ILE CB C 47 37.664 37.664 38.398 -0.734 19198 6216 1 20 . 1 1 47 47 ILE H H 47 8.765 8.765 8.131 0.634 19198 6217 1 20 . 1 1 48 48 PHE N N 48 126.624 126.624 127.350 -0.726 19198 6218 1 20 . 1 1 48 48 PHE HA H 48 4.777 4.777 4.731 0.046 19198 6219 1 20 . 1 1 48 48 PHE CA C 48 56.162 56.162 58.406 -2.244 19198 6220 1 20 . 1 1 48 48 PHE CB C 48 38.742 38.742 40.266 -1.524 19198 6221 1 20 . 1 1 48 48 PHE H H 48 9.269 9.269 9.210 0.059 19198 6222 1 20 . 1 1 49 49 GLU N N 49 123.550 123.550 121.878 1.672 19198 6223 1 20 . 1 1 49 49 GLU HA H 49 4.021 4.021 4.028 -0.007 19198 6224 1 20 . 1 1 49 49 GLU CA C 49 56.574 56.574 59.766 -3.192 19198 6225 1 20 . 1 1 49 49 GLU CB C 49 26.939 26.939 29.540 -2.601 19198 6226 1 20 . 1 1 49 49 GLU H H 49 9.331 9.331 8.452 0.879 19198 6227 1 20 . 1 1 50 50 ASP N N 50 113.383 113.383 115.881 -2.498 19198 6228 1 20 . 1 1 50 50 ASP HA H 50 4.443 4.443 4.611 -0.168 19198 6229 1 20 . 1 1 50 50 ASP CA C 50 51.307 51.307 54.439 -3.132 19198 6230 1 20 . 1 1 50 50 ASP CB C 50 38.062 38.062 41.445 -3.383 19198 6231 1 20 . 1 1 50 50 ASP H H 50 7.674 7.674 8.276 -0.602 19198 6232 1 20 . 1 1 51 51 GLY N N 51 107.745 107.745 108.102 -0.357 19198 6233 1 20 . 1 1 51 51 GLY CA C 51 42.245 42.245 44.883 -2.639 19198 6234 1 20 . 1 1 51 51 GLY H H 51 7.884 7.884 7.644 0.240 19198 6235 1 20 . 1 1 52 52 ARG N N 52 120.713 120.713 120.375 0.338 19198 6236 1 20 . 1 1 52 52 ARG HA H 52 4.292 4.292 4.464 -0.172 19198 6237 1 20 . 1 1 52 52 ARG CA C 52 55.314 55.314 54.215 1.099 19198 6238 1 20 . 1 1 52 52 ARG CB C 52 29.759 29.759 31.238 -1.479 19198 6239 1 20 . 1 1 52 52 ARG H H 52 7.880 7.880 7.558 0.322 19198 6240 1 20 . 1 1 53 53 HIS N N 53 120.216 120.216 123.797 -3.581 19198 6241 1 20 . 1 1 53 53 HIS HA H 53 5.671 5.671 5.685 -0.014 19198 6242 1 20 . 1 1 53 53 HIS CA C 53 50.579 50.579 53.498 -2.919 19198 6243 1 20 . 1 1 53 53 HIS CB C 53 29.165 29.165 32.694 -3.529 19198 6244 1 20 . 1 1 53 53 HIS H H 53 8.961 8.961 8.535 0.426 19198 6245 1 20 . 1 1 54 54 TYR N N 54 121.480 121.480 120.563 0.917 19198 6246 1 20 . 1 1 54 54 TYR HA H 54 5.574 5.574 4.480 1.094 19198 6247 1 20 . 1 1 54 54 TYR CA C 54 53.397 53.397 56.484 -3.087 19198 6248 1 20 . 1 1 54 54 TYR CB C 54 39.788 39.788 42.550 -2.762 19198 6249 1 20 . 1 1 54 54 TYR H H 54 9.259 9.259 7.980 1.279 19198 6250 1 20 . 1 1 55 55 THR N N 55 113.818 113.818 113.571 0.247 19198 6251 1 20 . 1 1 55 55 THR HA H 55 5.013 5.013 4.577 0.436 19198 6252 1 20 . 1 1 55 55 THR CA C 55 57.994 57.994 61.145 -3.151 19198 6253 1 20 . 1 1 55 55 THR CB C 55 67.733 67.733 68.729 -0.996 19198 6254 1 20 . 1 1 55 55 THR H H 55 9.242 9.242 8.426 0.816 19198 6255 1 20 . 1 1 56 56 PHE HA H 56 5.987 5.987 5.119 0.868 19198 6256 1 20 . 1 1 56 56 PHE CA C 56 53.946 53.946 58.135 -4.189 19198 6257 1 20 . 1 1 56 56 PHE CB C 56 42.416 42.416 39.984 2.432 19198 6258 1 20 . 1 1 57 57 VAL N N 57 120.407 120.407 124.545 -4.138 19198 6259 1 20 . 1 1 57 57 VAL HA H 57 4.683 4.683 4.393 0.290 19198 6260 1 20 . 1 1 57 57 VAL CA C 57 59.696 59.696 61.375 -1.679 19198 6261 1 20 . 1 1 57 57 VAL CB C 57 33.227 33.227 33.656 -0.429 19198 6262 1 20 . 1 1 57 57 VAL H H 57 9.076 9.076 9.390 -0.314 19198 6263 1 20 . 1 1 58 58 TYR N N 58 131.325 131.325 130.031 1.294 19198 6264 1 20 . 1 1 58 58 TYR HA H 58 5.504 5.504 5.106 0.398 19198 6265 1 20 . 1 1 58 58 TYR CA C 58 53.883 53.883 55.023 -1.140 19198 6266 1 20 . 1 1 58 58 TYR CB C 58 38.558 38.558 39.545 -0.987 19198 6267 1 20 . 1 1 58 58 TYR H H 58 9.821 9.821 8.473 1.348 19198 6268 1 20 . 1 1 59 59 GLU N N 59 123.904 123.904 126.443 -2.539 19198 6269 1 20 . 1 1 59 59 GLU HA H 59 4.519 4.519 4.333 0.186 19198 6270 1 20 . 1 1 59 59 GLU CA C 59 52.718 52.718 54.828 -2.110 19198 6271 1 20 . 1 1 59 59 GLU CB C 59 29.084 29.084 28.716 0.368 19198 6272 1 20 . 1 1 59 59 GLU H H 59 8.182 8.182 8.336 -0.154 19198 6273 1 20 . 1 1 60 60 ASN N N 60 123.227 123.227 123.955 -0.728 19198 6274 1 20 . 1 1 60 60 ASN HA H 60 4.247 4.247 4.142 0.105 19198 6275 1 20 . 1 1 60 60 ASN CA C 60 51.876 51.876 55.632 -3.756 19198 6276 1 20 . 1 1 60 60 ASN CB C 60 34.949 34.949 37.709 -2.760 19198 6277 1 20 . 1 1 60 60 ASN H H 60 9.566 9.566 8.492 1.074 19198 6278 1 20 . 1 1 61 61 GLU N N 61 107.647 107.647 114.805 -7.158 19198 6279 1 20 . 1 1 61 61 GLU HA H 61 3.500 3.500 4.385 -0.885 19198 6280 1 20 . 1 1 61 61 GLU CA C 61 54.765 54.765 55.843 -1.079 19198 6281 1 20 . 1 1 61 61 GLU CB C 61 25.167 25.167 32.223 -7.056 19198 6282 1 20 . 1 1 61 61 GLU H H 61 8.387 8.387 7.987 0.400 19198 6283 1 20 . 1 1 62 62 ASP N N 62 119.350 119.350 121.447 -2.097 19198 6284 1 20 . 1 1 62 62 ASP HA H 62 4.724 4.724 4.932 -0.208 19198 6285 1 20 . 1 1 62 62 ASP CB C 62 41.251 41.251 43.166 -1.915 19198 6286 1 20 . 1 1 62 62 ASP H H 62 7.314 7.314 7.750 -0.436 19198 6287 1 20 . 1 1 63 63 LEU N N 63 123.998 123.998 125.994 -1.996 19198 6288 1 20 . 1 1 63 63 LEU HA H 63 5.037 5.037 5.245 -0.208 19198 6289 1 20 . 1 1 63 63 LEU CA C 63 51.075 51.075 54.020 -2.945 19198 6290 1 20 . 1 1 63 63 LEU CB C 63 42.312 42.312 43.484 -1.173 19198 6291 1 20 . 1 1 63 63 LEU H H 63 8.226 8.226 8.739 -0.513 19198 6292 1 20 . 1 1 64 64 VAL N N 64 127.167 127.167 126.063 1.104 19198 6293 1 20 . 1 1 64 64 VAL HA H 64 4.361 4.361 4.653 -0.292 19198 6294 1 20 . 1 1 64 64 VAL CA C 64 58.470 58.470 60.831 -2.361 19198 6295 1 20 . 1 1 64 64 VAL CB C 64 31.939 31.939 35.702 -3.763 19198 6296 1 20 . 1 1 64 64 VAL H H 64 8.915 8.915 8.892 0.023 19198 6297 1 20 . 1 1 65 65 TYR N N 65 121.421 121.421 118.313 3.108 19198 6298 1 20 . 1 1 65 65 TYR HA H 65 5.893 5.893 5.613 0.280 19198 6299 1 20 . 1 1 65 65 TYR CA C 65 53.115 53.115 56.795 -3.680 19198 6300 1 20 . 1 1 65 65 TYR CB C 65 39.948 39.948 40.126 -0.178 19198 6301 1 20 . 1 1 65 65 TYR H H 65 8.207 8.207 8.118 0.089 19198 6302 1 20 . 1 1 66 66 GLU N N 66 117.842 117.842 120.068 -2.226 19198 6303 1 20 . 1 1 66 66 GLU HA H 66 4.793 4.793 4.665 0.128 19198 6304 1 20 . 1 1 66 66 GLU CB C 66 30.949 30.949 32.103 -1.154 19198 6305 1 20 . 1 1 66 66 GLU H H 66 8.875 8.875 9.140 -0.265 19198 6306 1 20 . 1 1 67 67 GLU N N 67 125.220 125.220 119.141 6.079 19198 6307 1 20 . 1 1 67 67 GLU HA H 67 4.084 4.084 4.578 -0.494 19198 6308 1 20 . 1 1 67 67 GLU CA C 67 54.157 54.157 56.702 -2.545 19198 6309 1 20 . 1 1 67 67 GLU CB C 67 27.697 27.697 32.196 -4.499 19198 6310 1 20 . 1 1 67 67 GLU H H 67 9.033 9.033 8.457 0.576 19198 6311 1 20 . 1 1 68 68 GLU N N 68 127.058 127.058 125.294 1.764 19198 6312 1 20 . 1 1 68 68 GLU HA H 68 4.358 4.358 4.613 -0.255 19198 6313 1 20 . 1 1 68 68 GLU CA C 68 53.193 53.193 55.783 -2.591 19198 6314 1 20 . 1 1 68 68 GLU CB C 68 28.405 28.405 31.441 -3.036 19198 6315 1 20 . 1 1 68 68 GLU H H 68 8.546 8.546 8.184 0.362 19198 6316 1 20 . 1 1 69 69 VAL N N 69 125.782 125.782 122.339 3.443 19198 6317 1 20 . 1 1 69 69 VAL HA H 69 4.046 4.046 4.388 -0.342 19198 6318 1 20 . 1 1 69 69 VAL CA C 69 59.775 59.775 61.703 -1.928 19198 6319 1 20 . 1 1 69 69 VAL CB C 69 30.174 30.174 32.676 -2.502 19198 6320 1 20 . 1 1 69 69 VAL H H 69 8.422 8.422 8.544 -0.122 19198 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 66 2.954 0.015 2.977 19198 2 1 1 "Average Difference" HA 61 0.418 0.071 0.415 19198 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19198 4 1 1 "Average Difference" CA 62 2.658 2.404 1.141 19198 5 1 1 "Average Difference" CB 61 2.528 2.150 1.341 19198 6 1 1 "Average Difference" HN 66 0.614 -0.122 0.607 19198 7 1 2 "Average Difference" N 66 2.703 -0.051 2.723 19198 8 1 2 "Average Difference" HA 61 0.415 0.068 0.413 19198 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19198 10 1 2 "Average Difference" CA 62 2.611 2.320 1.207 19198 11 1 2 "Average Difference" CB 61 2.575 2.138 1.447 19198 12 1 2 "Average Difference" HN 66 0.590 -0.146 0.576 19198 13 1 3 "Average Difference" N 66 3.271 -0.164 3.292 19198 14 1 3 "Average Difference" HA 61 0.405 0.077 0.401 19198 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19198 16 1 3 "Average Difference" CA 62 2.520 2.247 1.151 19198 17 1 3 "Average Difference" CB 61 2.594 2.121 1.505 19198 18 1 3 "Average Difference" HN 66 0.594 -0.103 0.589 19198 19 1 4 "Average Difference" N 66 3.196 0.170 3.216 19198 20 1 4 "Average Difference" HA 61 0.444 0.016 0.448 19198 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19198 22 1 4 "Average Difference" CA 62 2.634 2.391 1.114 19198 23 1 4 "Average Difference" CB 61 2.439 1.940 1.492 19198 24 1 4 "Average Difference" HN 66 0.558 -0.129 0.547 19198 25 1 5 "Average Difference" N 66 2.707 0.337 2.706 19198 26 1 5 "Average Difference" HA 61 0.433 0.022 0.436 19198 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19198 28 1 5 "Average Difference" CA 62 2.666 2.368 1.235 19198 29 1 5 "Average Difference" CB 61 2.604 2.130 1.510 19198 30 1 5 "Average Difference" HN 66 0.583 -0.114 0.576 19198 31 1 6 "Average Difference" N 66 2.843 -0.052 2.865 19198 32 1 6 "Average Difference" HA 61 0.409 0.020 0.412 19198 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19198 34 1 6 "Average Difference" CA 62 2.630 2.403 1.077 19198 35 1 6 "Average Difference" CB 61 2.619 2.022 1.679 19198 36 1 6 "Average Difference" HN 66 0.566 -0.142 0.552 19198 37 1 7 "Average Difference" N 66 2.818 0.334 2.820 19198 38 1 7 "Average Difference" HA 61 0.415 0.050 0.415 19198 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19198 40 1 7 "Average Difference" CA 62 2.683 2.394 1.220 19198 41 1 7 "Average Difference" CB 61 2.500 2.084 1.392 19198 42 1 7 "Average Difference" HN 66 0.585 -0.130 0.575 19198 43 1 8 "Average Difference" N 66 2.722 0.110 2.741 19198 44 1 8 "Average Difference" HA 61 0.431 0.066 0.430 19198 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19198 46 1 8 "Average Difference" CA 62 2.685 2.393 1.228 19198 47 1 8 "Average Difference" CB 61 2.718 2.118 1.717 19198 48 1 8 "Average Difference" HN 66 0.597 -0.164 0.579 19198 49 1 9 "Average Difference" N 66 2.776 0.234 2.788 19198 50 1 9 "Average Difference" HA 61 0.431 0.020 0.434 19198 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19198 52 1 9 "Average Difference" CA 62 2.641 2.385 1.142 19198 53 1 9 "Average Difference" CB 61 2.582 2.218 1.333 19198 54 1 9 "Average Difference" HN 66 0.608 -0.185 0.584 19198 55 1 10 "Average Difference" N 66 3.222 -0.330 3.230 19198 56 1 10 "Average Difference" HA 61 0.459 0.054 0.459 19198 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19198 58 1 10 "Average Difference" CA 62 2.624 2.379 1.115 19198 59 1 10 "Average Difference" CB 61 2.594 2.142 1.476 19198 60 1 10 "Average Difference" HN 66 0.591 -0.123 0.583 19198 61 1 11 "Average Difference" N 66 2.966 0.389 2.963 19198 62 1 11 "Average Difference" HA 61 0.418 0.054 0.418 19198 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19198 64 1 11 "Average Difference" CA 62 2.557 2.274 1.178 19198 65 1 11 "Average Difference" CB 61 2.499 2.073 1.407 19198 66 1 11 "Average Difference" HN 66 0.623 -0.143 0.611 19198 67 1 12 "Average Difference" N 66 2.971 0.005 2.994 19198 68 1 12 "Average Difference" HA 61 0.428 0.075 0.425 19198 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19198 70 1 12 "Average Difference" CA 62 2.672 2.415 1.152 19198 71 1 12 "Average Difference" CB 61 2.779 2.317 1.547 19198 72 1 12 "Average Difference" HN 66 0.559 -0.114 0.551 19198 73 1 13 "Average Difference" N 66 3.136 -0.077 3.159 19198 74 1 13 "Average Difference" HA 61 0.421 0.072 0.418 19198 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19198 76 1 13 "Average Difference" CA 62 2.627 2.385 1.111 19198 77 1 13 "Average Difference" CB 61 2.643 2.148 1.553 19198 78 1 13 "Average Difference" HN 66 0.571 -0.097 0.567 19198 79 1 14 "Average Difference" N 66 3.139 0.034 3.163 19198 80 1 14 "Average Difference" HA 61 0.423 0.073 0.420 19198 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19198 82 1 14 "Average Difference" CA 62 2.489 2.214 1.146 19198 83 1 14 "Average Difference" CB 61 2.618 2.166 1.483 19198 84 1 14 "Average Difference" HN 66 0.584 -0.060 0.585 19198 85 1 15 "Average Difference" N 66 2.957 -0.071 2.979 19198 86 1 15 "Average Difference" HA 61 0.392 0.028 0.394 19198 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19198 88 1 15 "Average Difference" CA 62 2.615 2.390 1.070 19198 89 1 15 "Average Difference" CB 61 2.511 2.045 1.469 19198 90 1 15 "Average Difference" HN 66 0.613 -0.177 0.591 19198 91 1 16 "Average Difference" N 66 2.929 0.460 2.915 19198 92 1 16 "Average Difference" HA 61 0.418 0.062 0.416 19198 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19198 94 1 16 "Average Difference" CA 62 2.627 2.377 1.128 19198 95 1 16 "Average Difference" CB 61 2.550 2.076 1.493 19198 96 1 16 "Average Difference" HN 66 0.597 -0.142 0.585 19198 97 1 17 "Average Difference" N 66 3.004 -0.162 3.022 19198 98 1 17 "Average Difference" HA 61 0.444 0.037 0.446 19198 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19198 100 1 17 "Average Difference" CA 62 2.568 2.286 1.179 19198 101 1 17 "Average Difference" CB 61 2.647 2.160 1.542 19198 102 1 17 "Average Difference" HN 66 0.600 -0.185 0.576 19198 103 1 18 "Average Difference" N 66 2.882 0.149 2.900 19198 104 1 18 "Average Difference" HA 61 0.425 0.076 0.422 19198 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19198 106 1 18 "Average Difference" CA 62 2.448 2.209 1.064 19198 107 1 18 "Average Difference" CB 61 2.542 1.998 1.585 19198 108 1 18 "Average Difference" HN 66 0.623 -0.131 0.613 19198 109 1 19 "Average Difference" N 66 2.931 0.395 2.927 19198 110 1 19 "Average Difference" HA 61 0.404 0.005 0.407 19198 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19198 112 1 19 "Average Difference" CA 62 2.674 2.427 1.130 19198 113 1 19 "Average Difference" CB 61 2.597 2.053 1.603 19198 114 1 19 "Average Difference" HN 66 0.592 -0.146 0.578 19198 115 1 20 "Average Difference" N 66 2.607 0.074 2.626 19198 116 1 20 "Average Difference" HA 61 0.370 0.042 0.370 19198 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19198 118 1 20 "Average Difference" CA 62 2.595 2.350 1.111 19198 119 1 20 "Average Difference" CB 61 2.566 2.046 1.561 19198 120 1 20 "Average Difference" HN 66 0.628 -0.163 0.611 19198 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 19198 _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 3 3 ASP N N 3 120.996 120.996 120.280 0.716 19198 2 1 . 1 1 3 3 ASP H H 3 8.416 8.416 8.325 0.091 19198 3 1 . 1 1 4 4 ARG N N 4 120.957 120.957 120.471 0.486 19198 4 1 . 1 1 4 4 ARG H H 4 8.187 8.187 8.147 0.040 19198 5 1 . 1 1 5 5 LYS N N 5 122.746 122.746 122.091 0.655 19198 6 1 . 1 1 5 5 LYS HA H 5 4.209 4.209 4.444 -0.235 19198 7 1 . 1 1 5 5 LYS CA C 5 53.562 53.562 56.278 -2.716 19198 8 1 . 1 1 5 5 LYS CB C 5 30.595 30.595 32.678 -2.084 19198 9 1 . 1 1 5 5 LYS H H 5 8.223 8.223 8.189 0.034 19198 10 1 . 1 1 6 6 LEU N N 6 124.432 124.432 123.474 0.958 19198 11 1 . 1 1 6 6 LEU HA H 6 4.345 4.345 4.719 -0.374 19198 12 1 . 1 1 6 6 LEU CA C 6 52.051 52.051 53.990 -1.939 19198 13 1 . 1 1 6 6 LEU CB C 6 39.833 39.833 43.257 -3.424 19198 14 1 . 1 1 6 6 LEU H H 6 8.258 8.258 8.277 -0.019 19198 15 1 . 1 1 7 7 MET N N 7 122.420 122.420 120.056 2.364 19198 16 1 . 1 1 7 7 MET HA H 7 4.529 4.529 4.691 -0.162 19198 17 1 . 1 1 7 7 MET CA C 7 52.288 52.288 54.463 -2.175 19198 18 1 . 1 1 7 7 MET CB C 7 30.827 30.827 33.287 -2.460 19198 19 1 . 1 1 7 7 MET H H 7 8.284 8.284 8.266 0.018 19198 20 1 . 1 1 8 8 LYS N N 8 124.204 124.204 120.853 3.351 19198 21 1 . 1 1 8 8 LYS HA H 8 4.461 4.461 4.404 0.057 19198 22 1 . 1 1 8 8 LYS CA C 8 53.986 53.986 56.634 -2.648 19198 23 1 . 1 1 8 8 LYS CB C 8 31.771 31.771 33.031 -1.260 19198 24 1 . 1 1 8 8 LYS H H 8 9.420 9.420 8.495 0.925 19198 25 1 . 1 1 9 9 THR N N 9 113.488 113.488 110.295 3.193 19198 26 1 . 1 1 9 9 THR HA H 9 4.366 4.366 4.675 -0.309 19198 27 1 . 1 1 9 9 THR CA C 9 57.964 57.964 60.356 -2.392 19198 28 1 . 1 1 9 9 THR CB C 9 68.912 68.912 71.645 -2.733 19198 29 1 . 1 1 9 9 THR H H 9 8.817 8.817 8.072 0.744 19198 30 1 . 1 1 10 10 GLN N N 10 121.509 121.509 121.088 0.421 19198 31 1 . 1 1 10 10 GLN HA H 10 3.012 3.012 3.569 -0.557 19198 32 1 . 1 1 10 10 GLN CA C 10 57.666 57.666 59.816 -2.150 19198 33 1 . 1 1 10 10 GLN CB C 10 24.850 24.850 28.013 -3.163 19198 34 1 . 1 1 10 10 GLN H H 10 8.586 8.586 8.643 -0.057 19198 35 1 . 1 1 11 11 GLU N N 11 121.406 121.406 119.526 1.880 19198 36 1 . 1 1 11 11 GLU HA H 11 3.801 3.801 3.944 -0.143 19198 37 1 . 1 1 11 11 GLU CA C 11 57.739 57.739 59.799 -2.060 19198 38 1 . 1 1 11 11 GLU CB C 11 26.332 26.332 29.113 -2.781 19198 39 1 . 1 1 11 11 GLU H H 11 8.998 8.998 8.480 0.518 19198 40 1 . 1 1 12 12 GLU N N 12 120.601 120.601 119.712 0.890 19198 41 1 . 1 1 12 12 GLU HA H 12 3.864 3.864 4.027 -0.163 19198 42 1 . 1 1 12 12 GLU CA C 12 56.542 56.542 59.380 -2.838 19198 43 1 . 1 1 12 12 GLU CB C 12 27.796 27.796 29.637 -1.841 19198 44 1 . 1 1 12 12 GLU H H 12 7.688 7.688 7.720 -0.032 19198 45 1 . 1 1 13 13 LEU N N 13 117.867 117.867 119.201 -1.334 19198 46 1 . 1 1 13 13 LEU HA H 13 3.755 3.755 4.077 -0.322 19198 47 1 . 1 1 13 13 LEU CA C 13 54.855 54.855 58.010 -3.155 19198 48 1 . 1 1 13 13 LEU CB C 13 40.140 40.140 41.347 -1.207 19198 49 1 . 1 1 13 13 LEU H H 13 8.172 8.172 8.205 -0.033 19198 50 1 . 1 1 14 14 THR N N 14 115.136 115.136 115.702 -0.566 19198 51 1 . 1 1 14 14 THR HA H 14 3.256 3.256 3.977 -0.721 19198 52 1 . 1 1 14 14 THR CA C 14 64.768 64.768 67.146 -2.378 19198 53 1 . 1 1 14 14 THR CB C 14 65.545 65.545 68.445 -2.900 19198 54 1 . 1 1 14 14 THR H H 14 8.166 8.166 8.040 0.126 19198 55 1 . 1 1 15 15 GLU N N 15 120.674 120.674 121.730 -1.056 19198 56 1 . 1 1 15 15 GLU HA H 15 3.857 3.857 4.052 -0.195 19198 57 1 . 1 1 15 15 GLU CA C 15 56.467 56.467 59.425 -2.958 19198 58 1 . 1 1 15 15 GLU CB C 15 26.370 26.370 29.240 -2.870 19198 59 1 . 1 1 15 15 GLU H H 15 7.504 7.504 8.268 -0.764 19198 60 1 . 1 1 16 16 ILE N N 16 119.946 119.946 120.474 -0.528 19198 61 1 . 1 1 16 16 ILE HA H 16 3.602 3.602 3.564 0.038 19198 62 1 . 1 1 16 16 ILE CA C 16 62.428 62.428 65.625 -3.197 19198 63 1 . 1 1 16 16 ILE CB C 16 35.913 35.913 37.722 -1.809 19198 64 1 . 1 1 16 16 ILE H H 16 7.162 7.162 8.420 -1.258 19198 65 1 . 1 1 17 17 VAL N N 17 120.087 120.087 118.309 1.778 19198 66 1 . 1 1 17 17 VAL HA H 17 3.001 3.001 3.654 -0.653 19198 67 1 . 1 1 17 17 VAL CA C 17 64.706 64.706 66.211 -1.505 19198 68 1 . 1 1 17 17 VAL CB C 17 28.391 28.391 31.315 -2.924 19198 69 1 . 1 1 17 17 VAL H H 17 7.539 7.539 7.465 0.074 19198 70 1 . 1 1 18 18 ARG N N 18 121.099 121.099 120.595 0.504 19198 71 1 . 1 1 18 18 ARG HA H 18 3.438 3.438 4.030 -0.592 19198 72 1 . 1 1 18 18 ARG CA C 18 57.834 57.834 59.970 -2.136 19198 73 1 . 1 1 18 18 ARG CB C 18 27.388 27.388 30.162 -2.774 19198 74 1 . 1 1 18 18 ARG H H 18 8.708 8.708 8.408 0.300 19198 75 1 . 1 1 19 19 ASP N N 19 118.955 118.955 117.628 1.327 19198 76 1 . 1 1 19 19 ASP HA H 19 4.215 4.215 4.466 -0.251 19198 77 1 . 1 1 19 19 ASP CA C 19 54.604 54.604 56.671 -2.067 19198 78 1 . 1 1 19 19 ASP CB C 19 37.705 37.705 40.755 -3.050 19198 79 1 . 1 1 19 19 ASP H H 19 8.286 8.286 8.344 -0.058 19198 80 1 . 1 1 20 20 HIS N N 20 116.419 116.419 116.870 -0.451 19198 81 1 . 1 1 20 20 HIS HA H 20 4.147 4.147 4.460 -0.313 19198 82 1 . 1 1 20 20 HIS CA C 20 56.243 56.243 58.096 -1.853 19198 83 1 . 1 1 20 20 HIS CB C 20 26.196 26.196 30.625 -4.429 19198 84 1 . 1 1 20 20 HIS H H 20 7.532 7.532 7.945 -0.413 19198 85 1 . 1 1 21 21 PHE N N 21 116.347 116.347 119.631 -3.284 19198 86 1 . 1 1 21 21 PHE HA H 21 4.463 4.463 4.730 -0.267 19198 87 1 . 1 1 21 21 PHE CA C 21 58.279 58.279 58.071 0.207 19198 88 1 . 1 1 21 21 PHE CB C 21 36.780 36.780 39.920 -3.140 19198 89 1 . 1 1 21 21 PHE H H 21 7.983 7.983 8.255 -0.272 19198 90 1 . 1 1 22 22 SER N N 22 116.555 116.555 116.521 0.034 19198 91 1 . 1 1 22 22 SER HA H 22 4.541 4.541 4.290 0.251 19198 92 1 . 1 1 22 22 SER CA C 22 59.013 59.013 61.209 -2.196 19198 93 1 . 1 1 22 22 SER CB C 22 60.225 60.225 62.947 -2.722 19198 94 1 . 1 1 22 22 SER H H 22 8.578 8.578 8.369 0.209 19198 95 1 . 1 1 23 23 ASP N N 23 118.564 118.564 120.604 -2.040 19198 96 1 . 1 1 23 23 ASP HA H 23 4.581 4.581 4.722 -0.141 19198 97 1 . 1 1 23 23 ASP CA C 23 52.796 52.796 55.443 -2.648 19198 98 1 . 1 1 23 23 ASP CB C 23 38.460 38.460 41.173 -2.713 19198 99 1 . 1 1 23 23 ASP H H 23 7.246 7.246 8.247 -1.001 19198 100 1 . 1 1 24 24 MET N N 24 116.378 116.378 117.495 -1.117 19198 101 1 . 1 1 24 24 MET HA H 24 4.207 4.207 4.720 -0.513 19198 102 1 . 1 1 24 24 MET CA C 24 53.696 53.696 55.321 -1.625 19198 103 1 . 1 1 24 24 MET CB C 24 32.101 32.101 34.126 -2.025 19198 104 1 . 1 1 24 24 MET H H 24 7.958 7.958 7.937 0.021 19198 105 1 . 1 1 25 25 GLY N N 25 107.470 107.470 107.994 -0.524 19198 106 1 . 1 1 25 25 GLY CA C 25 42.230 42.230 44.864 -2.634 19198 107 1 . 1 1 25 25 GLY H H 25 7.475 7.475 7.599 -0.124 19198 108 1 . 1 1 26 26 GLU N N 26 117.869 117.869 120.579 -2.710 19198 109 1 . 1 1 26 26 GLU HA H 26 4.452 4.452 4.377 0.075 19198 110 1 . 1 1 26 26 GLU CA C 26 52.851 52.851 54.713 -1.862 19198 111 1 . 1 1 26 26 GLU CB C 26 27.412 27.412 30.671 -3.259 19198 112 1 . 1 1 26 26 GLU H H 26 8.397 8.397 8.101 0.297 19198 113 1 . 1 1 27 27 ILE N N 27 129.460 129.460 123.886 5.574 19198 114 1 . 1 1 27 27 ILE HA H 27 3.206 3.206 3.351 -0.145 19198 115 1 . 1 1 27 27 ILE CA C 27 61.133 61.133 62.094 -0.961 19198 116 1 . 1 1 27 27 ILE CB C 27 36.987 36.987 37.703 -0.716 19198 117 1 . 1 1 27 27 ILE H H 27 8.980 8.980 8.249 0.731 19198 118 1 . 1 1 28 28 ALA N N 28 131.875 131.875 130.995 0.880 19198 119 1 . 1 1 28 28 ALA HA H 28 4.492 4.492 4.299 0.193 19198 120 1 . 1 1 28 28 ALA CA C 28 50.949 50.949 53.490 -2.541 19198 121 1 . 1 1 28 28 ALA CB C 28 17.101 17.101 20.016 -2.915 19198 122 1 . 1 1 28 28 ALA H H 28 9.208 9.208 8.673 0.535 19198 123 1 . 1 1 29 29 THR N N 29 112.070 112.070 115.103 -3.033 19198 124 1 . 1 1 29 29 THR HA H 29 4.346 4.346 4.468 -0.122 19198 125 1 . 1 1 29 29 THR CA C 29 58.963 58.963 61.861 -2.898 19198 126 1 . 1 1 29 29 THR CB C 29 69.475 69.475 69.973 -0.498 19198 127 1 . 1 1 29 29 THR H H 29 7.803 7.803 7.923 -0.120 19198 128 1 . 1 1 30 30 LEU N N 30 129.754 129.754 129.239 0.515 19198 129 1 . 1 1 30 30 LEU HA H 30 4.878 4.878 4.665 0.213 19198 130 1 . 1 1 30 30 LEU CA C 30 52.316 52.316 54.692 -2.376 19198 131 1 . 1 1 30 30 LEU CB C 30 42.195 42.195 43.126 -0.931 19198 132 1 . 1 1 30 30 LEU H H 30 8.388 8.388 8.623 -0.235 19198 133 1 . 1 1 31 31 TYR N N 31 124.642 124.642 124.995 -0.353 19198 134 1 . 1 1 31 31 TYR HA H 31 5.108 5.108 4.849 0.259 19198 135 1 . 1 1 31 31 TYR CA C 31 52.174 52.174 55.844 -3.670 19198 136 1 . 1 1 31 31 TYR CB C 31 38.406 38.406 39.533 -1.127 19198 137 1 . 1 1 31 31 TYR H H 31 8.837 8.837 8.600 0.237 19198 138 1 . 1 1 32 32 VAL N N 32 121.165 121.165 120.048 1.117 19198 139 1 . 1 1 32 32 VAL HA H 32 4.083 4.083 4.285 -0.202 19198 140 1 . 1 1 32 32 VAL CA C 32 59.645 59.645 61.073 -1.428 19198 141 1 . 1 1 32 32 VAL CB C 32 32.016 32.016 34.289 -2.273 19198 142 1 . 1 1 32 32 VAL H H 32 8.684 8.684 8.224 0.460 19198 143 1 . 1 1 33 33 GLN N N 33 126.911 126.911 125.937 0.974 19198 144 1 . 1 1 33 33 GLN HA H 33 4.462 4.462 4.295 0.167 19198 145 1 . 1 1 33 33 GLN CA C 33 54.266 54.266 56.343 -2.077 19198 146 1 . 1 1 33 33 GLN CB C 33 28.717 28.717 29.851 -1.134 19198 147 1 . 1 1 33 33 GLN H H 33 9.633 9.633 8.448 1.185 19198 148 1 . 1 1 34 34 VAL N N 34 117.041 117.041 116.239 0.802 19198 149 1 . 1 1 34 34 VAL HA H 34 4.313 4.313 4.333 -0.020 19198 150 1 . 1 1 34 34 VAL CA C 34 59.270 59.270 61.438 -2.168 19198 151 1 . 1 1 34 34 VAL CB C 34 33.725 33.725 33.283 0.442 19198 152 1 . 1 1 34 34 VAL H H 34 7.840 7.840 7.411 0.429 19198 153 1 . 1 1 35 35 TYR N N 35 128.263 128.263 128.308 -0.045 19198 154 1 . 1 1 35 35 TYR HA H 35 5.415 5.415 4.880 0.535 19198 155 1 . 1 1 35 35 TYR CA C 35 52.594 52.594 55.936 -3.342 19198 156 1 . 1 1 35 35 TYR CB C 35 38.583 38.583 39.605 -1.022 19198 157 1 . 1 1 35 35 TYR H H 35 8.580 8.580 8.483 0.097 19198 158 1 . 1 1 36 36 GLU N N 36 129.574 129.574 128.003 1.571 19198 159 1 . 1 1 36 36 GLU HA H 36 4.403 4.403 4.274 0.129 19198 160 1 . 1 1 36 36 GLU CA C 36 51.421 51.421 55.215 -3.794 19198 161 1 . 1 1 36 36 GLU CB C 36 28.035 28.035 29.476 -1.441 19198 162 1 . 1 1 36 36 GLU H H 36 8.118 8.118 8.276 -0.158 19198 163 1 . 1 1 37 37 SER N N 37 121.805 121.805 120.537 1.268 19198 164 1 . 1 1 37 37 SER HA H 37 3.754 3.754 3.969 -0.215 19198 165 1 . 1 1 37 37 SER CA C 37 57.817 57.817 59.584 -1.767 19198 166 1 . 1 1 37 37 SER CB C 37 60.041 60.041 63.272 -3.231 19198 167 1 . 1 1 37 37 SER H H 37 8.312 8.312 8.309 0.003 19198 168 1 . 1 1 38 38 SER N N 38 116.337 116.337 114.633 1.704 19198 169 1 . 1 1 38 38 SER HA H 38 4.214 4.214 4.564 -0.350 19198 170 1 . 1 1 38 38 SER CA C 38 58.237 58.237 58.496 -0.259 19198 171 1 . 1 1 38 38 SER CB C 38 60.243 60.243 64.073 -3.830 19198 172 1 . 1 1 38 38 SER H H 38 8.389 8.389 7.987 0.402 19198 173 1 . 1 1 39 39 LEU N N 39 119.070 119.070 120.213 -1.143 19198 174 1 . 1 1 39 39 LEU HA H 39 4.414 4.414 4.553 -0.139 19198 175 1 . 1 1 39 39 LEU CA C 39 51.365 51.365 53.709 -2.344 19198 176 1 . 1 1 39 39 LEU CB C 39 40.504 40.504 44.716 -4.212 19198 177 1 . 1 1 39 39 LEU H H 39 6.905 6.905 7.246 -0.341 19198 178 1 . 1 1 40 40 GLU N N 40 118.837 118.837 120.141 -1.304 19198 179 1 . 1 1 40 40 GLU HA H 40 3.781 3.781 4.612 -0.831 19198 180 1 . 1 1 40 40 GLU CA C 40 54.621 54.621 55.847 -1.226 19198 181 1 . 1 1 40 40 GLU CB C 40 26.307 26.307 29.317 -3.010 19198 182 1 . 1 1 40 40 GLU H H 40 7.814 7.814 8.578 -0.764 19198 183 1 . 1 1 41 41 SER N N 41 110.546 110.546 116.567 -6.021 19198 184 1 . 1 1 41 41 SER HA H 41 5.730 5.730 5.099 0.631 19198 185 1 . 1 1 41 41 SER CA C 41 52.696 52.696 57.107 -4.410 19198 186 1 . 1 1 41 41 SER CB C 41 63.820 63.820 65.628 -1.808 19198 187 1 . 1 1 41 41 SER H H 41 7.452 7.452 8.203 -0.750 19198 188 1 . 1 1 42 42 LEU N N 42 124.649 124.649 127.019 -2.370 19198 189 1 . 1 1 42 42 LEU HA H 42 5.384 5.384 4.883 0.501 19198 190 1 . 1 1 42 42 LEU CA C 42 51.231 51.231 54.563 -3.332 19198 191 1 . 1 1 42 42 LEU CB C 42 46.451 46.451 45.144 1.307 19198 192 1 . 1 1 42 42 LEU H H 42 9.281 9.281 8.360 0.921 19198 193 1 . 1 1 43 43 VAL N N 43 125.093 125.093 123.787 1.306 19198 194 1 . 1 1 43 43 VAL HA H 43 4.629 4.629 5.116 -0.487 19198 195 1 . 1 1 43 43 VAL CA C 43 58.185 58.185 60.131 -1.946 19198 196 1 . 1 1 43 43 VAL CB C 43 33.136 33.136 35.532 -2.396 19198 197 1 . 1 1 43 43 VAL H H 43 8.849 8.849 8.090 0.759 19198 198 1 . 1 1 44 44 GLY N N 44 114.807 114.807 110.095 4.712 19198 199 1 . 1 1 44 44 GLY CA C 44 43.685 43.685 45.257 -1.572 19198 200 1 . 1 1 44 44 GLY H H 44 7.156 7.156 8.504 -1.348 19198 201 1 . 1 1 45 45 GLY N N 45 117.443 117.443 109.203 8.240 19198 202 1 . 1 1 45 45 GLY CA C 45 43.268 43.268 45.636 -2.368 19198 203 1 . 1 1 45 45 GLY H H 45 8.582 8.582 7.833 0.749 19198 204 1 . 1 1 46 46 VAL N N 46 117.075 117.075 117.541 -0.466 19198 205 1 . 1 1 46 46 VAL HA H 46 4.726 4.726 4.795 -0.069 19198 206 1 . 1 1 46 46 VAL CA C 46 56.843 56.843 60.559 -3.716 19198 207 1 . 1 1 46 46 VAL CB C 46 33.568 33.568 34.736 -1.168 19198 208 1 . 1 1 46 46 VAL H H 46 8.875 8.875 8.406 0.469 19198 209 1 . 1 1 47 47 ILE N N 47 125.899 125.899 126.562 -0.663 19198 210 1 . 1 1 47 47 ILE HA H 47 4.778 4.778 4.420 0.358 19198 211 1 . 1 1 47 47 ILE CB C 47 37.664 37.664 39.205 -1.541 19198 212 1 . 1 1 47 47 ILE H H 47 8.765 8.765 8.370 0.395 19198 213 1 . 1 1 48 48 PHE N N 48 126.624 126.624 126.873 -0.249 19198 214 1 . 1 1 48 48 PHE HA H 48 4.777 4.777 4.798 -0.021 19198 215 1 . 1 1 48 48 PHE CA C 48 56.162 56.162 56.827 -0.665 19198 216 1 . 1 1 48 48 PHE CB C 48 38.742 38.742 40.687 -1.945 19198 217 1 . 1 1 48 48 PHE H H 48 9.269 9.269 8.521 0.748 19198 218 1 . 1 1 49 49 GLU N N 49 123.550 123.550 122.016 1.534 19198 219 1 . 1 1 49 49 GLU HA H 49 4.021 4.021 4.035 -0.014 19198 220 1 . 1 1 49 49 GLU CA C 49 56.574 56.574 59.415 -2.841 19198 221 1 . 1 1 49 49 GLU CB C 49 26.939 26.939 29.648 -2.709 19198 222 1 . 1 1 49 49 GLU H H 49 9.331 9.331 8.438 0.893 19198 223 1 . 1 1 50 50 ASP N N 50 113.383 113.383 117.023 -3.640 19198 224 1 . 1 1 50 50 ASP HA H 50 4.443 4.443 4.699 -0.256 19198 225 1 . 1 1 50 50 ASP CA C 50 51.307 51.307 53.882 -2.575 19198 226 1 . 1 1 50 50 ASP CB C 50 38.062 38.062 40.923 -2.861 19198 227 1 . 1 1 50 50 ASP H H 50 7.674 7.674 8.269 -0.595 19198 228 1 . 1 1 51 51 GLY N N 51 107.745 107.745 108.367 -0.622 19198 229 1 . 1 1 51 51 GLY CA C 51 42.245 42.245 45.399 -3.154 19198 230 1 . 1 1 51 51 GLY H H 51 7.884 7.884 7.734 0.150 19198 231 1 . 1 1 52 52 ARG N N 52 120.713 120.713 120.293 0.420 19198 232 1 . 1 1 52 52 ARG HA H 52 4.292 4.292 4.301 -0.009 19198 233 1 . 1 1 52 52 ARG CA C 52 55.314 55.314 54.631 0.683 19198 234 1 . 1 1 52 52 ARG CB C 52 29.759 29.759 30.602 -0.843 19198 235 1 . 1 1 52 52 ARG H H 52 7.880 7.880 7.787 0.093 19198 236 1 . 1 1 53 53 HIS N N 53 120.216 120.216 124.604 -4.388 19198 237 1 . 1 1 53 53 HIS HA H 53 5.671 5.671 5.145 0.526 19198 238 1 . 1 1 53 53 HIS CA C 53 50.579 50.579 54.342 -3.763 19198 239 1 . 1 1 53 53 HIS CB C 53 29.165 29.165 31.349 -2.184 19198 240 1 . 1 1 53 53 HIS H H 53 8.961 8.961 8.370 0.591 19198 241 1 . 1 1 54 54 TYR N N 54 121.480 121.480 126.235 -4.755 19198 242 1 . 1 1 54 54 TYR HA H 54 5.574 5.574 4.928 0.646 19198 243 1 . 1 1 54 54 TYR CA C 54 53.397 53.397 56.174 -2.777 19198 244 1 . 1 1 54 54 TYR CB C 54 39.788 39.788 42.082 -2.295 19198 245 1 . 1 1 54 54 TYR H H 54 9.259 9.259 8.835 0.424 19198 246 1 . 1 1 55 55 THR N N 55 113.818 113.818 116.455 -2.637 19198 247 1 . 1 1 55 55 THR HA H 55 5.013 5.013 4.515 0.498 19198 248 1 . 1 1 55 55 THR CA C 55 57.994 57.994 61.681 -3.687 19198 249 1 . 1 1 55 55 THR CB C 55 67.733 67.733 68.384 -0.651 19198 250 1 . 1 1 55 55 THR H H 55 9.242 9.242 8.705 0.537 19198 251 1 . 1 1 56 56 PHE HA H 56 5.987 5.987 4.864 1.123 19198 252 1 . 1 1 56 56 PHE CA C 56 53.946 53.946 58.279 -4.334 19198 253 1 . 1 1 56 56 PHE CB C 56 42.416 42.416 40.523 1.893 19198 254 1 . 1 1 57 57 VAL N N 57 120.407 120.407 125.498 -5.091 19198 255 1 . 1 1 57 57 VAL HA H 57 4.683 4.683 4.617 0.066 19198 256 1 . 1 1 57 57 VAL CA C 57 59.696 59.696 60.777 -1.081 19198 257 1 . 1 1 57 57 VAL CB C 57 33.227 33.227 34.622 -1.395 19198 258 1 . 1 1 57 57 VAL H H 57 9.076 9.076 8.595 0.481 19198 259 1 . 1 1 58 58 TYR N N 58 131.325 131.325 130.228 1.097 19198 260 1 . 1 1 58 58 TYR HA H 58 5.504 5.504 5.199 0.305 19198 261 1 . 1 1 58 58 TYR CA C 58 53.883 53.883 55.386 -1.503 19198 262 1 . 1 1 58 58 TYR CB C 58 38.558 38.558 40.399 -1.841 19198 263 1 . 1 1 58 58 TYR H H 58 9.821 9.821 8.833 0.988 19198 264 1 . 1 1 59 59 GLU N N 59 123.904 123.904 127.409 -3.505 19198 265 1 . 1 1 59 59 GLU HA H 59 4.519 4.519 4.524 -0.005 19198 266 1 . 1 1 59 59 GLU CA C 59 52.718 52.718 54.617 -1.899 19198 267 1 . 1 1 59 59 GLU CB C 59 29.084 29.084 30.812 -1.728 19198 268 1 . 1 1 59 59 GLU H H 59 8.182 8.182 8.444 -0.262 19198 269 1 . 1 1 60 60 ASN N N 60 123.227 123.227 123.893 -0.666 19198 270 1 . 1 1 60 60 ASN HA H 60 4.247 4.247 4.066 0.181 19198 271 1 . 1 1 60 60 ASN CA C 60 51.876 51.876 56.466 -4.590 19198 272 1 . 1 1 60 60 ASN CB C 60 34.949 34.949 37.865 -2.916 19198 273 1 . 1 1 60 60 ASN H H 60 9.566 9.566 8.603 0.963 19198 274 1 . 1 1 61 61 GLU N N 61 107.647 107.647 114.281 -6.634 19198 275 1 . 1 1 61 61 GLU HA H 61 3.500 3.500 4.450 -0.950 19198 276 1 . 1 1 61 61 GLU CA C 61 54.765 54.765 55.948 -1.183 19198 277 1 . 1 1 61 61 GLU CB C 61 25.167 25.167 31.882 -6.715 19198 278 1 . 1 1 61 61 GLU H H 61 8.387 8.387 8.066 0.321 19198 279 1 . 1 1 62 62 ASP N N 62 119.350 119.350 122.433 -3.083 19198 280 1 . 1 1 62 62 ASP HA H 62 4.724 4.724 4.772 -0.048 19198 281 1 . 1 1 62 62 ASP CB C 62 41.251 41.251 42.683 -1.432 19198 282 1 . 1 1 62 62 ASP H H 62 7.314 7.314 8.019 -0.705 19198 283 1 . 1 1 63 63 LEU N N 63 123.998 123.998 125.305 -1.307 19198 284 1 . 1 1 63 63 LEU HA H 63 5.037 5.037 5.040 -0.003 19198 285 1 . 1 1 63 63 LEU CA C 63 51.075 51.075 54.041 -2.966 19198 286 1 . 1 1 63 63 LEU CB C 63 42.312 42.312 43.450 -1.138 19198 287 1 . 1 1 63 63 LEU H H 63 8.226 8.226 8.429 -0.203 19198 288 1 . 1 1 64 64 VAL N N 64 127.167 127.167 126.084 1.083 19198 289 1 . 1 1 64 64 VAL HA H 64 4.361 4.361 4.247 0.114 19198 290 1 . 1 1 64 64 VAL CA C 64 58.470 58.470 60.844 -2.374 19198 291 1 . 1 1 64 64 VAL CB C 64 31.939 31.939 34.743 -2.804 19198 292 1 . 1 1 64 64 VAL H H 64 8.915 8.915 8.562 0.353 19198 293 1 . 1 1 65 65 TYR N N 65 121.421 121.421 119.627 1.794 19198 294 1 . 1 1 65 65 TYR HA H 65 5.893 5.893 5.363 0.530 19198 295 1 . 1 1 65 65 TYR CA C 65 53.115 53.115 56.028 -2.913 19198 296 1 . 1 1 65 65 TYR CB C 65 39.948 39.948 40.753 -0.805 19198 297 1 . 1 1 65 65 TYR H H 65 8.207 8.207 7.947 0.260 19198 298 1 . 1 1 66 66 GLU N N 66 117.842 117.842 119.898 -2.056 19198 299 1 . 1 1 66 66 GLU HA H 66 4.793 4.793 4.669 0.124 19198 300 1 . 1 1 66 66 GLU CB C 66 30.949 30.949 32.612 -1.663 19198 301 1 . 1 1 66 66 GLU H H 66 8.875 8.875 8.934 -0.059 19198 302 1 . 1 1 67 67 GLU N N 67 125.220 125.220 120.404 4.816 19198 303 1 . 1 1 67 67 GLU HA H 67 4.084 4.084 4.576 -0.492 19198 304 1 . 1 1 67 67 GLU CA C 67 54.157 54.157 55.928 -1.771 19198 305 1 . 1 1 67 67 GLU CB C 67 27.697 27.697 32.041 -4.344 19198 306 1 . 1 1 67 67 GLU H H 67 9.033 9.033 8.477 0.556 19198 307 1 . 1 1 68 68 GLU N N 68 127.058 127.058 125.266 1.792 19198 308 1 . 1 1 68 68 GLU HA H 68 4.358 4.358 4.344 0.014 19198 309 1 . 1 1 68 68 GLU CA C 68 53.193 53.193 56.137 -2.944 19198 310 1 . 1 1 68 68 GLU CB C 68 28.405 28.405 29.647 -1.242 19198 311 1 . 1 1 68 68 GLU H H 68 8.546 8.546 8.258 0.288 19198 312 1 . 1 1 69 69 VAL N N 69 125.782 125.782 123.836 1.946 19198 313 1 . 1 1 69 69 VAL HA H 69 4.046 4.046 4.303 -0.257 19198 314 1 . 1 1 69 69 VAL CA C 69 59.775 59.775 62.053 -2.278 19198 315 1 . 1 1 69 69 VAL CB C 69 30.174 30.174 32.022 -1.848 19198 316 1 . 1 1 69 69 VAL H H 69 8.422 8.422 8.302 0.120 19198 stop_ save_