data_18868 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18868 _Entry.PDB_ID 2M1K 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 18868 _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 SER N N 3 118.627 118.627 116.894 1.733 18868 2 1 1 . 1 1 3 3 SER H H 3 8.384 8.384 8.579 -0.195 18868 3 1 1 . 1 1 4 4 PRO C C 4 180.814 180.814 178.841 1.973 18868 4 1 1 . 1 1 4 4 PRO CA C 4 66.500 66.500 65.997 0.503 18868 5 1 1 . 1 1 5 5 LEU N N 5 119.501 119.501 117.794 1.707 18868 6 1 1 . 1 1 5 5 LEU C C 5 179.272 179.272 178.422 0.850 18868 7 1 1 . 1 1 5 5 LEU CA C 5 58.600 58.600 58.291 0.309 18868 8 1 1 . 1 1 5 5 LEU H H 5 9.386 9.386 8.051 1.335 18868 9 1 1 . 1 1 6 6 ASP N N 6 119.191 119.191 118.894 0.297 18868 10 1 1 . 1 1 6 6 ASP C C 6 182.313 182.313 178.916 3.397 18868 11 1 1 . 1 1 6 6 ASP CA C 6 58.000 58.000 57.951 0.049 18868 12 1 1 . 1 1 6 6 ASP H H 6 7.912 7.912 8.045 -0.133 18868 13 1 1 . 1 1 7 7 GLN N N 7 117.979 117.979 118.828 -0.849 18868 14 1 1 . 1 1 7 7 GLN C C 7 179.998 179.998 178.437 1.561 18868 15 1 1 . 1 1 7 7 GLN CA C 7 58.900 58.900 58.483 0.417 18868 16 1 1 . 1 1 7 7 GLN H H 7 8.065 8.065 8.314 -0.249 18868 17 1 1 . 1 1 8 8 ALA N N 8 124.008 124.008 123.527 0.481 18868 18 1 1 . 1 1 8 8 ALA CA C 8 55.500 55.500 55.274 0.226 18868 19 1 1 . 1 1 8 8 ALA H H 8 8.159 8.159 8.029 0.130 18868 20 1 1 . 1 1 9 9 ILE C C 9 179.258 179.258 178.437 0.821 18868 21 1 1 . 1 1 9 9 ILE CA C 9 64.900 64.900 63.119 1.781 18868 22 1 1 . 1 1 10 10 GLY N N 10 105.447 105.447 108.367 -2.920 18868 23 1 1 . 1 1 10 10 GLY C C 10 177.984 177.984 176.144 1.840 18868 24 1 1 . 1 1 10 10 GLY CA C 10 47.300 47.300 47.149 0.151 18868 25 1 1 . 1 1 10 10 GLY H H 10 8.062 8.062 8.350 -0.288 18868 26 1 1 . 1 1 11 11 LEU N N 11 124.755 124.755 123.025 1.730 18868 27 1 1 . 1 1 11 11 LEU C C 11 178.346 178.346 178.541 -0.195 18868 28 1 1 . 1 1 11 11 LEU CA C 11 58.000 58.000 57.704 0.296 18868 29 1 1 . 1 1 11 11 LEU H H 11 8.067 8.067 8.082 -0.015 18868 30 1 1 . 1 1 12 12 LEU N N 12 121.609 121.609 119.066 2.543 18868 31 1 1 . 1 1 12 12 LEU C C 12 182.560 182.560 179.754 2.806 18868 32 1 1 . 1 1 12 12 LEU CA C 12 59.000 59.000 57.990 1.010 18868 33 1 1 . 1 1 12 12 LEU H H 12 7.997 7.997 7.987 0.010 18868 34 1 1 . 1 1 13 13 VAL N N 13 119.951 119.951 119.353 0.598 18868 35 1 1 . 1 1 13 13 VAL C C 13 178.016 178.016 178.146 -0.130 18868 36 1 1 . 1 1 13 13 VAL CA C 13 67.100 67.100 65.461 1.639 18868 37 1 1 . 1 1 13 13 VAL H H 13 8.087 8.087 8.348 -0.261 18868 38 1 1 . 1 1 14 14 ALA N N 14 122.867 122.867 123.266 -0.399 18868 39 1 1 . 1 1 14 14 ALA C C 14 175.380 175.380 180.067 -4.687 18868 40 1 1 . 1 1 14 14 ALA CA C 14 55.600 55.600 55.416 0.184 18868 41 1 1 . 1 1 14 14 ALA H H 14 8.363 8.363 8.049 0.314 18868 42 1 1 . 1 1 15 15 ILE N N 15 118.496 118.496 119.068 -0.572 18868 43 1 1 . 1 1 15 15 ILE C C 15 178.058 178.058 177.636 0.422 18868 44 1 1 . 1 1 15 15 ILE CA C 15 64.800 64.800 65.302 -0.502 18868 45 1 1 . 1 1 15 15 ILE H H 15 8.787 8.787 7.982 0.805 18868 46 1 1 . 1 1 16 16 PHE N N 16 119.259 119.259 120.236 -0.977 18868 47 1 1 . 1 1 16 16 PHE H H 16 7.171 7.171 7.574 -0.403 18868 48 1 1 . 1 1 17 17 HIS C C 17 178.660 178.660 178.051 0.609 18868 49 1 1 . 1 1 17 17 HIS CA C 17 54.800 54.800 59.015 -4.215 18868 50 1 1 . 1 1 17 17 HIS CB C 17 30.000 30.000 29.612 0.388 18868 51 1 1 . 1 1 18 18 LYS N N 18 122.924 122.924 120.434 2.490 18868 52 1 1 . 1 1 18 18 LYS C C 18 180.221 180.221 178.335 1.886 18868 53 1 1 . 1 1 18 18 LYS CA C 18 58.800 58.800 59.376 -0.576 18868 54 1 1 . 1 1 18 18 LYS CB C 18 40.200 40.200 32.420 7.780 18868 55 1 1 . 1 1 18 18 LYS H H 18 8.880 8.880 7.999 0.881 18868 56 1 1 . 1 1 19 19 TYR N N 19 120.227 120.227 115.632 4.595 18868 57 1 1 . 1 1 19 19 TYR C C 19 178.435 178.435 177.778 0.657 18868 58 1 1 . 1 1 19 19 TYR CA C 19 55.300 55.300 59.870 -4.569 18868 59 1 1 . 1 1 19 19 TYR H H 19 8.879 8.879 7.728 1.151 18868 60 1 1 . 1 1 20 20 SER N N 20 119.760 119.760 116.792 2.968 18868 61 1 1 . 1 1 20 20 SER C C 20 178.376 178.376 176.527 1.849 18868 62 1 1 . 1 1 20 20 SER CA C 20 56.900 56.900 60.606 -3.706 18868 63 1 1 . 1 1 20 20 SER CB C 20 61.700 61.700 62.399 -0.699 18868 64 1 1 . 1 1 20 20 SER H H 20 7.557 7.557 8.052 -0.495 18868 65 1 1 . 1 1 21 21 GLY N N 21 111.202 111.202 108.021 3.181 18868 66 1 1 . 1 1 21 21 GLY C C 21 174.862 174.862 175.088 -0.226 18868 67 1 1 . 1 1 21 21 GLY CA C 21 45.600 45.600 44.824 0.776 18868 68 1 1 . 1 1 21 21 GLY H H 21 7.696 7.696 7.528 0.168 18868 69 1 1 . 1 1 22 22 ARG N N 22 122.200 122.200 119.427 2.773 18868 70 1 1 . 1 1 22 22 ARG C C 22 178.336 178.336 176.866 1.470 18868 71 1 1 . 1 1 22 22 ARG CA C 22 59.500 59.500 57.728 1.772 18868 72 1 1 . 1 1 22 22 ARG CB C 22 30.500 30.500 30.844 -0.344 18868 73 1 1 . 1 1 22 22 ARG H H 22 7.311 7.311 7.664 -0.353 18868 74 1 1 . 1 1 23 23 GLU N N 23 115.984 115.984 115.874 0.110 18868 75 1 1 . 1 1 23 23 GLU C C 23 177.129 177.129 176.049 1.080 18868 76 1 1 . 1 1 23 23 GLU CA C 23 54.300 54.300 55.303 -1.003 18868 77 1 1 . 1 1 23 23 GLU CB C 23 33.200 33.200 32.243 0.957 18868 78 1 1 . 1 1 23 23 GLU H H 23 9.488 9.488 8.291 1.197 18868 79 1 1 . 1 1 24 24 GLY N N 24 114.031 114.031 110.967 3.064 18868 80 1 1 . 1 1 24 24 GLY C C 24 174.499 174.499 173.984 0.515 18868 81 1 1 . 1 1 24 24 GLY CA C 24 45.900 45.900 45.334 0.566 18868 82 1 1 . 1 1 24 24 GLY H H 24 9.048 9.048 8.464 0.584 18868 83 1 1 . 1 1 25 25 ASP N N 25 125.634 125.634 121.186 4.448 18868 84 1 1 . 1 1 25 25 ASP C C 25 177.998 177.998 177.638 0.360 18868 85 1 1 . 1 1 25 25 ASP CA C 25 55.000 55.000 53.912 1.088 18868 86 1 1 . 1 1 25 25 ASP H H 25 8.249 8.249 8.429 -0.180 18868 87 1 1 . 1 1 26 26 LYS N N 26 121.469 121.469 125.680 -4.211 18868 88 1 1 . 1 1 26 26 LYS CA C 26 57.600 57.600 58.068 -0.468 18868 89 1 1 . 1 1 26 26 LYS CB C 26 37.800 37.800 32.511 5.289 18868 90 1 1 . 1 1 26 26 LYS H H 26 9.043 9.043 8.533 0.510 18868 91 1 1 . 1 1 27 27 HIS N N 27 112.780 112.780 113.195 -0.415 18868 92 1 1 . 1 1 27 27 HIS C C 27 175.067 175.067 174.285 0.782 18868 93 1 1 . 1 1 27 27 HIS CA C 27 55.300 55.300 54.805 0.495 18868 94 1 1 . 1 1 27 27 HIS CB C 27 30.300 30.300 30.974 -0.673 18868 95 1 1 . 1 1 27 27 HIS H H 27 8.241 8.241 7.940 0.301 18868 96 1 1 . 1 1 28 28 THR N N 28 106.447 106.447 110.332 -3.885 18868 97 1 1 . 1 1 28 28 THR C C 28 174.469 174.469 173.274 1.195 18868 98 1 1 . 1 1 28 28 THR CA C 28 60.000 60.000 60.096 -0.096 18868 99 1 1 . 1 1 28 28 THR H H 28 7.248 7.248 7.407 -0.159 18868 100 1 1 . 1 1 29 29 LEU N N 29 125.037 125.037 124.395 0.642 18868 101 1 1 . 1 1 29 29 LEU C C 29 180.751 180.751 177.138 3.613 18868 102 1 1 . 1 1 29 29 LEU CA C 29 55.200 55.200 53.544 1.655 18868 103 1 1 . 1 1 29 29 LEU CB C 29 41.800 41.800 42.867 -1.067 18868 104 1 1 . 1 1 29 29 LEU H H 29 9.421 9.421 8.869 0.552 18868 105 1 1 . 1 1 30 30 SER N N 30 131.373 131.373 120.787 10.586 18868 106 1 1 . 1 1 30 30 SER C C 30 177.946 177.946 176.004 1.942 18868 107 1 1 . 1 1 30 30 SER CA C 30 57.900 57.900 58.209 -0.309 18868 108 1 1 . 1 1 30 30 SER H H 30 9.312 9.312 9.471 -0.159 18868 109 1 1 . 1 1 31 31 LYS N N 31 117.689 117.689 121.394 -3.705 18868 110 1 1 . 1 1 31 31 LYS CA C 31 57.800 57.800 59.550 -1.750 18868 111 1 1 . 1 1 31 31 LYS H H 31 9.659 9.659 8.904 0.755 18868 112 1 1 . 1 1 32 32 LYS C C 32 180.677 180.677 178.851 1.826 18868 113 1 1 . 1 1 32 32 LYS CA C 32 59.800 59.800 59.533 0.267 18868 114 1 1 . 1 1 33 33 GLU N N 33 120.336 120.336 120.010 0.326 18868 115 1 1 . 1 1 33 33 GLU C C 33 179.654 179.654 179.208 0.446 18868 116 1 1 . 1 1 33 33 GLU CA C 33 59.300 59.300 59.214 0.086 18868 117 1 1 . 1 1 33 33 GLU H H 33 7.608 7.608 7.930 -0.322 18868 118 1 1 . 1 1 34 34 LEU N N 34 117.303 117.303 120.625 -3.322 18868 119 1 1 . 1 1 34 34 LEU C C 34 179.420 179.420 177.928 1.492 18868 120 1 1 . 1 1 34 34 LEU CA C 34 58.200 58.200 57.688 0.512 18868 121 1 1 . 1 1 34 34 LEU H H 34 7.659 7.659 8.455 -0.796 18868 122 1 1 . 1 1 35 35 LYS N N 35 116.520 116.520 119.531 -3.011 18868 123 1 1 . 1 1 35 35 LYS CA C 35 60.700 60.700 60.046 0.654 18868 124 1 1 . 1 1 35 35 LYS CB C 35 32.000 32.000 32.126 -0.126 18868 125 1 1 . 1 1 35 35 LYS H H 35 7.731 7.731 7.896 -0.165 18868 126 1 1 . 1 1 36 36 GLU N N 36 118.365 118.365 120.355 -1.990 18868 127 1 1 . 1 1 36 36 GLU C C 36 177.868 177.868 178.582 -0.714 18868 128 1 1 . 1 1 36 36 GLU CA C 36 59.700 59.700 59.190 0.510 18868 129 1 1 . 1 1 36 36 GLU CB C 36 29.300 29.300 29.570 -0.271 18868 130 1 1 . 1 1 36 36 GLU H H 36 7.871 7.871 7.770 0.101 18868 131 1 1 . 1 1 37 37 LEU N N 37 121.068 121.068 120.448 0.620 18868 132 1 1 . 1 1 37 37 LEU C C 37 176.731 176.731 178.692 -1.961 18868 133 1 1 . 1 1 37 37 LEU CA C 37 59.500 59.500 57.659 1.841 18868 134 1 1 . 1 1 37 37 LEU CB C 37 42.700 42.700 41.819 0.881 18868 135 1 1 . 1 1 37 37 LEU H H 37 7.513 7.513 7.858 -0.345 18868 136 1 1 . 1 1 38 38 ILE N N 38 117.867 117.867 118.419 -0.552 18868 137 1 1 . 1 1 38 38 ILE C C 38 178.658 178.658 178.653 0.005 18868 138 1 1 . 1 1 38 38 ILE CA C 38 65.300 65.300 65.274 0.026 18868 139 1 1 . 1 1 38 38 ILE H H 38 8.206 8.206 7.974 0.232 18868 140 1 1 . 1 1 39 39 GLN N N 39 114.147 114.147 117.850 -3.703 18868 141 1 1 . 1 1 39 39 GLN C C 39 180.003 180.003 177.778 2.225 18868 142 1 1 . 1 1 39 39 GLN CA C 39 59.500 59.500 58.691 0.808 18868 143 1 1 . 1 1 39 39 GLN H H 39 8.238 8.238 8.240 -0.002 18868 144 1 1 . 1 1 40 40 LYS N N 40 115.051 115.051 116.998 -1.947 18868 145 1 1 . 1 1 40 40 LYS C C 40 180.483 180.483 178.013 2.470 18868 146 1 1 . 1 1 40 40 LYS CA C 40 57.500 57.500 57.599 -0.099 18868 147 1 1 . 1 1 40 40 LYS H H 40 8.298 8.298 7.702 0.596 18868 148 1 1 . 1 1 41 41 GLU N N 41 112.448 112.448 116.368 -3.920 18868 149 1 1 . 1 1 41 41 GLU C C 41 178.252 178.252 176.439 1.813 18868 150 1 1 . 1 1 41 41 GLU CA C 41 55.700 55.700 55.800 -0.100 18868 151 1 1 . 1 1 41 41 GLU H H 41 8.328 8.328 8.141 0.187 18868 152 1 1 . 1 1 42 42 LEU N N 42 118.693 118.693 122.606 -3.913 18868 153 1 1 . 1 1 42 42 LEU C C 42 179.377 179.377 178.068 1.309 18868 154 1 1 . 1 1 42 42 LEU CA C 42 53.300 53.300 54.240 -0.940 18868 155 1 1 . 1 1 42 42 LEU H H 42 7.361 7.361 7.766 -0.405 18868 156 1 1 . 1 1 43 43 THR N N 43 125.535 125.535 122.619 2.916 18868 157 1 1 . 1 1 43 43 THR C C 43 180.403 180.403 175.357 5.046 18868 158 1 1 . 1 1 43 43 THR CA C 43 67.300 67.300 66.222 1.078 18868 159 1 1 . 1 1 43 43 THR H H 43 9.926 9.926 8.761 1.165 18868 160 1 1 . 1 1 44 44 ILE N N 44 116.467 116.467 119.167 -2.700 18868 161 1 1 . 1 1 44 44 ILE C C 44 178.107 178.107 177.291 0.816 18868 162 1 1 . 1 1 44 44 ILE CA C 44 62.400 62.400 59.752 2.648 18868 163 1 1 . 1 1 44 44 ILE CB C 44 38.300 38.300 37.813 0.487 18868 164 1 1 . 1 1 44 44 ILE H H 44 8.214 8.214 7.845 0.369 18868 165 1 1 . 1 1 45 45 GLY N N 45 108.241 108.241 110.127 -1.886 18868 166 1 1 . 1 1 45 45 GLY C C 45 176.355 176.355 176.164 0.191 18868 167 1 1 . 1 1 45 45 GLY CA C 45 47.400 47.400 47.765 -0.365 18868 168 1 1 . 1 1 45 45 GLY H H 45 7.750 7.750 8.341 -0.591 18868 169 1 1 . 1 1 46 46 SER N N 46 113.635 113.635 114.475 -0.840 18868 170 1 1 . 1 1 46 46 SER C C 46 176.007 176.007 175.457 0.550 18868 171 1 1 . 1 1 46 46 SER CA C 46 60.100 60.100 60.367 -0.267 18868 172 1 1 . 1 1 46 46 SER H H 46 7.847 7.847 8.333 -0.486 18868 173 1 1 . 1 1 47 47 LYS N N 47 119.437 119.437 119.566 -0.129 18868 174 1 1 . 1 1 47 47 LYS C C 47 178.100 178.100 176.759 1.341 18868 175 1 1 . 1 1 47 47 LYS CA C 47 56.000 56.000 56.038 -0.038 18868 176 1 1 . 1 1 47 47 LYS CB C 47 33.400 33.400 33.337 0.063 18868 177 1 1 . 1 1 47 47 LYS H H 47 7.709 7.709 7.578 0.131 18868 178 1 1 . 1 1 48 48 LEU N N 48 120.169 120.169 121.678 -1.509 18868 179 1 1 . 1 1 48 48 LEU C C 48 178.009 178.009 176.912 1.097 18868 180 1 1 . 1 1 48 48 LEU CA C 48 55.000 55.000 54.914 0.086 18868 181 1 1 . 1 1 48 48 LEU H H 48 7.139 7.139 7.430 -0.291 18868 182 1 1 . 1 1 49 49 GLN N N 49 121.739 121.739 121.292 0.447 18868 183 1 1 . 1 1 49 49 GLN C C 49 179.051 179.051 176.632 2.419 18868 184 1 1 . 1 1 49 49 GLN CA C 49 55.800 55.800 56.028 -0.228 18868 185 1 1 . 1 1 49 49 GLN H H 49 7.917 7.917 8.352 -0.435 18868 186 1 1 . 1 1 50 50 ASP N N 50 119.121 119.121 123.275 -4.154 18868 187 1 1 . 1 1 50 50 ASP C C 50 178.335 178.335 178.107 0.228 18868 188 1 1 . 1 1 50 50 ASP CA C 50 59.300 59.300 57.703 1.597 18868 189 1 1 . 1 1 50 50 ASP H H 50 7.597 7.597 8.879 -1.282 18868 190 1 1 . 1 1 51 51 ALA N N 51 116.624 116.624 121.841 -5.217 18868 191 1 1 . 1 1 51 51 ALA C C 51 181.587 181.587 179.843 1.744 18868 192 1 1 . 1 1 51 51 ALA CA C 51 57.700 57.700 55.026 2.674 18868 193 1 1 . 1 1 51 51 ALA H H 51 7.560 7.560 8.357 -0.797 18868 194 1 1 . 1 1 52 52 GLU N N 52 118.931 118.931 118.745 0.186 18868 195 1 1 . 1 1 52 52 GLU C C 52 180.495 180.495 179.049 1.446 18868 196 1 1 . 1 1 52 52 GLU CA C 52 58.900 58.900 58.595 0.305 18868 197 1 1 . 1 1 52 52 GLU H H 52 8.511 8.511 7.512 0.999 18868 198 1 1 . 1 1 53 53 ILE N N 53 120.400 120.400 120.711 -0.311 18868 199 1 1 . 1 1 53 53 ILE CA C 53 59.000 59.000 65.303 -6.303 18868 200 1 1 . 1 1 53 53 ILE H H 53 7.905 7.905 8.108 -0.203 18868 201 1 1 . 1 1 54 54 ALA C C 54 181.477 181.477 179.283 2.194 18868 202 1 1 . 1 1 54 54 ALA CA C 54 55.600 55.600 55.319 0.281 18868 203 1 1 . 1 1 55 55 ARG N N 55 118.315 118.315 119.125 -0.810 18868 204 1 1 . 1 1 55 55 ARG C C 55 179.468 179.468 178.158 1.310 18868 205 1 1 . 1 1 55 55 ARG CA C 55 59.100 59.100 59.174 -0.074 18868 206 1 1 . 1 1 55 55 ARG H H 55 7.448 7.448 7.839 -0.391 18868 207 1 1 . 1 1 56 56 LEU N N 56 120.310 120.310 121.713 -1.403 18868 208 1 1 . 1 1 56 56 LEU C C 56 179.984 179.984 178.528 1.456 18868 209 1 1 . 1 1 56 56 LEU CA C 56 58.000 58.000 58.084 -0.084 18868 210 1 1 . 1 1 56 56 LEU H H 56 7.672 7.672 8.281 -0.609 18868 211 1 1 . 1 1 57 57 MET N N 57 115.780 115.780 116.968 -1.188 18868 212 1 1 . 1 1 57 57 MET C C 57 179.083 179.083 178.517 0.566 18868 213 1 1 . 1 1 57 57 MET H H 57 8.354 8.354 8.402 -0.048 18868 214 1 1 . 1 1 58 58 GLU N N 58 117.826 117.826 120.605 -2.779 18868 215 1 1 . 1 1 58 58 GLU C C 58 179.161 179.161 178.917 0.244 18868 216 1 1 . 1 1 58 58 GLU CA C 58 59.300 59.300 59.438 -0.138 18868 217 1 1 . 1 1 58 58 GLU CB C 58 31.100 31.100 29.285 1.815 18868 218 1 1 . 1 1 58 58 GLU H H 58 7.620 7.620 8.082 -0.462 18868 219 1 1 . 1 1 59 59 ASP N N 59 117.801 117.801 119.310 -1.509 18868 220 1 1 . 1 1 59 59 ASP CA C 59 57.200 57.200 56.816 0.384 18868 221 1 1 . 1 1 59 59 ASP H H 59 8.693 8.693 8.093 0.600 18868 222 1 1 . 1 1 60 60 LEU N N 60 117.370 117.370 117.714 -0.344 18868 223 1 1 . 1 1 60 60 LEU C C 60 179.216 179.216 177.432 1.784 18868 224 1 1 . 1 1 60 60 LEU CA C 60 56.200 56.200 57.029 -0.829 18868 225 1 1 . 1 1 60 60 LEU H H 60 8.159 8.159 7.708 0.451 18868 226 1 1 . 1 1 61 61 ASP N N 61 117.835 117.835 116.707 1.128 18868 227 1 1 . 1 1 61 61 ASP C C 61 178.473 178.473 176.431 2.042 18868 228 1 1 . 1 1 61 61 ASP CA C 61 52.800 52.800 54.086 -1.286 18868 229 1 1 . 1 1 61 61 ASP CB C 61 39.100 39.100 40.918 -1.818 18868 230 1 1 . 1 1 61 61 ASP H H 61 7.559 7.559 7.599 -0.040 18868 231 1 1 . 1 1 62 62 ARG N N 62 125.783 125.783 126.612 -0.829 18868 232 1 1 . 1 1 62 62 ARG C C 62 178.519 178.519 177.401 1.118 18868 233 1 1 . 1 1 62 62 ARG CA C 62 58.500 58.500 57.298 1.202 18868 234 1 1 . 1 1 62 62 ARG CB C 62 30.200 30.200 30.139 0.061 18868 235 1 1 . 1 1 62 62 ARG H H 62 7.839 7.839 8.292 -0.453 18868 236 1 1 . 1 1 63 63 ASN N N 63 112.348 112.348 116.544 -4.196 18868 237 1 1 . 1 1 63 63 ASN C C 63 175.597 175.597 175.094 0.503 18868 238 1 1 . 1 1 63 63 ASN CA C 63 51.900 51.900 53.028 -1.128 18868 239 1 1 . 1 1 63 63 ASN CB C 63 36.700 36.700 38.294 -1.594 18868 240 1 1 . 1 1 63 63 ASN H H 63 7.899 7.899 8.087 -0.188 18868 241 1 1 . 1 1 64 64 LYS N N 64 114.407 114.407 118.171 -3.764 18868 242 1 1 . 1 1 64 64 LYS C C 64 176.731 176.731 175.598 1.133 18868 243 1 1 . 1 1 64 64 LYS CA C 64 59.500 59.500 57.262 2.238 18868 244 1 1 . 1 1 64 64 LYS H H 64 7.485 7.485 8.070 -0.585 18868 245 1 1 . 1 1 65 65 ASP N N 65 117.880 117.880 119.421 -1.541 18868 246 1 1 . 1 1 65 65 ASP C C 65 177.981 177.981 176.656 1.325 18868 247 1 1 . 1 1 65 65 ASP CA C 65 52.900 52.900 53.925 -1.025 18868 248 1 1 . 1 1 65 65 ASP H H 65 8.184 8.184 8.433 -0.249 18868 249 1 1 . 1 1 66 66 GLN N N 66 114.037 114.037 113.294 0.743 18868 250 1 1 . 1 1 66 66 GLN C C 66 175.374 175.374 174.087 1.287 18868 251 1 1 . 1 1 66 66 GLN CA C 66 57.900 57.900 58.040 -0.140 18868 252 1 1 . 1 1 66 66 GLN CB C 66 26.200 26.200 26.486 -0.286 18868 253 1 1 . 1 1 66 66 GLN H H 66 9.917 9.917 8.181 1.736 18868 254 1 1 . 1 1 67 67 GLU N N 67 117.611 117.611 116.994 0.617 18868 255 1 1 . 1 1 67 67 GLU C C 67 176.826 176.826 175.968 0.858 18868 256 1 1 . 1 1 67 67 GLU CA C 67 54.000 54.000 54.289 -0.289 18868 257 1 1 . 1 1 67 67 GLU CB C 67 33.100 33.100 32.627 0.473 18868 258 1 1 . 1 1 67 67 GLU H H 67 7.800 7.800 7.744 0.056 18868 259 1 1 . 1 1 68 68 VAL N N 68 126.064 126.064 125.951 0.113 18868 260 1 1 . 1 1 68 68 VAL C C 68 177.398 177.398 175.340 2.058 18868 261 1 1 . 1 1 68 68 VAL CA C 68 61.100 61.100 61.618 -0.518 18868 262 1 1 . 1 1 68 68 VAL CB C 68 33.300 33.300 31.928 1.372 18868 263 1 1 . 1 1 68 68 VAL H H 68 9.656 9.656 8.636 1.020 18868 264 1 1 . 1 1 69 69 ASN N N 69 127.002 127.002 126.649 0.353 18868 265 1 1 . 1 1 69 69 ASN C C 69 175.438 175.438 176.153 -0.715 18868 266 1 1 . 1 1 69 69 ASN CA C 69 51.200 51.200 52.670 -1.470 18868 267 1 1 . 1 1 69 69 ASN H H 69 9.036 9.036 8.139 0.897 18868 268 1 1 . 1 1 70 70 PHE N N 70 119.437 119.437 119.652 -0.215 18868 269 1 1 . 1 1 70 70 PHE C C 70 177.652 177.652 177.360 0.292 18868 270 1 1 . 1 1 70 70 PHE CA C 70 63.300 63.300 61.981 1.319 18868 271 1 1 . 1 1 70 70 PHE H H 70 9.055 9.055 8.950 0.105 18868 272 1 1 . 1 1 71 71 GLN N N 71 117.576 117.576 117.574 0.002 18868 273 1 1 . 1 1 71 71 GLN C C 71 180.488 180.488 178.470 2.018 18868 274 1 1 . 1 1 71 71 GLN CA C 71 60.100 60.100 59.335 0.765 18868 275 1 1 . 1 1 71 71 GLN CB C 71 27.900 27.900 28.110 -0.210 18868 276 1 1 . 1 1 71 71 GLN H H 71 8.273 8.273 8.440 -0.167 18868 277 1 1 . 1 1 72 72 GLU N N 72 119.971 119.971 120.208 -0.237 18868 278 1 1 . 1 1 72 72 GLU C C 72 179.001 179.001 178.614 0.387 18868 279 1 1 . 1 1 72 72 GLU CA C 72 58.700 58.700 58.791 -0.091 18868 280 1 1 . 1 1 72 72 GLU H H 72 8.631 8.631 7.832 0.799 18868 281 1 1 . 1 1 73 73 TYR N N 73 120.475 120.475 121.462 -0.987 18868 282 1 1 . 1 1 73 73 TYR C C 73 180.040 180.040 177.246 2.794 18868 283 1 1 . 1 1 73 73 TYR H H 73 7.721 7.721 7.585 0.136 18868 284 1 1 . 1 1 74 74 VAL N N 74 119.604 119.604 118.640 0.964 18868 285 1 1 . 1 1 74 74 VAL C C 74 177.821 177.821 177.876 -0.055 18868 286 1 1 . 1 1 74 74 VAL CA C 74 60.200 60.200 66.981 -6.781 18868 287 1 1 . 1 1 74 74 VAL CB C 74 33.800 33.800 31.236 2.564 18868 288 1 1 . 1 1 74 74 VAL H H 74 8.147 8.147 7.675 0.472 18868 289 1 1 . 1 1 75 75 THR N N 75 124.638 124.638 117.320 7.318 18868 290 1 1 . 1 1 75 75 THR C C 75 179.971 179.971 176.434 3.537 18868 291 1 1 . 1 1 75 75 THR CA C 75 60.600 60.600 66.279 -5.679 18868 292 1 1 . 1 1 75 75 THR H H 75 7.714 7.714 7.438 0.276 18868 293 1 1 . 1 1 76 76 PHE N N 76 116.963 116.963 122.949 -5.986 18868 294 1 1 . 1 1 76 76 PHE C C 76 177.695 177.695 176.717 0.978 18868 295 1 1 . 1 1 76 76 PHE CA C 76 60.000 60.000 60.793 -0.793 18868 296 1 1 . 1 1 76 76 PHE H H 76 7.864 7.864 7.604 0.260 18868 297 1 1 . 1 1 77 77 LEU N N 77 117.568 117.568 118.555 -0.987 18868 298 1 1 . 1 1 77 77 LEU C C 77 180.668 180.668 178.763 1.905 18868 299 1 1 . 1 1 77 77 LEU CA C 77 57.800 57.800 57.284 0.516 18868 300 1 1 . 1 1 77 77 LEU H H 77 7.913 7.913 8.005 -0.092 18868 301 1 1 . 1 1 78 78 GLY N N 78 104.257 104.257 106.280 -2.023 18868 302 1 1 . 1 1 78 78 GLY C C 78 176.062 176.062 175.307 0.755 18868 303 1 1 . 1 1 78 78 GLY CA C 78 47.600 47.600 46.983 0.617 18868 304 1 1 . 1 1 78 78 GLY H H 78 8.057 8.057 8.357 -0.300 18868 305 1 1 . 1 1 79 79 ALA N N 79 124.122 124.122 124.975 -0.853 18868 306 1 1 . 1 1 79 79 ALA C C 79 182.313 182.313 179.199 3.114 18868 307 1 1 . 1 1 79 79 ALA CA C 79 55.100 55.100 54.863 0.237 18868 308 1 1 . 1 1 79 79 ALA H H 79 7.804 7.804 7.803 0.001 18868 309 1 1 . 1 1 80 80 LEU N N 80 117.976 117.976 118.961 -0.985 18868 310 1 1 . 1 1 80 80 LEU C C 80 178.389 178.389 179.014 -0.625 18868 311 1 1 . 1 1 80 80 LEU CA C 80 57.400 57.400 57.623 -0.223 18868 312 1 1 . 1 1 80 80 LEU H H 80 8.045 8.045 7.914 0.131 18868 313 1 1 . 1 1 81 81 ALA N N 81 121.199 121.199 122.213 -1.014 18868 314 1 1 . 1 1 81 81 ALA C C 81 181.617 181.617 179.697 1.920 18868 315 1 1 . 1 1 81 81 ALA CA C 81 55.300 55.300 55.193 0.107 18868 316 1 1 . 1 1 81 81 ALA H H 81 8.152 8.152 8.016 0.136 18868 317 1 1 . 1 1 82 82 LEU N N 82 117.392 117.392 119.275 -1.883 18868 318 1 1 . 1 1 82 82 LEU C C 82 180.828 180.828 179.075 1.753 18868 319 1 1 . 1 1 82 82 LEU CA C 82 58.800 58.800 57.838 0.962 18868 320 1 1 . 1 1 82 82 LEU H H 82 7.238 7.238 7.957 -0.719 18868 321 1 1 . 1 1 83 83 ILE N N 83 124.342 124.342 120.129 4.213 18868 322 1 1 . 1 1 83 83 ILE C C 83 177.495 177.495 178.237 -0.742 18868 323 1 1 . 1 1 83 83 ILE CA C 83 60.500 60.500 65.910 -5.410 18868 324 1 1 . 1 1 83 83 ILE H H 83 8.726 8.726 7.786 0.940 18868 325 1 1 . 1 1 84 84 TYR N N 84 120.026 120.026 118.269 1.757 18868 326 1 1 . 1 1 84 84 TYR C C 84 177.236 177.236 178.089 -0.853 18868 327 1 1 . 1 1 84 84 TYR CA C 84 56.900 56.900 62.342 -5.442 18868 328 1 1 . 1 1 84 84 TYR H H 84 8.241 8.241 8.010 0.231 18868 329 1 1 . 1 1 85 85 ASN N N 85 117.125 117.125 117.340 -0.215 18868 330 1 1 . 1 1 85 85 ASN C C 85 175.508 175.508 177.629 -2.121 18868 331 1 1 . 1 1 85 85 ASN CA C 85 56.600 56.600 56.301 0.299 18868 332 1 1 . 1 1 85 85 ASN H H 85 7.681 7.681 8.283 -0.602 18868 333 1 1 . 1 1 86 86 GLU N N 86 119.756 119.756 120.173 -0.417 18868 334 1 1 . 1 1 86 86 GLU C C 86 177.821 177.821 178.786 -0.965 18868 335 1 1 . 1 1 86 86 GLU H H 86 8.790 8.790 8.330 0.460 18868 336 1 1 . 1 1 87 87 ALA N N 87 112.780 112.780 122.192 -9.412 18868 337 1 1 . 1 1 87 87 ALA H H 87 8.241 8.241 7.606 0.635 18868 338 1 1 . 1 1 88 88 LEU N N 88 118.627 118.627 117.267 1.360 18868 339 1 1 . 1 1 88 88 LEU CA C 88 57.900 57.900 57.028 0.872 18868 340 1 1 . 1 1 88 88 LEU H H 88 8.384 8.384 7.721 0.663 18868 341 1 1 . 1 1 89 89 LYS N N 89 118.552 118.552 117.483 1.069 18868 342 1 1 . 1 1 89 89 LYS C C 89 177.332 177.332 177.167 0.165 18868 343 1 1 . 1 1 89 89 LYS CA C 89 56.900 56.900 56.784 0.116 18868 344 1 1 . 1 1 89 89 LYS H H 89 7.854 7.854 7.629 0.225 18868 345 1 2 . 1 1 3 3 SER N N 3 118.627 118.627 116.927 1.700 18868 346 1 2 . 1 1 3 3 SER H H 3 8.384 8.384 8.589 -0.205 18868 347 1 2 . 1 1 4 4 PRO C C 4 180.814 180.814 178.833 1.981 18868 348 1 2 . 1 1 4 4 PRO CA C 4 66.500 66.500 66.013 0.487 18868 349 1 2 . 1 1 5 5 LEU N N 5 119.501 119.501 117.790 1.711 18868 350 1 2 . 1 1 5 5 LEU C C 5 179.272 179.272 178.422 0.850 18868 351 1 2 . 1 1 5 5 LEU CA C 5 58.600 58.600 58.292 0.308 18868 352 1 2 . 1 1 5 5 LEU H H 5 9.386 9.386 8.051 1.335 18868 353 1 2 . 1 1 6 6 ASP N N 6 119.191 119.191 118.890 0.301 18868 354 1 2 . 1 1 6 6 ASP C C 6 182.313 182.313 178.917 3.396 18868 355 1 2 . 1 1 6 6 ASP CA C 6 58.000 58.000 57.948 0.052 18868 356 1 2 . 1 1 6 6 ASP H H 6 7.912 7.912 8.044 -0.132 18868 357 1 2 . 1 1 7 7 GLN N N 7 117.979 117.979 118.830 -0.851 18868 358 1 2 . 1 1 7 7 GLN C C 7 179.998 179.998 178.437 1.561 18868 359 1 2 . 1 1 7 7 GLN CA C 7 58.900 58.900 58.486 0.414 18868 360 1 2 . 1 1 7 7 GLN H H 7 8.065 8.065 8.318 -0.253 18868 361 1 2 . 1 1 8 8 ALA N N 8 124.008 124.008 123.513 0.495 18868 362 1 2 . 1 1 8 8 ALA CA C 8 55.500 55.500 55.270 0.230 18868 363 1 2 . 1 1 8 8 ALA H H 8 8.159 8.159 8.030 0.129 18868 364 1 2 . 1 1 9 9 ILE C C 9 179.258 179.258 178.436 0.822 18868 365 1 2 . 1 1 9 9 ILE CA C 9 64.900 64.900 63.123 1.777 18868 366 1 2 . 1 1 10 10 GLY N N 10 105.447 105.447 108.362 -2.915 18868 367 1 2 . 1 1 10 10 GLY C C 10 177.984 177.984 176.144 1.840 18868 368 1 2 . 1 1 10 10 GLY CA C 10 47.300 47.300 47.148 0.152 18868 369 1 2 . 1 1 10 10 GLY H H 10 8.062 8.062 8.350 -0.288 18868 370 1 2 . 1 1 11 11 LEU N N 11 124.755 124.755 123.029 1.726 18868 371 1 2 . 1 1 11 11 LEU C C 11 178.346 178.346 178.542 -0.196 18868 372 1 2 . 1 1 11 11 LEU CA C 11 58.000 58.000 57.709 0.291 18868 373 1 2 . 1 1 11 11 LEU H H 11 8.067 8.067 8.082 -0.015 18868 374 1 2 . 1 1 12 12 LEU N N 12 121.609 121.609 119.017 2.592 18868 375 1 2 . 1 1 12 12 LEU C C 12 182.560 182.560 179.756 2.804 18868 376 1 2 . 1 1 12 12 LEU CA C 12 59.000 59.000 57.986 1.014 18868 377 1 2 . 1 1 12 12 LEU H H 12 7.997 7.997 7.988 0.009 18868 378 1 2 . 1 1 13 13 VAL N N 13 119.951 119.951 119.385 0.566 18868 379 1 2 . 1 1 13 13 VAL C C 13 178.016 178.016 178.169 -0.153 18868 380 1 2 . 1 1 13 13 VAL CA C 13 67.100 67.100 65.493 1.607 18868 381 1 2 . 1 1 13 13 VAL H H 13 8.087 8.087 8.363 -0.276 18868 382 1 2 . 1 1 14 14 ALA N N 14 122.867 122.867 123.288 -0.421 18868 383 1 2 . 1 1 14 14 ALA C C 14 175.380 175.380 180.074 -4.694 18868 384 1 2 . 1 1 14 14 ALA CA C 14 55.600 55.600 55.426 0.174 18868 385 1 2 . 1 1 14 14 ALA H H 14 8.363 8.363 8.063 0.300 18868 386 1 2 . 1 1 15 15 ILE N N 15 118.496 118.496 119.107 -0.611 18868 387 1 2 . 1 1 15 15 ILE C C 15 178.058 178.058 177.612 0.446 18868 388 1 2 . 1 1 15 15 ILE CA C 15 64.800 64.800 65.323 -0.523 18868 389 1 2 . 1 1 15 15 ILE H H 15 8.787 8.787 7.990 0.797 18868 390 1 2 . 1 1 16 16 PHE N N 16 119.259 119.259 120.239 -0.980 18868 391 1 2 . 1 1 16 16 PHE H H 16 7.171 7.171 7.602 -0.431 18868 392 1 2 . 1 1 17 17 HIS C C 17 178.660 178.660 178.049 0.611 18868 393 1 2 . 1 1 17 17 HIS CA C 17 54.800 54.800 59.015 -4.215 18868 394 1 2 . 1 1 17 17 HIS CB C 17 30.000 30.000 29.612 0.388 18868 395 1 2 . 1 1 18 18 LYS N N 18 122.924 122.924 120.437 2.487 18868 396 1 2 . 1 1 18 18 LYS C C 18 180.221 180.221 178.331 1.890 18868 397 1 2 . 1 1 18 18 LYS CA C 18 58.800 58.800 59.379 -0.579 18868 398 1 2 . 1 1 18 18 LYS CB C 18 40.200 40.200 32.422 7.778 18868 399 1 2 . 1 1 18 18 LYS H H 18 8.880 8.880 7.999 0.881 18868 400 1 2 . 1 1 19 19 TYR N N 19 120.227 120.227 115.615 4.612 18868 401 1 2 . 1 1 19 19 TYR C C 19 178.435 178.435 177.805 0.630 18868 402 1 2 . 1 1 19 19 TYR CA C 19 55.300 55.300 59.842 -4.542 18868 403 1 2 . 1 1 19 19 TYR H H 19 8.879 8.879 7.725 1.154 18868 404 1 2 . 1 1 20 20 SER N N 20 119.760 119.760 116.774 2.986 18868 405 1 2 . 1 1 20 20 SER C C 20 178.376 178.376 176.478 1.898 18868 406 1 2 . 1 1 20 20 SER CA C 20 56.900 56.900 60.632 -3.732 18868 407 1 2 . 1 1 20 20 SER CB C 20 61.700 61.700 62.429 -0.729 18868 408 1 2 . 1 1 20 20 SER H H 20 7.557 7.557 8.047 -0.490 18868 409 1 2 . 1 1 21 21 GLY N N 21 111.202 111.202 107.960 3.242 18868 410 1 2 . 1 1 21 21 GLY C C 21 174.862 174.862 175.087 -0.225 18868 411 1 2 . 1 1 21 21 GLY CA C 21 45.600 45.600 44.814 0.786 18868 412 1 2 . 1 1 21 21 GLY H H 21 7.696 7.696 7.526 0.170 18868 413 1 2 . 1 1 22 22 ARG N N 22 122.200 122.200 119.402 2.798 18868 414 1 2 . 1 1 22 22 ARG C C 22 178.336 178.336 176.861 1.475 18868 415 1 2 . 1 1 22 22 ARG CA C 22 59.500 59.500 57.726 1.774 18868 416 1 2 . 1 1 22 22 ARG CB C 22 30.500 30.500 30.848 -0.348 18868 417 1 2 . 1 1 22 22 ARG H H 22 7.311 7.311 7.658 -0.347 18868 418 1 2 . 1 1 23 23 GLU N N 23 115.984 115.984 115.839 0.145 18868 419 1 2 . 1 1 23 23 GLU C C 23 177.129 177.129 175.855 1.274 18868 420 1 2 . 1 1 23 23 GLU CA C 23 54.300 54.300 55.243 -0.943 18868 421 1 2 . 1 1 23 23 GLU CB C 23 33.200 33.200 32.207 0.993 18868 422 1 2 . 1 1 23 23 GLU H H 23 9.488 9.488 8.545 0.943 18868 423 1 2 . 1 1 24 24 GLY N N 24 114.031 114.031 110.716 3.315 18868 424 1 2 . 1 1 24 24 GLY C C 24 174.499 174.499 173.998 0.501 18868 425 1 2 . 1 1 24 24 GLY CA C 24 45.900 45.900 45.347 0.553 18868 426 1 2 . 1 1 24 24 GLY H H 24 9.048 9.048 8.426 0.622 18868 427 1 2 . 1 1 25 25 ASP N N 25 125.634 125.634 121.112 4.522 18868 428 1 2 . 1 1 25 25 ASP C C 25 177.998 177.998 177.677 0.321 18868 429 1 2 . 1 1 25 25 ASP CA C 25 55.000 55.000 53.850 1.150 18868 430 1 2 . 1 1 25 25 ASP H H 25 8.249 8.249 8.440 -0.191 18868 431 1 2 . 1 1 26 26 LYS N N 26 121.469 121.469 125.373 -3.904 18868 432 1 2 . 1 1 26 26 LYS CA C 26 57.600 57.600 58.088 -0.488 18868 433 1 2 . 1 1 26 26 LYS CB C 26 37.800 37.800 32.509 5.291 18868 434 1 2 . 1 1 26 26 LYS H H 26 9.043 9.043 8.540 0.503 18868 435 1 2 . 1 1 27 27 HIS N N 27 112.780 112.780 113.329 -0.549 18868 436 1 2 . 1 1 27 27 HIS C C 27 175.067 175.067 174.146 0.921 18868 437 1 2 . 1 1 27 27 HIS CA C 27 55.300 55.300 54.776 0.524 18868 438 1 2 . 1 1 27 27 HIS CB C 27 30.300 30.300 30.973 -0.673 18868 439 1 2 . 1 1 27 27 HIS H H 27 8.241 8.241 7.953 0.288 18868 440 1 2 . 1 1 28 28 THR N N 28 106.447 106.447 110.598 -4.151 18868 441 1 2 . 1 1 28 28 THR C C 28 174.469 174.469 173.370 1.099 18868 442 1 2 . 1 1 28 28 THR CA C 28 60.000 60.000 60.083 -0.083 18868 443 1 2 . 1 1 28 28 THR H H 28 7.248 7.248 7.417 -0.169 18868 444 1 2 . 1 1 29 29 LEU N N 29 125.037 125.037 124.689 0.348 18868 445 1 2 . 1 1 29 29 LEU C C 29 180.751 180.751 177.292 3.459 18868 446 1 2 . 1 1 29 29 LEU CA C 29 55.200 55.200 53.498 1.702 18868 447 1 2 . 1 1 29 29 LEU CB C 29 41.800 41.800 42.770 -0.970 18868 448 1 2 . 1 1 29 29 LEU H H 29 9.421 9.421 8.828 0.593 18868 449 1 2 . 1 1 30 30 SER N N 30 131.373 131.373 121.255 10.118 18868 450 1 2 . 1 1 30 30 SER C C 30 177.946 177.946 175.782 2.164 18868 451 1 2 . 1 1 30 30 SER CA C 30 57.900 57.900 58.177 -0.277 18868 452 1 2 . 1 1 30 30 SER H H 30 9.312 9.312 9.507 -0.195 18868 453 1 2 . 1 1 31 31 LYS N N 31 117.689 117.689 121.323 -3.634 18868 454 1 2 . 1 1 31 31 LYS CA C 31 57.800 57.800 59.503 -1.703 18868 455 1 2 . 1 1 31 31 LYS H H 31 9.659 9.659 8.894 0.765 18868 456 1 2 . 1 1 32 32 LYS C C 32 180.677 180.677 178.850 1.827 18868 457 1 2 . 1 1 32 32 LYS CA C 32 59.800 59.800 59.527 0.273 18868 458 1 2 . 1 1 33 33 GLU N N 33 120.336 120.336 120.010 0.326 18868 459 1 2 . 1 1 33 33 GLU C C 33 179.654 179.654 179.215 0.439 18868 460 1 2 . 1 1 33 33 GLU CA C 33 59.300 59.300 59.227 0.073 18868 461 1 2 . 1 1 33 33 GLU H H 33 7.608 7.608 7.933 -0.325 18868 462 1 2 . 1 1 34 34 LEU N N 34 117.303 117.303 120.624 -3.321 18868 463 1 2 . 1 1 34 34 LEU C C 34 179.420 179.420 177.923 1.497 18868 464 1 2 . 1 1 34 34 LEU CA C 34 58.200 58.200 57.685 0.515 18868 465 1 2 . 1 1 34 34 LEU H H 34 7.659 7.659 8.456 -0.797 18868 466 1 2 . 1 1 35 35 LYS N N 35 116.520 116.520 119.527 -3.007 18868 467 1 2 . 1 1 35 35 LYS CA C 35 60.700 60.700 60.048 0.652 18868 468 1 2 . 1 1 35 35 LYS CB C 35 32.000 32.000 32.129 -0.129 18868 469 1 2 . 1 1 35 35 LYS H H 35 7.731 7.731 7.894 -0.163 18868 470 1 2 . 1 1 36 36 GLU N N 36 118.365 118.365 120.359 -1.994 18868 471 1 2 . 1 1 36 36 GLU C C 36 177.868 177.868 178.569 -0.701 18868 472 1 2 . 1 1 36 36 GLU CA C 36 59.700 59.700 59.205 0.495 18868 473 1 2 . 1 1 36 36 GLU CB C 36 29.300 29.300 29.610 -0.310 18868 474 1 2 . 1 1 36 36 GLU H H 36 7.871 7.871 7.777 0.094 18868 475 1 2 . 1 1 37 37 LEU N N 37 121.068 121.068 120.380 0.688 18868 476 1 2 . 1 1 37 37 LEU C C 37 176.731 176.731 178.519 -1.788 18868 477 1 2 . 1 1 37 37 LEU CA C 37 59.500 59.500 57.581 1.919 18868 478 1 2 . 1 1 37 37 LEU CB C 37 42.700 42.700 41.685 1.014 18868 479 1 2 . 1 1 37 37 LEU H H 37 7.513 7.513 7.774 -0.261 18868 480 1 2 . 1 1 38 38 ILE N N 38 117.867 117.867 118.408 -0.541 18868 481 1 2 . 1 1 38 38 ILE C C 38 178.658 178.658 178.658 0.000 18868 482 1 2 . 1 1 38 38 ILE CA C 38 65.300 65.300 65.292 0.008 18868 483 1 2 . 1 1 38 38 ILE H H 38 8.206 8.206 7.968 0.238 18868 484 1 2 . 1 1 39 39 GLN N N 39 114.147 114.147 117.850 -3.703 18868 485 1 2 . 1 1 39 39 GLN C C 39 180.003 180.003 177.786 2.217 18868 486 1 2 . 1 1 39 39 GLN CA C 39 59.500 59.500 58.699 0.801 18868 487 1 2 . 1 1 39 39 GLN H H 39 8.238 8.238 8.240 -0.002 18868 488 1 2 . 1 1 40 40 LYS N N 40 115.051 115.051 117.009 -1.958 18868 489 1 2 . 1 1 40 40 LYS C C 40 180.483 180.483 178.029 2.454 18868 490 1 2 . 1 1 40 40 LYS CA C 40 57.500 57.500 57.625 -0.125 18868 491 1 2 . 1 1 40 40 LYS H H 40 8.298 8.298 7.713 0.585 18868 492 1 2 . 1 1 41 41 GLU N N 41 112.448 112.448 116.421 -3.973 18868 493 1 2 . 1 1 41 41 GLU C C 41 178.252 178.252 176.464 1.788 18868 494 1 2 . 1 1 41 41 GLU CA C 41 55.700 55.700 55.814 -0.114 18868 495 1 2 . 1 1 41 41 GLU H H 41 8.328 8.328 8.144 0.184 18868 496 1 2 . 1 1 42 42 LEU N N 42 118.693 118.693 122.600 -3.907 18868 497 1 2 . 1 1 42 42 LEU C C 42 179.377 179.377 178.066 1.311 18868 498 1 2 . 1 1 42 42 LEU CA C 42 53.300 53.300 54.230 -0.930 18868 499 1 2 . 1 1 42 42 LEU H H 42 7.361 7.361 7.757 -0.396 18868 500 1 2 . 1 1 43 43 THR N N 43 125.535 125.535 123.056 2.479 18868 501 1 2 . 1 1 43 43 THR C C 43 180.403 180.403 175.745 4.658 18868 502 1 2 . 1 1 43 43 THR CA C 43 67.300 67.300 66.450 0.850 18868 503 1 2 . 1 1 43 43 THR H H 43 9.926 9.926 8.827 1.099 18868 504 1 2 . 1 1 44 44 ILE N N 44 116.467 116.467 119.457 -2.990 18868 505 1 2 . 1 1 44 44 ILE C C 44 178.107 178.107 177.069 1.038 18868 506 1 2 . 1 1 44 44 ILE CA C 44 62.400 62.400 59.569 2.831 18868 507 1 2 . 1 1 44 44 ILE CB C 44 38.300 38.300 37.769 0.531 18868 508 1 2 . 1 1 44 44 ILE H H 44 8.214 8.214 7.955 0.259 18868 509 1 2 . 1 1 45 45 GLY N N 45 108.241 108.241 110.108 -1.867 18868 510 1 2 . 1 1 45 45 GLY C C 45 176.355 176.355 176.172 0.183 18868 511 1 2 . 1 1 45 45 GLY CA C 45 47.400 47.400 47.757 -0.357 18868 512 1 2 . 1 1 45 45 GLY H H 45 7.750 7.750 8.340 -0.590 18868 513 1 2 . 1 1 46 46 SER N N 46 113.635 113.635 114.444 -0.809 18868 514 1 2 . 1 1 46 46 SER C C 46 176.007 176.007 175.453 0.554 18868 515 1 2 . 1 1 46 46 SER CA C 46 60.100 60.100 60.396 -0.296 18868 516 1 2 . 1 1 46 46 SER H H 46 7.847 7.847 8.337 -0.490 18868 517 1 2 . 1 1 47 47 LYS N N 47 119.437 119.437 119.577 -0.140 18868 518 1 2 . 1 1 47 47 LYS C C 47 178.100 178.100 176.761 1.339 18868 519 1 2 . 1 1 47 47 LYS CA C 47 56.000 56.000 56.042 -0.042 18868 520 1 2 . 1 1 47 47 LYS CB C 47 33.400 33.400 33.344 0.056 18868 521 1 2 . 1 1 47 47 LYS H H 47 7.709 7.709 7.578 0.131 18868 522 1 2 . 1 1 48 48 LEU N N 48 120.169 120.169 121.681 -1.512 18868 523 1 2 . 1 1 48 48 LEU C C 48 178.009 178.009 176.913 1.096 18868 524 1 2 . 1 1 48 48 LEU CA C 48 55.000 55.000 54.919 0.081 18868 525 1 2 . 1 1 48 48 LEU H H 48 7.139 7.139 7.433 -0.294 18868 526 1 2 . 1 1 49 49 GLN N N 49 121.739 121.739 121.297 0.442 18868 527 1 2 . 1 1 49 49 GLN C C 49 179.051 179.051 176.634 2.417 18868 528 1 2 . 1 1 49 49 GLN CA C 49 55.800 55.800 56.028 -0.228 18868 529 1 2 . 1 1 49 49 GLN H H 49 7.917 7.917 8.355 -0.438 18868 530 1 2 . 1 1 50 50 ASP N N 50 119.121 119.121 123.275 -4.154 18868 531 1 2 . 1 1 50 50 ASP C C 50 178.335 178.335 178.108 0.227 18868 532 1 2 . 1 1 50 50 ASP CA C 50 59.300 59.300 57.706 1.594 18868 533 1 2 . 1 1 50 50 ASP H H 50 7.597 7.597 8.881 -1.284 18868 534 1 2 . 1 1 51 51 ALA N N 51 116.624 116.624 121.837 -5.213 18868 535 1 2 . 1 1 51 51 ALA C C 51 181.587 181.587 179.843 1.744 18868 536 1 2 . 1 1 51 51 ALA CA C 51 57.700 57.700 55.025 2.675 18868 537 1 2 . 1 1 51 51 ALA H H 51 7.560 7.560 8.359 -0.799 18868 538 1 2 . 1 1 52 52 GLU N N 52 118.931 118.931 118.747 0.184 18868 539 1 2 . 1 1 52 52 GLU C C 52 180.495 180.495 179.051 1.444 18868 540 1 2 . 1 1 52 52 GLU CA C 52 58.900 58.900 58.597 0.303 18868 541 1 2 . 1 1 52 52 GLU H H 52 8.511 8.511 7.513 0.998 18868 542 1 2 . 1 1 53 53 ILE N N 53 120.400 120.400 120.714 -0.314 18868 543 1 2 . 1 1 53 53 ILE CA C 53 59.000 59.000 65.305 -6.305 18868 544 1 2 . 1 1 53 53 ILE H H 53 7.905 7.905 8.111 -0.206 18868 545 1 2 . 1 1 54 54 ALA C C 54 181.477 181.477 179.281 2.196 18868 546 1 2 . 1 1 54 54 ALA CA C 54 55.600 55.600 55.318 0.282 18868 547 1 2 . 1 1 55 55 ARG N N 55 118.315 118.315 119.127 -0.812 18868 548 1 2 . 1 1 55 55 ARG C C 55 179.468 179.468 178.156 1.312 18868 549 1 2 . 1 1 55 55 ARG CA C 55 59.100 59.100 59.176 -0.076 18868 550 1 2 . 1 1 55 55 ARG H H 55 7.448 7.448 7.839 -0.391 18868 551 1 2 . 1 1 56 56 LEU N N 56 120.310 120.310 121.698 -1.388 18868 552 1 2 . 1 1 56 56 LEU C C 56 179.984 179.984 178.523 1.461 18868 553 1 2 . 1 1 56 56 LEU CA C 56 58.000 58.000 58.073 -0.073 18868 554 1 2 . 1 1 56 56 LEU H H 56 7.672 7.672 8.275 -0.603 18868 555 1 2 . 1 1 57 57 MET N N 57 115.780 115.780 116.606 -0.826 18868 556 1 2 . 1 1 57 57 MET C C 57 179.083 179.083 178.571 0.512 18868 557 1 2 . 1 1 57 57 MET H H 57 8.354 8.354 8.332 0.022 18868 558 1 2 . 1 1 58 58 GLU N N 58 117.826 117.826 120.627 -2.801 18868 559 1 2 . 1 1 58 58 GLU C C 58 179.161 179.161 178.891 0.270 18868 560 1 2 . 1 1 58 58 GLU CA C 58 59.300 59.300 59.455 -0.155 18868 561 1 2 . 1 1 58 58 GLU CB C 58 31.100 31.100 29.263 1.837 18868 562 1 2 . 1 1 58 58 GLU H H 58 7.620 7.620 8.087 -0.467 18868 563 1 2 . 1 1 59 59 ASP N N 59 117.801 117.801 119.476 -1.675 18868 564 1 2 . 1 1 59 59 ASP CA C 59 57.200 57.200 56.948 0.252 18868 565 1 2 . 1 1 59 59 ASP H H 59 8.693 8.693 8.117 0.576 18868 566 1 2 . 1 1 60 60 LEU N N 60 117.370 117.370 118.368 -0.998 18868 567 1 2 . 1 1 60 60 LEU C C 60 179.216 179.216 177.562 1.654 18868 568 1 2 . 1 1 60 60 LEU CA C 60 56.200 56.200 57.053 -0.853 18868 569 1 2 . 1 1 60 60 LEU H H 60 8.159 8.159 7.741 0.418 18868 570 1 2 . 1 1 61 61 ASP N N 61 117.835 117.835 117.475 0.360 18868 571 1 2 . 1 1 61 61 ASP C C 61 178.473 178.473 176.666 1.807 18868 572 1 2 . 1 1 61 61 ASP CA C 61 52.800 52.800 53.522 -0.722 18868 573 1 2 . 1 1 61 61 ASP CB C 61 39.100 39.100 40.648 -1.548 18868 574 1 2 . 1 1 61 61 ASP H H 61 7.559 7.559 7.520 0.039 18868 575 1 2 . 1 1 62 62 ARG N N 62 125.783 125.783 126.800 -1.017 18868 576 1 2 . 1 1 62 62 ARG C C 62 178.519 178.519 177.711 0.808 18868 577 1 2 . 1 1 62 62 ARG CA C 62 58.500 58.500 57.660 0.840 18868 578 1 2 . 1 1 62 62 ARG CB C 62 30.200 30.200 30.181 0.019 18868 579 1 2 . 1 1 62 62 ARG H H 62 7.839 7.839 8.883 -1.044 18868 580 1 2 . 1 1 63 63 ASN N N 63 112.348 112.348 116.706 -4.358 18868 581 1 2 . 1 1 63 63 ASN C C 63 175.597 175.597 174.907 0.690 18868 582 1 2 . 1 1 63 63 ASN CA C 63 51.900 51.900 53.194 -1.294 18868 583 1 2 . 1 1 63 63 ASN CB C 63 36.700 36.700 38.703 -2.003 18868 584 1 2 . 1 1 63 63 ASN H H 63 7.899 7.899 7.862 0.037 18868 585 1 2 . 1 1 64 64 LYS N N 64 114.407 114.407 117.955 -3.548 18868 586 1 2 . 1 1 64 64 LYS C C 64 176.731 176.731 175.344 1.387 18868 587 1 2 . 1 1 64 64 LYS CA C 64 59.500 59.500 57.275 2.225 18868 588 1 2 . 1 1 64 64 LYS H H 64 7.485 7.485 8.471 -0.986 18868 589 1 2 . 1 1 65 65 ASP N N 65 117.880 117.880 120.162 -2.282 18868 590 1 2 . 1 1 65 65 ASP C C 65 177.981 177.981 176.267 1.714 18868 591 1 2 . 1 1 65 65 ASP CA C 65 52.900 52.900 54.084 -1.184 18868 592 1 2 . 1 1 65 65 ASP H H 65 8.184 8.184 8.764 -0.580 18868 593 1 2 . 1 1 66 66 GLN N N 66 114.037 114.037 113.283 0.754 18868 594 1 2 . 1 1 66 66 GLN C C 66 175.374 175.374 174.079 1.295 18868 595 1 2 . 1 1 66 66 GLN CA C 66 57.900 57.900 57.928 -0.028 18868 596 1 2 . 1 1 66 66 GLN CB C 66 26.200 26.200 26.367 -0.167 18868 597 1 2 . 1 1 66 66 GLN H H 66 9.917 9.917 8.164 1.753 18868 598 1 2 . 1 1 67 67 GLU N N 67 117.611 117.611 117.166 0.445 18868 599 1 2 . 1 1 67 67 GLU C C 67 176.826 176.826 175.857 0.969 18868 600 1 2 . 1 1 67 67 GLU CA C 67 54.000 54.000 54.364 -0.364 18868 601 1 2 . 1 1 67 67 GLU CB C 67 33.100 33.100 32.618 0.482 18868 602 1 2 . 1 1 67 67 GLU H H 67 7.800 7.800 7.684 0.116 18868 603 1 2 . 1 1 68 68 VAL N N 68 126.064 126.064 126.500 -0.436 18868 604 1 2 . 1 1 68 68 VAL C C 68 177.398 177.398 175.923 1.475 18868 605 1 2 . 1 1 68 68 VAL CA C 68 61.100 61.100 61.547 -0.447 18868 606 1 2 . 1 1 68 68 VAL CB C 68 33.300 33.300 31.993 1.307 18868 607 1 2 . 1 1 68 68 VAL H H 68 9.656 9.656 8.718 0.938 18868 608 1 2 . 1 1 69 69 ASN N N 69 127.002 127.002 126.645 0.357 18868 609 1 2 . 1 1 69 69 ASN C C 69 175.438 175.438 176.108 -0.670 18868 610 1 2 . 1 1 69 69 ASN CA C 69 51.200 51.200 52.515 -1.315 18868 611 1 2 . 1 1 69 69 ASN H H 69 9.036 9.036 8.346 0.690 18868 612 1 2 . 1 1 70 70 PHE N N 70 119.437 119.437 119.416 0.021 18868 613 1 2 . 1 1 70 70 PHE C C 70 177.652 177.652 177.138 0.514 18868 614 1 2 . 1 1 70 70 PHE CA C 70 63.300 63.300 61.777 1.523 18868 615 1 2 . 1 1 70 70 PHE H H 70 9.055 9.055 9.036 0.019 18868 616 1 2 . 1 1 71 71 GLN N N 71 117.576 117.576 117.196 0.380 18868 617 1 2 . 1 1 71 71 GLN C C 71 180.488 180.488 178.399 2.089 18868 618 1 2 . 1 1 71 71 GLN CA C 71 60.100 60.100 58.916 1.184 18868 619 1 2 . 1 1 71 71 GLN CB C 71 27.900 27.900 28.317 -0.417 18868 620 1 2 . 1 1 71 71 GLN H H 71 8.273 8.273 8.259 0.014 18868 621 1 2 . 1 1 72 72 GLU N N 72 119.971 119.971 120.347 -0.376 18868 622 1 2 . 1 1 72 72 GLU C C 72 179.001 179.001 178.723 0.278 18868 623 1 2 . 1 1 72 72 GLU CA C 72 58.700 58.700 58.722 -0.022 18868 624 1 2 . 1 1 72 72 GLU H H 72 8.631 8.631 7.774 0.857 18868 625 1 2 . 1 1 73 73 TYR N N 73 120.475 120.475 121.449 -0.974 18868 626 1 2 . 1 1 73 73 TYR C C 73 180.040 180.040 177.265 2.775 18868 627 1 2 . 1 1 73 73 TYR H H 73 7.721 7.721 7.907 -0.186 18868 628 1 2 . 1 1 74 74 VAL N N 74 119.604 119.604 118.425 1.179 18868 629 1 2 . 1 1 74 74 VAL C C 74 177.821 177.821 177.829 -0.008 18868 630 1 2 . 1 1 74 74 VAL CA C 74 60.200 60.200 66.937 -6.737 18868 631 1 2 . 1 1 74 74 VAL CB C 74 33.800 33.800 31.231 2.569 18868 632 1 2 . 1 1 74 74 VAL H H 74 8.147 8.147 7.544 0.603 18868 633 1 2 . 1 1 75 75 THR N N 75 124.638 124.638 117.359 7.279 18868 634 1 2 . 1 1 75 75 THR C C 75 179.971 179.971 176.496 3.475 18868 635 1 2 . 1 1 75 75 THR CA C 75 60.600 60.600 66.177 -5.577 18868 636 1 2 . 1 1 75 75 THR H H 75 7.714 7.714 7.416 0.298 18868 637 1 2 . 1 1 76 76 PHE N N 76 116.963 116.963 123.023 -6.060 18868 638 1 2 . 1 1 76 76 PHE C C 76 177.695 177.695 176.708 0.987 18868 639 1 2 . 1 1 76 76 PHE CA C 76 60.000 60.000 60.772 -0.772 18868 640 1 2 . 1 1 76 76 PHE H H 76 7.864 7.864 7.635 0.229 18868 641 1 2 . 1 1 77 77 LEU N N 77 117.568 117.568 118.508 -0.940 18868 642 1 2 . 1 1 77 77 LEU C C 77 180.668 180.668 178.763 1.905 18868 643 1 2 . 1 1 77 77 LEU CA C 77 57.800 57.800 57.277 0.523 18868 644 1 2 . 1 1 77 77 LEU H H 77 7.913 7.913 8.001 -0.088 18868 645 1 2 . 1 1 78 78 GLY N N 78 104.257 104.257 106.207 -1.950 18868 646 1 2 . 1 1 78 78 GLY C C 78 176.062 176.062 175.288 0.774 18868 647 1 2 . 1 1 78 78 GLY CA C 78 47.600 47.600 46.984 0.616 18868 648 1 2 . 1 1 78 78 GLY H H 78 8.057 8.057 8.361 -0.304 18868 649 1 2 . 1 1 79 79 ALA N N 79 124.122 124.122 124.956 -0.834 18868 650 1 2 . 1 1 79 79 ALA C C 79 182.313 182.313 179.209 3.104 18868 651 1 2 . 1 1 79 79 ALA CA C 79 55.100 55.100 54.855 0.244 18868 652 1 2 . 1 1 79 79 ALA H H 79 7.804 7.804 7.745 0.059 18868 653 1 2 . 1 1 80 80 LEU N N 80 117.976 117.976 118.968 -0.992 18868 654 1 2 . 1 1 80 80 LEU C C 80 178.389 178.389 179.015 -0.626 18868 655 1 2 . 1 1 80 80 LEU CA C 80 57.400 57.400 57.627 -0.227 18868 656 1 2 . 1 1 80 80 LEU H H 80 8.045 8.045 7.916 0.129 18868 657 1 2 . 1 1 81 81 ALA N N 81 121.199 121.199 122.208 -1.009 18868 658 1 2 . 1 1 81 81 ALA C C 81 181.617 181.617 179.697 1.920 18868 659 1 2 . 1 1 81 81 ALA CA C 81 55.300 55.300 55.191 0.109 18868 660 1 2 . 1 1 81 81 ALA H H 81 8.152 8.152 8.015 0.137 18868 661 1 2 . 1 1 82 82 LEU N N 82 117.392 117.392 119.282 -1.890 18868 662 1 2 . 1 1 82 82 LEU C C 82 180.828 180.828 179.065 1.763 18868 663 1 2 . 1 1 82 82 LEU CA C 82 58.800 58.800 57.844 0.956 18868 664 1 2 . 1 1 82 82 LEU H H 82 7.238 7.238 7.958 -0.720 18868 665 1 2 . 1 1 83 83 ILE N N 83 124.342 124.342 120.219 4.123 18868 666 1 2 . 1 1 83 83 ILE C C 83 177.495 177.495 178.478 -0.983 18868 667 1 2 . 1 1 83 83 ILE CA C 83 60.500 60.500 65.768 -5.268 18868 668 1 2 . 1 1 83 83 ILE H H 83 8.726 8.726 7.804 0.922 18868 669 1 2 . 1 1 84 84 TYR N N 84 120.026 120.026 118.183 1.843 18868 670 1 2 . 1 1 84 84 TYR C C 84 177.236 177.236 178.075 -0.839 18868 671 1 2 . 1 1 84 84 TYR CA C 84 56.900 56.900 62.338 -5.438 18868 672 1 2 . 1 1 84 84 TYR H H 84 8.241 8.241 8.002 0.239 18868 673 1 2 . 1 1 85 85 ASN N N 85 117.125 117.125 117.420 -0.295 18868 674 1 2 . 1 1 85 85 ASN C C 85 175.508 175.508 177.631 -2.123 18868 675 1 2 . 1 1 85 85 ASN CA C 85 56.600 56.600 56.317 0.283 18868 676 1 2 . 1 1 85 85 ASN H H 85 7.681 7.681 8.285 -0.604 18868 677 1 2 . 1 1 86 86 GLU N N 86 119.756 119.756 120.098 -0.342 18868 678 1 2 . 1 1 86 86 GLU C C 86 177.821 177.821 178.797 -0.976 18868 679 1 2 . 1 1 86 86 GLU H H 86 8.790 8.790 8.378 0.412 18868 680 1 2 . 1 1 87 87 ALA N N 87 112.780 112.780 122.202 -9.422 18868 681 1 2 . 1 1 87 87 ALA H H 87 8.241 8.241 7.484 0.757 18868 682 1 2 . 1 1 88 88 LEU N N 88 118.627 118.627 117.403 1.224 18868 683 1 2 . 1 1 88 88 LEU CA C 88 57.900 57.900 56.843 1.057 18868 684 1 2 . 1 1 88 88 LEU H H 88 8.384 8.384 7.591 0.793 18868 685 1 2 . 1 1 89 89 LYS N N 89 118.552 118.552 117.445 1.107 18868 686 1 2 . 1 1 89 89 LYS C C 89 177.332 177.332 177.156 0.176 18868 687 1 2 . 1 1 89 89 LYS CA C 89 56.900 56.900 56.997 -0.097 18868 688 1 2 . 1 1 89 89 LYS H H 89 7.854 7.854 7.521 0.333 18868 689 1 3 . 1 1 3 3 SER N N 3 118.627 118.627 116.904 1.723 18868 690 1 3 . 1 1 3 3 SER H H 3 8.384 8.384 8.583 -0.199 18868 691 1 3 . 1 1 4 4 PRO C C 4 180.814 180.814 178.840 1.974 18868 692 1 3 . 1 1 4 4 PRO CA C 4 66.500 66.500 66.003 0.497 18868 693 1 3 . 1 1 5 5 LEU N N 5 119.501 119.501 117.793 1.708 18868 694 1 3 . 1 1 5 5 LEU C C 5 179.272 179.272 178.424 0.848 18868 695 1 3 . 1 1 5 5 LEU CA C 5 58.600 58.600 58.293 0.307 18868 696 1 3 . 1 1 5 5 LEU H H 5 9.386 9.386 8.052 1.334 18868 697 1 3 . 1 1 6 6 ASP N N 6 119.191 119.191 118.897 0.294 18868 698 1 3 . 1 1 6 6 ASP C C 6 182.313 182.313 178.918 3.395 18868 699 1 3 . 1 1 6 6 ASP CA C 6 58.000 58.000 57.951 0.049 18868 700 1 3 . 1 1 6 6 ASP H H 6 7.912 7.912 8.047 -0.135 18868 701 1 3 . 1 1 7 7 GLN N N 7 117.979 117.979 118.829 -0.850 18868 702 1 3 . 1 1 7 7 GLN C C 7 179.998 179.998 178.439 1.559 18868 703 1 3 . 1 1 7 7 GLN CA C 7 58.900 58.900 58.485 0.415 18868 704 1 3 . 1 1 7 7 GLN H H 7 8.065 8.065 8.317 -0.252 18868 705 1 3 . 1 1 8 8 ALA N N 8 124.008 124.008 123.524 0.484 18868 706 1 3 . 1 1 8 8 ALA CA C 8 55.500 55.500 55.272 0.228 18868 707 1 3 . 1 1 8 8 ALA H H 8 8.159 8.159 8.031 0.128 18868 708 1 3 . 1 1 9 9 ILE C C 9 179.258 179.258 178.440 0.818 18868 709 1 3 . 1 1 9 9 ILE CA C 9 64.900 64.900 63.122 1.778 18868 710 1 3 . 1 1 10 10 GLY N N 10 105.447 105.447 108.369 -2.922 18868 711 1 3 . 1 1 10 10 GLY C C 10 177.984 177.984 176.151 1.833 18868 712 1 3 . 1 1 10 10 GLY CA C 10 47.300 47.300 47.155 0.145 18868 713 1 3 . 1 1 10 10 GLY H H 10 8.062 8.062 8.351 -0.289 18868 714 1 3 . 1 1 11 11 LEU N N 11 124.755 124.755 123.030 1.725 18868 715 1 3 . 1 1 11 11 LEU C C 11 178.346 178.346 178.545 -0.199 18868 716 1 3 . 1 1 11 11 LEU CA C 11 58.000 58.000 57.708 0.292 18868 717 1 3 . 1 1 11 11 LEU H H 11 8.067 8.067 8.086 -0.019 18868 718 1 3 . 1 1 12 12 LEU N N 12 121.609 121.609 118.999 2.610 18868 719 1 3 . 1 1 12 12 LEU C C 12 182.560 182.560 179.745 2.815 18868 720 1 3 . 1 1 12 12 LEU CA C 12 59.000 59.000 58.004 0.996 18868 721 1 3 . 1 1 12 12 LEU H H 12 7.997 7.997 7.987 0.010 18868 722 1 3 . 1 1 13 13 VAL N N 13 119.951 119.951 119.383 0.568 18868 723 1 3 . 1 1 13 13 VAL C C 13 178.016 178.016 178.183 -0.167 18868 724 1 3 . 1 1 13 13 VAL CA C 13 67.100 67.100 65.513 1.587 18868 725 1 3 . 1 1 13 13 VAL H H 13 8.087 8.087 8.365 -0.278 18868 726 1 3 . 1 1 14 14 ALA N N 14 122.867 122.867 123.293 -0.426 18868 727 1 3 . 1 1 14 14 ALA C C 14 175.380 175.380 180.078 -4.698 18868 728 1 3 . 1 1 14 14 ALA CA C 14 55.600 55.600 55.431 0.169 18868 729 1 3 . 1 1 14 14 ALA H H 14 8.363 8.363 8.070 0.293 18868 730 1 3 . 1 1 15 15 ILE N N 15 118.496 118.496 119.094 -0.598 18868 731 1 3 . 1 1 15 15 ILE C C 15 178.058 178.058 177.631 0.427 18868 732 1 3 . 1 1 15 15 ILE CA C 15 64.800 64.800 65.322 -0.522 18868 733 1 3 . 1 1 15 15 ILE H H 15 8.787 8.787 8.002 0.785 18868 734 1 3 . 1 1 16 16 PHE N N 16 119.259 119.259 120.264 -1.005 18868 735 1 3 . 1 1 16 16 PHE H H 16 7.171 7.171 7.632 -0.461 18868 736 1 3 . 1 1 17 17 HIS C C 17 178.660 178.660 178.026 0.634 18868 737 1 3 . 1 1 17 17 HIS CA C 17 54.800 54.800 58.998 -4.198 18868 738 1 3 . 1 1 17 17 HIS CB C 17 30.000 30.000 29.598 0.402 18868 739 1 3 . 1 1 18 18 LYS N N 18 122.924 122.924 120.417 2.507 18868 740 1 3 . 1 1 18 18 LYS C C 18 180.221 180.221 178.319 1.902 18868 741 1 3 . 1 1 18 18 LYS CA C 18 58.800 58.800 59.365 -0.565 18868 742 1 3 . 1 1 18 18 LYS CB C 18 40.200 40.200 32.413 7.787 18868 743 1 3 . 1 1 18 18 LYS H H 18 8.880 8.880 7.991 0.889 18868 744 1 3 . 1 1 19 19 TYR N N 19 120.227 120.227 115.604 4.623 18868 745 1 3 . 1 1 19 19 TYR C C 19 178.435 178.435 177.766 0.669 18868 746 1 3 . 1 1 19 19 TYR CA C 19 55.300 55.300 59.844 -4.544 18868 747 1 3 . 1 1 19 19 TYR H H 19 8.879 8.879 7.708 1.171 18868 748 1 3 . 1 1 20 20 SER N N 20 119.760 119.760 116.772 2.988 18868 749 1 3 . 1 1 20 20 SER C C 20 178.376 178.376 176.455 1.921 18868 750 1 3 . 1 1 20 20 SER CA C 20 56.900 56.900 60.561 -3.661 18868 751 1 3 . 1 1 20 20 SER CB C 20 61.700 61.700 62.345 -0.645 18868 752 1 3 . 1 1 20 20 SER H H 20 7.557 7.557 8.020 -0.463 18868 753 1 3 . 1 1 21 21 GLY N N 21 111.202 111.202 107.965 3.237 18868 754 1 3 . 1 1 21 21 GLY C C 21 174.862 174.862 175.054 -0.192 18868 755 1 3 . 1 1 21 21 GLY CA C 21 45.600 45.600 44.761 0.839 18868 756 1 3 . 1 1 21 21 GLY H H 21 7.696 7.696 7.472 0.224 18868 757 1 3 . 1 1 22 22 ARG N N 22 122.200 122.200 119.408 2.792 18868 758 1 3 . 1 1 22 22 ARG C C 22 178.336 178.336 176.853 1.483 18868 759 1 3 . 1 1 22 22 ARG CA C 22 59.500 59.500 57.716 1.784 18868 760 1 3 . 1 1 22 22 ARG CB C 22 30.500 30.500 30.828 -0.328 18868 761 1 3 . 1 1 22 22 ARG H H 22 7.311 7.311 7.639 -0.328 18868 762 1 3 . 1 1 23 23 GLU N N 23 115.984 115.984 115.924 0.060 18868 763 1 3 . 1 1 23 23 GLU C C 23 177.129 177.129 176.065 1.064 18868 764 1 3 . 1 1 23 23 GLU CA C 23 54.300 54.300 55.327 -1.027 18868 765 1 3 . 1 1 23 23 GLU CB C 23 33.200 33.200 32.203 0.997 18868 766 1 3 . 1 1 23 23 GLU H H 23 9.488 9.488 8.257 1.231 18868 767 1 3 . 1 1 24 24 GLY N N 24 114.031 114.031 110.909 3.122 18868 768 1 3 . 1 1 24 24 GLY C C 24 174.499 174.499 174.038 0.461 18868 769 1 3 . 1 1 24 24 GLY CA C 24 45.900 45.900 45.327 0.573 18868 770 1 3 . 1 1 24 24 GLY H H 24 9.048 9.048 8.454 0.594 18868 771 1 3 . 1 1 25 25 ASP N N 25 125.634 125.634 121.138 4.496 18868 772 1 3 . 1 1 25 25 ASP C C 25 177.998 177.998 177.660 0.338 18868 773 1 3 . 1 1 25 25 ASP CA C 25 55.000 55.000 53.885 1.115 18868 774 1 3 . 1 1 25 25 ASP H H 25 8.249 8.249 8.446 -0.197 18868 775 1 3 . 1 1 26 26 LYS N N 26 121.469 121.469 125.092 -3.623 18868 776 1 3 . 1 1 26 26 LYS CA C 26 57.600 57.600 57.996 -0.397 18868 777 1 3 . 1 1 26 26 LYS CB C 26 37.800 37.800 32.457 5.343 18868 778 1 3 . 1 1 26 26 LYS H H 26 9.043 9.043 8.617 0.426 18868 779 1 3 . 1 1 27 27 HIS N N 27 112.780 112.780 113.315 -0.535 18868 780 1 3 . 1 1 27 27 HIS C C 27 175.067 175.067 174.037 1.030 18868 781 1 3 . 1 1 27 27 HIS CA C 27 55.300 55.300 55.387 -0.087 18868 782 1 3 . 1 1 27 27 HIS CB C 27 30.300 30.300 30.523 -0.223 18868 783 1 3 . 1 1 27 27 HIS H H 27 8.241 8.241 7.963 0.278 18868 784 1 3 . 1 1 28 28 THR N N 28 106.447 106.447 110.451 -4.004 18868 785 1 3 . 1 1 28 28 THR C C 28 174.469 174.469 173.295 1.174 18868 786 1 3 . 1 1 28 28 THR CA C 28 60.000 60.000 60.284 -0.284 18868 787 1 3 . 1 1 28 28 THR H H 28 7.248 7.248 7.388 -0.140 18868 788 1 3 . 1 1 29 29 LEU N N 29 125.037 125.037 124.845 0.192 18868 789 1 3 . 1 1 29 29 LEU C C 29 180.751 180.751 177.172 3.579 18868 790 1 3 . 1 1 29 29 LEU CA C 29 55.200 55.200 53.524 1.676 18868 791 1 3 . 1 1 29 29 LEU CB C 29 41.800 41.800 42.894 -1.094 18868 792 1 3 . 1 1 29 29 LEU H H 29 9.421 9.421 8.965 0.456 18868 793 1 3 . 1 1 30 30 SER N N 30 131.373 131.373 120.955 10.418 18868 794 1 3 . 1 1 30 30 SER C C 30 177.946 177.946 175.901 2.045 18868 795 1 3 . 1 1 30 30 SER CA C 30 57.900 57.900 58.286 -0.386 18868 796 1 3 . 1 1 30 30 SER H H 30 9.312 9.312 9.474 -0.162 18868 797 1 3 . 1 1 31 31 LYS N N 31 117.689 117.689 121.437 -3.748 18868 798 1 3 . 1 1 31 31 LYS CA C 31 57.800 57.800 59.586 -1.786 18868 799 1 3 . 1 1 31 31 LYS H H 31 9.659 9.659 8.877 0.782 18868 800 1 3 . 1 1 32 32 LYS C C 32 180.677 180.677 178.847 1.830 18868 801 1 3 . 1 1 32 32 LYS CA C 32 59.800 59.800 59.531 0.269 18868 802 1 3 . 1 1 33 33 GLU N N 33 120.336 120.336 120.014 0.322 18868 803 1 3 . 1 1 33 33 GLU C C 33 179.654 179.654 179.201 0.453 18868 804 1 3 . 1 1 33 33 GLU CA C 33 59.300 59.300 59.211 0.089 18868 805 1 3 . 1 1 33 33 GLU H H 33 7.608 7.608 7.928 -0.320 18868 806 1 3 . 1 1 34 34 LEU N N 34 117.303 117.303 120.624 -3.321 18868 807 1 3 . 1 1 34 34 LEU C C 34 179.420 179.420 177.926 1.494 18868 808 1 3 . 1 1 34 34 LEU CA C 34 58.200 58.200 57.687 0.513 18868 809 1 3 . 1 1 34 34 LEU H H 34 7.659 7.659 8.453 -0.794 18868 810 1 3 . 1 1 35 35 LYS N N 35 116.520 116.520 119.527 -3.007 18868 811 1 3 . 1 1 35 35 LYS CA C 35 60.700 60.700 60.047 0.653 18868 812 1 3 . 1 1 35 35 LYS CB C 35 32.000 32.000 32.127 -0.127 18868 813 1 3 . 1 1 35 35 LYS H H 35 7.731 7.731 7.893 -0.162 18868 814 1 3 . 1 1 36 36 GLU N N 36 118.365 118.365 120.357 -1.992 18868 815 1 3 . 1 1 36 36 GLU C C 36 177.868 177.868 178.570 -0.702 18868 816 1 3 . 1 1 36 36 GLU CA C 36 59.700 59.700 59.191 0.509 18868 817 1 3 . 1 1 36 36 GLU CB C 36 29.300 29.300 29.577 -0.277 18868 818 1 3 . 1 1 36 36 GLU H H 36 7.871 7.871 7.769 0.102 18868 819 1 3 . 1 1 37 37 LEU N N 37 121.068 121.068 120.408 0.660 18868 820 1 3 . 1 1 37 37 LEU C C 37 176.731 176.731 178.693 -1.962 18868 821 1 3 . 1 1 37 37 LEU CA C 37 59.500 59.500 57.608 1.892 18868 822 1 3 . 1 1 37 37 LEU CB C 37 42.700 42.700 41.777 0.923 18868 823 1 3 . 1 1 37 37 LEU H H 37 7.513 7.513 7.825 -0.312 18868 824 1 3 . 1 1 38 38 ILE N N 38 117.867 117.867 118.441 -0.574 18868 825 1 3 . 1 1 38 38 ILE C C 38 178.658 178.658 178.669 -0.011 18868 826 1 3 . 1 1 38 38 ILE CA C 38 65.300 65.300 65.311 -0.011 18868 827 1 3 . 1 1 38 38 ILE H H 38 8.206 8.206 7.992 0.214 18868 828 1 3 . 1 1 39 39 GLN N N 39 114.147 114.147 117.853 -3.706 18868 829 1 3 . 1 1 39 39 GLN C C 39 180.003 180.003 177.786 2.217 18868 830 1 3 . 1 1 39 39 GLN CA C 39 59.500 59.500 58.698 0.802 18868 831 1 3 . 1 1 39 39 GLN H H 39 8.238 8.238 8.247 -0.009 18868 832 1 3 . 1 1 40 40 LYS N N 40 115.051 115.051 117.009 -1.958 18868 833 1 3 . 1 1 40 40 LYS C C 40 180.483 180.483 178.024 2.459 18868 834 1 3 . 1 1 40 40 LYS CA C 40 57.500 57.500 57.613 -0.113 18868 835 1 3 . 1 1 40 40 LYS H H 40 8.298 8.298 7.714 0.584 18868 836 1 3 . 1 1 41 41 GLU N N 41 112.448 112.448 116.405 -3.957 18868 837 1 3 . 1 1 41 41 GLU C C 41 178.252 178.252 176.449 1.803 18868 838 1 3 . 1 1 41 41 GLU CA C 41 55.700 55.700 55.808 -0.108 18868 839 1 3 . 1 1 41 41 GLU H H 41 8.328 8.328 8.152 0.176 18868 840 1 3 . 1 1 42 42 LEU N N 42 118.693 118.693 122.599 -3.906 18868 841 1 3 . 1 1 42 42 LEU C C 42 179.377 179.377 178.065 1.312 18868 842 1 3 . 1 1 42 42 LEU CA C 42 53.300 53.300 54.228 -0.928 18868 843 1 3 . 1 1 42 42 LEU H H 42 7.361 7.361 7.763 -0.402 18868 844 1 3 . 1 1 43 43 THR N N 43 125.535 125.535 122.617 2.918 18868 845 1 3 . 1 1 43 43 THR C C 43 180.403 180.403 175.360 5.043 18868 846 1 3 . 1 1 43 43 THR CA C 43 67.300 67.300 66.219 1.081 18868 847 1 3 . 1 1 43 43 THR H H 43 9.926 9.926 8.753 1.173 18868 848 1 3 . 1 1 44 44 ILE N N 44 116.467 116.467 119.171 -2.704 18868 849 1 3 . 1 1 44 44 ILE C C 44 178.107 178.107 177.298 0.809 18868 850 1 3 . 1 1 44 44 ILE CA C 44 62.400 62.400 59.761 2.639 18868 851 1 3 . 1 1 44 44 ILE CB C 44 38.300 38.300 37.821 0.479 18868 852 1 3 . 1 1 44 44 ILE H H 44 8.214 8.214 7.848 0.366 18868 853 1 3 . 1 1 45 45 GLY N N 45 108.241 108.241 110.130 -1.889 18868 854 1 3 . 1 1 45 45 GLY C C 45 176.355 176.355 176.170 0.185 18868 855 1 3 . 1 1 45 45 GLY CA C 45 47.400 47.400 47.770 -0.370 18868 856 1 3 . 1 1 45 45 GLY H H 45 7.750 7.750 8.342 -0.592 18868 857 1 3 . 1 1 46 46 SER N N 46 113.635 113.635 114.475 -0.840 18868 858 1 3 . 1 1 46 46 SER C C 46 176.007 176.007 175.459 0.548 18868 859 1 3 . 1 1 46 46 SER CA C 46 60.100 60.100 60.376 -0.276 18868 860 1 3 . 1 1 46 46 SER H H 46 7.847 7.847 8.338 -0.491 18868 861 1 3 . 1 1 47 47 LYS N N 47 119.437 119.437 119.572 -0.135 18868 862 1 3 . 1 1 47 47 LYS C C 47 178.100 178.100 176.762 1.338 18868 863 1 3 . 1 1 47 47 LYS CA C 47 56.000 56.000 56.041 -0.041 18868 864 1 3 . 1 1 47 47 LYS CB C 47 33.400 33.400 33.342 0.058 18868 865 1 3 . 1 1 47 47 LYS H H 47 7.709 7.709 7.581 0.128 18868 866 1 3 . 1 1 48 48 LEU N N 48 120.169 120.169 121.678 -1.509 18868 867 1 3 . 1 1 48 48 LEU C C 48 178.009 178.009 176.913 1.096 18868 868 1 3 . 1 1 48 48 LEU CA C 48 55.000 55.000 54.916 0.084 18868 869 1 3 . 1 1 48 48 LEU H H 48 7.139 7.139 7.434 -0.295 18868 870 1 3 . 1 1 49 49 GLN N N 49 121.739 121.739 121.289 0.450 18868 871 1 3 . 1 1 49 49 GLN C C 49 179.051 179.051 176.633 2.418 18868 872 1 3 . 1 1 49 49 GLN CA C 49 55.800 55.800 56.030 -0.230 18868 873 1 3 . 1 1 49 49 GLN H H 49 7.917 7.917 8.355 -0.438 18868 874 1 3 . 1 1 50 50 ASP N N 50 119.121 119.121 123.267 -4.146 18868 875 1 3 . 1 1 50 50 ASP C C 50 178.335 178.335 178.108 0.227 18868 876 1 3 . 1 1 50 50 ASP CA C 50 59.300 59.300 57.705 1.595 18868 877 1 3 . 1 1 50 50 ASP H H 50 7.597 7.597 8.880 -1.283 18868 878 1 3 . 1 1 51 51 ALA N N 51 116.624 116.624 121.841 -5.217 18868 879 1 3 . 1 1 51 51 ALA C C 51 181.587 181.587 179.842 1.745 18868 880 1 3 . 1 1 51 51 ALA CA C 51 57.700 57.700 55.025 2.675 18868 881 1 3 . 1 1 51 51 ALA H H 51 7.560 7.560 8.358 -0.798 18868 882 1 3 . 1 1 52 52 GLU N N 52 118.931 118.931 118.747 0.184 18868 883 1 3 . 1 1 52 52 GLU C C 52 180.495 180.495 179.049 1.446 18868 884 1 3 . 1 1 52 52 GLU CA C 52 58.900 58.900 58.595 0.305 18868 885 1 3 . 1 1 52 52 GLU H H 52 8.511 8.511 7.513 0.998 18868 886 1 3 . 1 1 53 53 ILE N N 53 120.400 120.400 120.712 -0.312 18868 887 1 3 . 1 1 53 53 ILE CA C 53 59.000 59.000 65.305 -6.305 18868 888 1 3 . 1 1 53 53 ILE H H 53 7.905 7.905 8.109 -0.204 18868 889 1 3 . 1 1 54 54 ALA C C 54 181.477 181.477 179.281 2.196 18868 890 1 3 . 1 1 54 54 ALA CA C 54 55.600 55.600 55.316 0.284 18868 891 1 3 . 1 1 55 55 ARG N N 55 118.315 118.315 119.129 -0.814 18868 892 1 3 . 1 1 55 55 ARG C C 55 179.468 179.468 178.154 1.314 18868 893 1 3 . 1 1 55 55 ARG CA C 55 59.100 59.100 59.175 -0.076 18868 894 1 3 . 1 1 55 55 ARG H H 55 7.448 7.448 7.838 -0.390 18868 895 1 3 . 1 1 56 56 LEU N N 56 120.310 120.310 121.694 -1.384 18868 896 1 3 . 1 1 56 56 LEU C C 56 179.984 179.984 178.523 1.461 18868 897 1 3 . 1 1 56 56 LEU CA C 56 58.000 58.000 58.068 -0.068 18868 898 1 3 . 1 1 56 56 LEU H H 56 7.672 7.672 8.272 -0.600 18868 899 1 3 . 1 1 57 57 MET N N 57 115.780 115.780 116.612 -0.832 18868 900 1 3 . 1 1 57 57 MET C C 57 179.083 179.083 178.579 0.504 18868 901 1 3 . 1 1 57 57 MET H H 57 8.354 8.354 8.329 0.025 18868 902 1 3 . 1 1 58 58 GLU N N 58 117.826 117.826 120.653 -2.827 18868 903 1 3 . 1 1 58 58 GLU C C 58 179.161 179.161 178.896 0.265 18868 904 1 3 . 1 1 58 58 GLU CA C 58 59.300 59.300 59.459 -0.159 18868 905 1 3 . 1 1 58 58 GLU CB C 58 31.100 31.100 29.256 1.844 18868 906 1 3 . 1 1 58 58 GLU H H 58 7.620 7.620 8.089 -0.469 18868 907 1 3 . 1 1 59 59 ASP N N 59 117.801 117.801 119.140 -1.339 18868 908 1 3 . 1 1 59 59 ASP CA C 59 57.200 57.200 56.806 0.394 18868 909 1 3 . 1 1 59 59 ASP H H 59 8.693 8.693 8.095 0.598 18868 910 1 3 . 1 1 60 60 LEU N N 60 117.370 117.370 117.379 -0.009 18868 911 1 3 . 1 1 60 60 LEU C C 60 179.216 179.216 177.417 1.799 18868 912 1 3 . 1 1 60 60 LEU CA C 60 56.200 56.200 56.867 -0.667 18868 913 1 3 . 1 1 60 60 LEU H H 60 8.159 8.159 7.650 0.509 18868 914 1 3 . 1 1 61 61 ASP N N 61 117.835 117.835 117.526 0.309 18868 915 1 3 . 1 1 61 61 ASP C C 61 178.473 178.473 176.680 1.793 18868 916 1 3 . 1 1 61 61 ASP CA C 61 52.800 52.800 53.778 -0.978 18868 917 1 3 . 1 1 61 61 ASP CB C 61 39.100 39.100 40.820 -1.720 18868 918 1 3 . 1 1 61 61 ASP H H 61 7.559 7.559 7.488 0.071 18868 919 1 3 . 1 1 62 62 ARG N N 62 125.783 125.783 127.467 -1.684 18868 920 1 3 . 1 1 62 62 ARG C C 62 178.519 178.519 177.809 0.710 18868 921 1 3 . 1 1 62 62 ARG CA C 62 58.500 58.500 57.519 0.981 18868 922 1 3 . 1 1 62 62 ARG CB C 62 30.200 30.200 30.245 -0.045 18868 923 1 3 . 1 1 62 62 ARG H H 62 7.839 7.839 9.207 -1.368 18868 924 1 3 . 1 1 63 63 ASN N N 63 112.348 112.348 116.547 -4.199 18868 925 1 3 . 1 1 63 63 ASN C C 63 175.597 175.597 174.927 0.670 18868 926 1 3 . 1 1 63 63 ASN CA C 63 51.900 51.900 53.233 -1.333 18868 927 1 3 . 1 1 63 63 ASN CB C 63 36.700 36.700 38.633 -1.933 18868 928 1 3 . 1 1 63 63 ASN H H 63 7.899 7.899 7.944 -0.045 18868 929 1 3 . 1 1 64 64 LYS N N 64 114.407 114.407 118.922 -4.515 18868 930 1 3 . 1 1 64 64 LYS C C 64 176.731 176.731 175.349 1.382 18868 931 1 3 . 1 1 64 64 LYS CA C 64 59.500 59.500 57.139 2.361 18868 932 1 3 . 1 1 64 64 LYS H H 64 7.485 7.485 8.135 -0.650 18868 933 1 3 . 1 1 65 65 ASP N N 65 117.880 117.880 120.134 -2.254 18868 934 1 3 . 1 1 65 65 ASP C C 65 177.981 177.981 176.299 1.682 18868 935 1 3 . 1 1 65 65 ASP CA C 65 52.900 52.900 54.116 -1.216 18868 936 1 3 . 1 1 65 65 ASP H H 65 8.184 8.184 8.755 -0.571 18868 937 1 3 . 1 1 66 66 GLN N N 66 114.037 114.037 112.802 1.235 18868 938 1 3 . 1 1 66 66 GLN C C 66 175.374 175.374 174.111 1.263 18868 939 1 3 . 1 1 66 66 GLN CA C 66 57.900 57.900 58.024 -0.124 18868 940 1 3 . 1 1 66 66 GLN CB C 66 26.200 26.200 26.304 -0.104 18868 941 1 3 . 1 1 66 66 GLN H H 66 9.917 9.917 8.178 1.739 18868 942 1 3 . 1 1 67 67 GLU N N 67 117.611 117.611 117.956 -0.345 18868 943 1 3 . 1 1 67 67 GLU C C 67 176.826 176.826 176.016 0.810 18868 944 1 3 . 1 1 67 67 GLU CA C 67 54.000 54.000 54.406 -0.406 18868 945 1 3 . 1 1 67 67 GLU CB C 67 33.100 33.100 31.721 1.379 18868 946 1 3 . 1 1 67 67 GLU H H 67 7.800 7.800 7.689 0.111 18868 947 1 3 . 1 1 68 68 VAL N N 68 126.064 126.064 127.168 -1.104 18868 948 1 3 . 1 1 68 68 VAL C C 68 177.398 177.398 176.228 1.170 18868 949 1 3 . 1 1 68 68 VAL CA C 68 61.100 61.100 62.290 -1.190 18868 950 1 3 . 1 1 68 68 VAL CB C 68 33.300 33.300 31.761 1.539 18868 951 1 3 . 1 1 68 68 VAL H H 68 9.656 9.656 8.903 0.753 18868 952 1 3 . 1 1 69 69 ASN N N 69 127.002 127.002 127.115 -0.113 18868 953 1 3 . 1 1 69 69 ASN C C 69 175.438 175.438 176.224 -0.786 18868 954 1 3 . 1 1 69 69 ASN CA C 69 51.200 51.200 52.592 -1.391 18868 955 1 3 . 1 1 69 69 ASN H H 69 9.036 9.036 8.729 0.307 18868 956 1 3 . 1 1 70 70 PHE N N 70 119.437 119.437 119.468 -0.031 18868 957 1 3 . 1 1 70 70 PHE C C 70 177.652 177.652 177.216 0.436 18868 958 1 3 . 1 1 70 70 PHE CA C 70 63.300 63.300 61.712 1.588 18868 959 1 3 . 1 1 70 70 PHE H H 70 9.055 9.055 8.952 0.103 18868 960 1 3 . 1 1 71 71 GLN N N 71 117.576 117.576 117.519 0.057 18868 961 1 3 . 1 1 71 71 GLN C C 71 180.488 180.488 178.478 2.010 18868 962 1 3 . 1 1 71 71 GLN CA C 71 60.100 60.100 59.060 1.040 18868 963 1 3 . 1 1 71 71 GLN CB C 71 27.900 27.900 28.276 -0.376 18868 964 1 3 . 1 1 71 71 GLN H H 71 8.273 8.273 8.344 -0.071 18868 965 1 3 . 1 1 72 72 GLU N N 72 119.971 119.971 119.845 0.126 18868 966 1 3 . 1 1 72 72 GLU C C 72 179.001 179.001 178.709 0.292 18868 967 1 3 . 1 1 72 72 GLU CA C 72 58.700 58.700 58.830 -0.130 18868 968 1 3 . 1 1 72 72 GLU H H 72 8.631 8.631 7.917 0.714 18868 969 1 3 . 1 1 73 73 TYR N N 73 120.475 120.475 121.421 -0.946 18868 970 1 3 . 1 1 73 73 TYR C C 73 180.040 180.040 177.276 2.764 18868 971 1 3 . 1 1 73 73 TYR H H 73 7.721 7.721 7.650 0.071 18868 972 1 3 . 1 1 74 74 VAL N N 74 119.604 119.604 118.759 0.845 18868 973 1 3 . 1 1 74 74 VAL C C 74 177.821 177.821 177.877 -0.056 18868 974 1 3 . 1 1 74 74 VAL CA C 74 60.200 60.200 66.967 -6.767 18868 975 1 3 . 1 1 74 74 VAL CB C 74 33.800 33.800 31.211 2.589 18868 976 1 3 . 1 1 74 74 VAL H H 74 8.147 8.147 7.905 0.242 18868 977 1 3 . 1 1 75 75 THR N N 75 124.638 124.638 117.305 7.333 18868 978 1 3 . 1 1 75 75 THR C C 75 179.971 179.971 176.431 3.540 18868 979 1 3 . 1 1 75 75 THR CA C 75 60.600 60.600 66.280 -5.680 18868 980 1 3 . 1 1 75 75 THR H H 75 7.714 7.714 7.470 0.244 18868 981 1 3 . 1 1 76 76 PHE N N 76 116.963 116.963 122.940 -5.977 18868 982 1 3 . 1 1 76 76 PHE C C 76 177.695 177.695 176.715 0.980 18868 983 1 3 . 1 1 76 76 PHE CA C 76 60.000 60.000 60.779 -0.779 18868 984 1 3 . 1 1 76 76 PHE H H 76 7.864 7.864 7.581 0.283 18868 985 1 3 . 1 1 77 77 LEU N N 77 117.568 117.568 118.564 -0.996 18868 986 1 3 . 1 1 77 77 LEU C C 77 180.668 180.668 178.764 1.904 18868 987 1 3 . 1 1 77 77 LEU CA C 77 57.800 57.800 57.292 0.508 18868 988 1 3 . 1 1 77 77 LEU H H 77 7.913 7.913 8.004 -0.091 18868 989 1 3 . 1 1 78 78 GLY N N 78 104.257 104.257 106.269 -2.012 18868 990 1 3 . 1 1 78 78 GLY C C 78 176.062 176.062 175.308 0.754 18868 991 1 3 . 1 1 78 78 GLY CA C 78 47.600 47.600 46.985 0.615 18868 992 1 3 . 1 1 78 78 GLY H H 78 8.057 8.057 8.354 -0.297 18868 993 1 3 . 1 1 79 79 ALA N N 79 124.122 124.122 124.998 -0.876 18868 994 1 3 . 1 1 79 79 ALA C C 79 182.313 182.313 179.197 3.116 18868 995 1 3 . 1 1 79 79 ALA CA C 79 55.100 55.100 54.850 0.250 18868 996 1 3 . 1 1 79 79 ALA H H 79 7.804 7.804 7.801 0.003 18868 997 1 3 . 1 1 80 80 LEU N N 80 117.976 117.976 118.960 -0.984 18868 998 1 3 . 1 1 80 80 LEU C C 80 178.389 178.389 179.015 -0.626 18868 999 1 3 . 1 1 80 80 LEU CA C 80 57.400 57.400 57.622 -0.222 18868 1000 1 3 . 1 1 80 80 LEU H H 80 8.045 8.045 7.916 0.129 18868 1001 1 3 . 1 1 81 81 ALA N N 81 121.199 121.199 122.219 -1.020 18868 1002 1 3 . 1 1 81 81 ALA C C 81 181.617 181.617 179.696 1.921 18868 1003 1 3 . 1 1 81 81 ALA CA C 81 55.300 55.300 55.195 0.105 18868 1004 1 3 . 1 1 81 81 ALA H H 81 8.152 8.152 8.018 0.134 18868 1005 1 3 . 1 1 82 82 LEU N N 82 117.392 117.392 119.279 -1.887 18868 1006 1 3 . 1 1 82 82 LEU C C 82 180.828 180.828 179.069 1.759 18868 1007 1 3 . 1 1 82 82 LEU CA C 82 58.800 58.800 57.841 0.959 18868 1008 1 3 . 1 1 82 82 LEU H H 82 7.238 7.238 7.959 -0.721 18868 1009 1 3 . 1 1 83 83 ILE N N 83 124.342 124.342 119.982 4.360 18868 1010 1 3 . 1 1 83 83 ILE C C 83 177.495 177.495 178.087 -0.592 18868 1011 1 3 . 1 1 83 83 ILE CA C 83 60.500 60.500 65.648 -5.148 18868 1012 1 3 . 1 1 83 83 ILE H H 83 8.726 8.726 7.744 0.982 18868 1013 1 3 . 1 1 84 84 TYR N N 84 120.026 120.026 118.155 1.871 18868 1014 1 3 . 1 1 84 84 TYR C C 84 177.236 177.236 178.111 -0.875 18868 1015 1 3 . 1 1 84 84 TYR CA C 84 56.900 56.900 62.197 -5.297 18868 1016 1 3 . 1 1 84 84 TYR H H 84 8.241 8.241 7.986 0.255 18868 1017 1 3 . 1 1 85 85 ASN N N 85 117.125 117.125 117.348 -0.223 18868 1018 1 3 . 1 1 85 85 ASN C C 85 175.508 175.508 177.637 -2.129 18868 1019 1 3 . 1 1 85 85 ASN CA C 85 56.600 56.600 56.236 0.364 18868 1020 1 3 . 1 1 85 85 ASN H H 85 7.681 7.681 8.262 -0.581 18868 1021 1 3 . 1 1 86 86 GLU N N 86 119.756 119.756 119.993 -0.237 18868 1022 1 3 . 1 1 86 86 GLU C C 86 177.821 177.821 178.605 -0.784 18868 1023 1 3 . 1 1 86 86 GLU H H 86 8.790 8.790 8.433 0.357 18868 1024 1 3 . 1 1 87 87 ALA N N 87 112.780 112.780 121.285 -8.505 18868 1025 1 3 . 1 1 87 87 ALA H H 87 8.241 8.241 7.656 0.585 18868 1026 1 3 . 1 1 88 88 LEU N N 88 118.627 118.627 117.634 0.993 18868 1027 1 3 . 1 1 88 88 LEU CA C 88 57.900 57.900 56.714 1.187 18868 1028 1 3 . 1 1 88 88 LEU H H 88 8.384 8.384 7.415 0.969 18868 1029 1 3 . 1 1 89 89 LYS N N 89 118.552 118.552 118.762 -0.210 18868 1030 1 3 . 1 1 89 89 LYS C C 89 177.332 177.332 177.466 -0.134 18868 1031 1 3 . 1 1 89 89 LYS CA C 89 56.900 56.900 57.329 -0.429 18868 1032 1 3 . 1 1 89 89 LYS H H 89 7.854 7.854 7.604 0.250 18868 1033 1 4 . 1 1 3 3 SER N N 3 118.627 118.627 116.893 1.734 18868 1034 1 4 . 1 1 3 3 SER H H 3 8.384 8.384 8.580 -0.196 18868 1035 1 4 . 1 1 4 4 PRO C C 4 180.814 180.814 178.838 1.976 18868 1036 1 4 . 1 1 4 4 PRO CA C 4 66.500 66.500 66.000 0.500 18868 1037 1 4 . 1 1 5 5 LEU N N 5 119.501 119.501 117.787 1.714 18868 1038 1 4 . 1 1 5 5 LEU C C 5 179.272 179.272 178.420 0.852 18868 1039 1 4 . 1 1 5 5 LEU CA C 5 58.600 58.600 58.287 0.313 18868 1040 1 4 . 1 1 5 5 LEU H H 5 9.386 9.386 8.050 1.336 18868 1041 1 4 . 1 1 6 6 ASP N N 6 119.191 119.191 118.894 0.297 18868 1042 1 4 . 1 1 6 6 ASP C C 6 182.313 182.313 178.915 3.398 18868 1043 1 4 . 1 1 6 6 ASP CA C 6 58.000 58.000 57.949 0.051 18868 1044 1 4 . 1 1 6 6 ASP H H 6 7.912 7.912 8.043 -0.131 18868 1045 1 4 . 1 1 7 7 GLN N N 7 117.979 117.979 118.829 -0.850 18868 1046 1 4 . 1 1 7 7 GLN C C 7 179.998 179.998 178.436 1.562 18868 1047 1 4 . 1 1 7 7 GLN CA C 7 58.900 58.900 58.484 0.416 18868 1048 1 4 . 1 1 7 7 GLN H H 7 8.065 8.065 8.315 -0.250 18868 1049 1 4 . 1 1 8 8 ALA N N 8 124.008 124.008 123.513 0.495 18868 1050 1 4 . 1 1 8 8 ALA CA C 8 55.500 55.500 55.267 0.234 18868 1051 1 4 . 1 1 8 8 ALA H H 8 8.159 8.159 8.025 0.134 18868 1052 1 4 . 1 1 9 9 ILE C C 9 179.258 179.258 178.434 0.824 18868 1053 1 4 . 1 1 9 9 ILE CA C 9 64.900 64.900 63.112 1.788 18868 1054 1 4 . 1 1 10 10 GLY N N 10 105.447 105.447 108.369 -2.922 18868 1055 1 4 . 1 1 10 10 GLY C C 10 177.984 177.984 176.147 1.837 18868 1056 1 4 . 1 1 10 10 GLY CA C 10 47.300 47.300 47.153 0.147 18868 1057 1 4 . 1 1 10 10 GLY H H 10 8.062 8.062 8.352 -0.290 18868 1058 1 4 . 1 1 11 11 LEU N N 11 124.755 124.755 123.025 1.730 18868 1059 1 4 . 1 1 11 11 LEU C C 11 178.346 178.346 178.542 -0.196 18868 1060 1 4 . 1 1 11 11 LEU CA C 11 58.000 58.000 57.706 0.294 18868 1061 1 4 . 1 1 11 11 LEU H H 11 8.067 8.067 8.080 -0.013 18868 1062 1 4 . 1 1 12 12 LEU N N 12 121.609 121.609 119.037 2.572 18868 1063 1 4 . 1 1 12 12 LEU C C 12 182.560 182.560 179.744 2.816 18868 1064 1 4 . 1 1 12 12 LEU CA C 12 59.000 59.000 58.001 0.999 18868 1065 1 4 . 1 1 12 12 LEU H H 12 7.997 7.997 7.976 0.021 18868 1066 1 4 . 1 1 13 13 VAL N N 13 119.951 119.951 119.382 0.569 18868 1067 1 4 . 1 1 13 13 VAL C C 13 178.016 178.016 178.186 -0.170 18868 1068 1 4 . 1 1 13 13 VAL CA C 13 67.100 67.100 65.518 1.582 18868 1069 1 4 . 1 1 13 13 VAL H H 13 8.087 8.087 8.359 -0.272 18868 1070 1 4 . 1 1 14 14 ALA N N 14 122.867 122.867 123.290 -0.423 18868 1071 1 4 . 1 1 14 14 ALA C C 14 175.380 175.380 180.084 -4.704 18868 1072 1 4 . 1 1 14 14 ALA CA C 14 55.600 55.600 55.433 0.167 18868 1073 1 4 . 1 1 14 14 ALA H H 14 8.363 8.363 8.069 0.294 18868 1074 1 4 . 1 1 15 15 ILE N N 15 118.496 118.496 119.101 -0.605 18868 1075 1 4 . 1 1 15 15 ILE C C 15 178.058 178.058 177.650 0.408 18868 1076 1 4 . 1 1 15 15 ILE CA C 15 64.800 64.800 65.333 -0.533 18868 1077 1 4 . 1 1 15 15 ILE H H 15 8.787 8.787 8.005 0.782 18868 1078 1 4 . 1 1 16 16 PHE N N 16 119.259 119.259 120.269 -1.010 18868 1079 1 4 . 1 1 16 16 PHE H H 16 7.171 7.171 7.626 -0.455 18868 1080 1 4 . 1 1 17 17 HIS C C 17 178.660 178.660 178.053 0.607 18868 1081 1 4 . 1 1 17 17 HIS CA C 17 54.800 54.800 59.020 -4.221 18868 1082 1 4 . 1 1 17 17 HIS CB C 17 30.000 30.000 29.618 0.382 18868 1083 1 4 . 1 1 18 18 LYS N N 18 122.924 122.924 120.438 2.486 18868 1084 1 4 . 1 1 18 18 LYS C C 18 180.221 180.221 178.341 1.880 18868 1085 1 4 . 1 1 18 18 LYS CA C 18 58.800 58.800 59.383 -0.583 18868 1086 1 4 . 1 1 18 18 LYS CB C 18 40.200 40.200 32.427 7.773 18868 1087 1 4 . 1 1 18 18 LYS H H 18 8.880 8.880 8.005 0.875 18868 1088 1 4 . 1 1 19 19 TYR N N 19 120.227 120.227 115.633 4.594 18868 1089 1 4 . 1 1 19 19 TYR C C 19 178.435 178.435 177.765 0.670 18868 1090 1 4 . 1 1 19 19 TYR CA C 19 55.300 55.300 59.872 -4.572 18868 1091 1 4 . 1 1 19 19 TYR H H 19 8.879 8.879 7.728 1.151 18868 1092 1 4 . 1 1 20 20 SER N N 20 119.760 119.760 116.783 2.977 18868 1093 1 4 . 1 1 20 20 SER C C 20 178.376 178.376 176.525 1.851 18868 1094 1 4 . 1 1 20 20 SER CA C 20 56.900 56.900 60.622 -3.722 18868 1095 1 4 . 1 1 20 20 SER CB C 20 61.700 61.700 62.379 -0.679 18868 1096 1 4 . 1 1 20 20 SER H H 20 7.557 7.557 8.055 -0.498 18868 1097 1 4 . 1 1 21 21 GLY N N 21 111.202 111.202 108.048 3.154 18868 1098 1 4 . 1 1 21 21 GLY C C 21 174.862 174.862 175.090 -0.228 18868 1099 1 4 . 1 1 21 21 GLY CA C 21 45.600 45.600 44.833 0.767 18868 1100 1 4 . 1 1 21 21 GLY H H 21 7.696 7.696 7.532 0.164 18868 1101 1 4 . 1 1 22 22 ARG N N 22 122.200 122.200 119.455 2.745 18868 1102 1 4 . 1 1 22 22 ARG C C 22 178.336 178.336 176.879 1.457 18868 1103 1 4 . 1 1 22 22 ARG CA C 22 59.500 59.500 57.738 1.762 18868 1104 1 4 . 1 1 22 22 ARG CB C 22 30.500 30.500 30.843 -0.344 18868 1105 1 4 . 1 1 22 22 ARG H H 22 7.311 7.311 7.647 -0.336 18868 1106 1 4 . 1 1 23 23 GLU N N 23 115.984 115.984 115.889 0.095 18868 1107 1 4 . 1 1 23 23 GLU C C 23 177.129 177.129 176.054 1.075 18868 1108 1 4 . 1 1 23 23 GLU CA C 23 54.300 54.300 55.312 -1.012 18868 1109 1 4 . 1 1 23 23 GLU CB C 23 33.200 33.200 32.228 0.972 18868 1110 1 4 . 1 1 23 23 GLU H H 23 9.488 9.488 8.275 1.213 18868 1111 1 4 . 1 1 24 24 GLY N N 24 114.031 114.031 110.956 3.075 18868 1112 1 4 . 1 1 24 24 GLY C C 24 174.499 174.499 174.027 0.472 18868 1113 1 4 . 1 1 24 24 GLY CA C 24 45.900 45.900 45.342 0.558 18868 1114 1 4 . 1 1 24 24 GLY H H 24 9.048 9.048 8.460 0.588 18868 1115 1 4 . 1 1 25 25 ASP N N 25 125.634 125.634 121.185 4.449 18868 1116 1 4 . 1 1 25 25 ASP C C 25 177.998 177.998 177.648 0.350 18868 1117 1 4 . 1 1 25 25 ASP CA C 25 55.000 55.000 53.782 1.218 18868 1118 1 4 . 1 1 25 25 ASP H H 25 8.249 8.249 8.448 -0.199 18868 1119 1 4 . 1 1 26 26 LYS N N 26 121.469 121.469 125.502 -4.033 18868 1120 1 4 . 1 1 26 26 LYS CA C 26 57.600 57.600 58.063 -0.463 18868 1121 1 4 . 1 1 26 26 LYS CB C 26 37.800 37.800 32.518 5.282 18868 1122 1 4 . 1 1 26 26 LYS H H 26 9.043 9.043 8.538 0.505 18868 1123 1 4 . 1 1 27 27 HIS N N 27 112.780 112.780 113.200 -0.420 18868 1124 1 4 . 1 1 27 27 HIS C C 27 175.067 175.067 174.122 0.945 18868 1125 1 4 . 1 1 27 27 HIS CA C 27 55.300 55.300 54.795 0.505 18868 1126 1 4 . 1 1 27 27 HIS CB C 27 30.300 30.300 30.934 -0.634 18868 1127 1 4 . 1 1 27 27 HIS H H 27 8.241 8.241 7.963 0.278 18868 1128 1 4 . 1 1 28 28 THR N N 28 106.447 106.447 110.519 -4.072 18868 1129 1 4 . 1 1 28 28 THR C C 28 174.469 174.469 173.356 1.113 18868 1130 1 4 . 1 1 28 28 THR CA C 28 60.000 60.000 60.172 -0.172 18868 1131 1 4 . 1 1 28 28 THR H H 28 7.248 7.248 7.417 -0.169 18868 1132 1 4 . 1 1 29 29 LEU N N 29 125.037 125.037 124.809 0.228 18868 1133 1 4 . 1 1 29 29 LEU C C 29 180.751 180.751 177.261 3.490 18868 1134 1 4 . 1 1 29 29 LEU CA C 29 55.200 55.200 53.522 1.679 18868 1135 1 4 . 1 1 29 29 LEU CB C 29 41.800 41.800 42.914 -1.114 18868 1136 1 4 . 1 1 29 29 LEU H H 29 9.421 9.421 8.812 0.609 18868 1137 1 4 . 1 1 30 30 SER N N 30 131.373 131.373 120.900 10.473 18868 1138 1 4 . 1 1 30 30 SER C C 30 177.946 177.946 175.948 1.998 18868 1139 1 4 . 1 1 30 30 SER CA C 30 57.900 57.900 58.207 -0.307 18868 1140 1 4 . 1 1 30 30 SER H H 30 9.312 9.312 9.481 -0.169 18868 1141 1 4 . 1 1 31 31 LYS N N 31 117.689 117.689 121.418 -3.729 18868 1142 1 4 . 1 1 31 31 LYS CA C 31 57.800 57.800 59.581 -1.781 18868 1143 1 4 . 1 1 31 31 LYS H H 31 9.659 9.659 8.892 0.767 18868 1144 1 4 . 1 1 32 32 LYS C C 32 180.677 180.677 178.851 1.826 18868 1145 1 4 . 1 1 32 32 LYS CA C 32 59.800 59.800 59.538 0.262 18868 1146 1 4 . 1 1 33 33 GLU N N 33 120.336 120.336 120.016 0.320 18868 1147 1 4 . 1 1 33 33 GLU C C 33 179.654 179.654 179.210 0.444 18868 1148 1 4 . 1 1 33 33 GLU CA C 33 59.300 59.300 59.214 0.086 18868 1149 1 4 . 1 1 33 33 GLU H H 33 7.608 7.608 7.930 -0.322 18868 1150 1 4 . 1 1 34 34 LEU N N 34 117.303 117.303 120.628 -3.325 18868 1151 1 4 . 1 1 34 34 LEU C C 34 179.420 179.420 177.926 1.494 18868 1152 1 4 . 1 1 34 34 LEU CA C 34 58.200 58.200 57.691 0.509 18868 1153 1 4 . 1 1 34 34 LEU H H 34 7.659 7.659 8.456 -0.797 18868 1154 1 4 . 1 1 35 35 LYS N N 35 116.520 116.520 119.528 -3.008 18868 1155 1 4 . 1 1 35 35 LYS CA C 35 60.700 60.700 60.044 0.656 18868 1156 1 4 . 1 1 35 35 LYS CB C 35 32.000 32.000 32.128 -0.128 18868 1157 1 4 . 1 1 35 35 LYS H H 35 7.731 7.731 7.894 -0.163 18868 1158 1 4 . 1 1 36 36 GLU N N 36 118.365 118.365 120.361 -1.996 18868 1159 1 4 . 1 1 36 36 GLU C C 36 177.868 177.868 178.580 -0.712 18868 1160 1 4 . 1 1 36 36 GLU CA C 36 59.700 59.700 59.194 0.506 18868 1161 1 4 . 1 1 36 36 GLU CB C 36 29.300 29.300 29.579 -0.279 18868 1162 1 4 . 1 1 36 36 GLU H H 36 7.871 7.871 7.773 0.098 18868 1163 1 4 . 1 1 37 37 LEU N N 37 121.068 121.068 120.441 0.627 18868 1164 1 4 . 1 1 37 37 LEU C C 37 176.731 176.731 178.549 -1.818 18868 1165 1 4 . 1 1 37 37 LEU CA C 37 59.500 59.500 57.713 1.787 18868 1166 1 4 . 1 1 37 37 LEU CB C 37 42.700 42.700 41.804 0.896 18868 1167 1 4 . 1 1 37 37 LEU H H 37 7.513 7.513 7.823 -0.310 18868 1168 1 4 . 1 1 38 38 ILE N N 38 117.867 117.867 118.429 -0.562 18868 1169 1 4 . 1 1 38 38 ILE C C 38 178.658 178.658 178.658 0.000 18868 1170 1 4 . 1 1 38 38 ILE CA C 38 65.300 65.300 65.290 0.010 18868 1171 1 4 . 1 1 38 38 ILE H H 38 8.206 8.206 7.980 0.226 18868 1172 1 4 . 1 1 39 39 GLN N N 39 114.147 114.147 117.847 -3.700 18868 1173 1 4 . 1 1 39 39 GLN C C 39 180.003 180.003 177.781 2.222 18868 1174 1 4 . 1 1 39 39 GLN CA C 39 59.500 59.500 58.694 0.805 18868 1175 1 4 . 1 1 39 39 GLN H H 39 8.238 8.238 8.240 -0.002 18868 1176 1 4 . 1 1 40 40 LYS N N 40 115.051 115.051 116.999 -1.948 18868 1177 1 4 . 1 1 40 40 LYS C C 40 180.483 180.483 178.019 2.464 18868 1178 1 4 . 1 1 40 40 LYS CA C 40 57.500 57.500 57.606 -0.106 18868 1179 1 4 . 1 1 40 40 LYS H H 40 8.298 8.298 7.706 0.592 18868 1180 1 4 . 1 1 41 41 GLU N N 41 112.448 112.448 116.377 -3.929 18868 1181 1 4 . 1 1 41 41 GLU C C 41 178.252 178.252 176.444 1.808 18868 1182 1 4 . 1 1 41 41 GLU CA C 41 55.700 55.700 55.801 -0.101 18868 1183 1 4 . 1 1 41 41 GLU H H 41 8.328 8.328 8.143 0.185 18868 1184 1 4 . 1 1 42 42 LEU N N 42 118.693 118.693 122.597 -3.904 18868 1185 1 4 . 1 1 42 42 LEU C C 42 179.377 179.377 178.069 1.308 18868 1186 1 4 . 1 1 42 42 LEU CA C 42 53.300 53.300 54.233 -0.933 18868 1187 1 4 . 1 1 42 42 LEU H H 42 7.361 7.361 7.764 -0.403 18868 1188 1 4 . 1 1 43 43 THR N N 43 125.535 125.535 122.615 2.920 18868 1189 1 4 . 1 1 43 43 THR C C 43 180.403 180.403 175.357 5.046 18868 1190 1 4 . 1 1 43 43 THR CA C 43 67.300 67.300 66.221 1.079 18868 1191 1 4 . 1 1 43 43 THR H H 43 9.926 9.926 8.757 1.169 18868 1192 1 4 . 1 1 44 44 ILE N N 44 116.467 116.467 119.165 -2.698 18868 1193 1 4 . 1 1 44 44 ILE C C 44 178.107 178.107 177.294 0.813 18868 1194 1 4 . 1 1 44 44 ILE CA C 44 62.400 62.400 59.757 2.643 18868 1195 1 4 . 1 1 44 44 ILE CB C 44 38.300 38.300 37.813 0.487 18868 1196 1 4 . 1 1 44 44 ILE H H 44 8.214 8.214 7.841 0.373 18868 1197 1 4 . 1 1 45 45 GLY N N 45 108.241 108.241 110.121 -1.880 18868 1198 1 4 . 1 1 45 45 GLY C C 45 176.355 176.355 176.167 0.188 18868 1199 1 4 . 1 1 45 45 GLY CA C 45 47.400 47.400 47.765 -0.365 18868 1200 1 4 . 1 1 45 45 GLY H H 45 7.750 7.750 8.339 -0.589 18868 1201 1 4 . 1 1 46 46 SER N N 46 113.635 113.635 114.476 -0.841 18868 1202 1 4 . 1 1 46 46 SER C C 46 176.007 176.007 175.458 0.549 18868 1203 1 4 . 1 1 46 46 SER CA C 46 60.100 60.100 60.376 -0.276 18868 1204 1 4 . 1 1 46 46 SER H H 46 7.847 7.847 8.334 -0.487 18868 1205 1 4 . 1 1 47 47 LYS N N 47 119.437 119.437 119.570 -0.133 18868 1206 1 4 . 1 1 47 47 LYS C C 47 178.100 178.100 176.759 1.341 18868 1207 1 4 . 1 1 47 47 LYS CA C 47 56.000 56.000 56.039 -0.039 18868 1208 1 4 . 1 1 47 47 LYS CB C 47 33.400 33.400 33.335 0.065 18868 1209 1 4 . 1 1 47 47 LYS H H 47 7.709 7.709 7.577 0.132 18868 1210 1 4 . 1 1 48 48 LEU N N 48 120.169 120.169 121.673 -1.504 18868 1211 1 4 . 1 1 48 48 LEU C C 48 178.009 178.009 176.910 1.099 18868 1212 1 4 . 1 1 48 48 LEU CA C 48 55.000 55.000 54.914 0.086 18868 1213 1 4 . 1 1 48 48 LEU H H 48 7.139 7.139 7.431 -0.292 18868 1214 1 4 . 1 1 49 49 GLN N N 49 121.739 121.739 121.282 0.457 18868 1215 1 4 . 1 1 49 49 GLN C C 49 179.051 179.051 176.632 2.419 18868 1216 1 4 . 1 1 49 49 GLN CA C 49 55.800 55.800 56.025 -0.225 18868 1217 1 4 . 1 1 49 49 GLN H H 49 7.917 7.917 8.353 -0.436 18868 1218 1 4 . 1 1 50 50 ASP N N 50 119.121 119.121 123.272 -4.151 18868 1219 1 4 . 1 1 50 50 ASP C C 50 178.335 178.335 178.108 0.227 18868 1220 1 4 . 1 1 50 50 ASP CA C 50 59.300 59.300 57.704 1.596 18868 1221 1 4 . 1 1 50 50 ASP H H 50 7.597 7.597 8.879 -1.282 18868 1222 1 4 . 1 1 51 51 ALA N N 51 116.624 116.624 121.842 -5.218 18868 1223 1 4 . 1 1 51 51 ALA C C 51 181.587 181.587 179.842 1.745 18868 1224 1 4 . 1 1 51 51 ALA CA C 51 57.700 57.700 55.026 2.674 18868 1225 1 4 . 1 1 51 51 ALA H H 51 7.560 7.560 8.357 -0.797 18868 1226 1 4 . 1 1 52 52 GLU N N 52 118.931 118.931 118.744 0.187 18868 1227 1 4 . 1 1 52 52 GLU C C 52 180.495 180.495 179.050 1.445 18868 1228 1 4 . 1 1 52 52 GLU CA C 52 58.900 58.900 58.595 0.305 18868 1229 1 4 . 1 1 52 52 GLU H H 52 8.511 8.511 7.512 0.999 18868 1230 1 4 . 1 1 53 53 ILE N N 53 120.400 120.400 120.713 -0.313 18868 1231 1 4 . 1 1 53 53 ILE CA C 53 59.000 59.000 65.307 -6.307 18868 1232 1 4 . 1 1 53 53 ILE H H 53 7.905 7.905 8.110 -0.205 18868 1233 1 4 . 1 1 54 54 ALA C C 54 181.477 181.477 179.284 2.193 18868 1234 1 4 . 1 1 54 54 ALA CA C 54 55.600 55.600 55.318 0.282 18868 1235 1 4 . 1 1 55 55 ARG N N 55 118.315 118.315 119.129 -0.814 18868 1236 1 4 . 1 1 55 55 ARG C C 55 179.468 179.468 178.158 1.310 18868 1237 1 4 . 1 1 55 55 ARG CA C 55 59.100 59.100 59.177 -0.077 18868 1238 1 4 . 1 1 55 55 ARG H H 55 7.448 7.448 7.838 -0.390 18868 1239 1 4 . 1 1 56 56 LEU N N 56 120.310 120.310 121.704 -1.394 18868 1240 1 4 . 1 1 56 56 LEU C C 56 179.984 179.984 178.534 1.450 18868 1241 1 4 . 1 1 56 56 LEU CA C 56 58.000 58.000 58.083 -0.083 18868 1242 1 4 . 1 1 56 56 LEU H H 56 7.672 7.672 8.281 -0.609 18868 1243 1 4 . 1 1 57 57 MET N N 57 115.780 115.780 116.635 -0.855 18868 1244 1 4 . 1 1 57 57 MET C C 57 179.083 179.083 178.592 0.491 18868 1245 1 4 . 1 1 57 57 MET H H 57 8.354 8.354 8.342 0.012 18868 1246 1 4 . 1 1 58 58 GLU N N 58 117.826 117.826 120.632 -2.806 18868 1247 1 4 . 1 1 58 58 GLU C C 58 179.161 179.161 178.936 0.225 18868 1248 1 4 . 1 1 58 58 GLU CA C 58 59.300 59.300 59.456 -0.156 18868 1249 1 4 . 1 1 58 58 GLU CB C 58 31.100 31.100 29.268 1.832 18868 1250 1 4 . 1 1 58 58 GLU H H 58 7.620 7.620 8.091 -0.471 18868 1251 1 4 . 1 1 59 59 ASP N N 59 117.801 117.801 119.651 -1.850 18868 1252 1 4 . 1 1 59 59 ASP CA C 59 57.200 57.200 56.997 0.203 18868 1253 1 4 . 1 1 59 59 ASP H H 59 8.693 8.693 8.129 0.564 18868 1254 1 4 . 1 1 60 60 LEU N N 60 117.370 117.370 118.558 -1.188 18868 1255 1 4 . 1 1 60 60 LEU C C 60 179.216 179.216 177.481 1.735 18868 1256 1 4 . 1 1 60 60 LEU CA C 60 56.200 56.200 57.089 -0.889 18868 1257 1 4 . 1 1 60 60 LEU H H 60 8.159 8.159 7.782 0.377 18868 1258 1 4 . 1 1 61 61 ASP N N 61 117.835 117.835 116.956 0.879 18868 1259 1 4 . 1 1 61 61 ASP C C 61 178.473 178.473 176.520 1.953 18868 1260 1 4 . 1 1 61 61 ASP CA C 61 52.800 52.800 53.363 -0.563 18868 1261 1 4 . 1 1 61 61 ASP CB C 61 39.100 39.100 40.499 -1.399 18868 1262 1 4 . 1 1 61 61 ASP H H 61 7.559 7.559 7.584 -0.025 18868 1263 1 4 . 1 1 62 62 ARG N N 62 125.783 125.783 126.684 -0.901 18868 1264 1 4 . 1 1 62 62 ARG C C 62 178.519 178.519 177.822 0.697 18868 1265 1 4 . 1 1 62 62 ARG CA C 62 58.500 58.500 57.513 0.987 18868 1266 1 4 . 1 1 62 62 ARG CB C 62 30.200 30.200 30.231 -0.031 18868 1267 1 4 . 1 1 62 62 ARG H H 62 7.839 7.839 8.565 -0.726 18868 1268 1 4 . 1 1 63 63 ASN N N 63 112.348 112.348 116.849 -4.501 18868 1269 1 4 . 1 1 63 63 ASN C C 63 175.597 175.597 175.066 0.531 18868 1270 1 4 . 1 1 63 63 ASN CA C 63 51.900 51.900 53.117 -1.217 18868 1271 1 4 . 1 1 63 63 ASN CB C 63 36.700 36.700 38.372 -1.672 18868 1272 1 4 . 1 1 63 63 ASN H H 63 7.899 7.899 7.974 -0.075 18868 1273 1 4 . 1 1 64 64 LYS N N 64 114.407 114.407 117.153 -2.746 18868 1274 1 4 . 1 1 64 64 LYS C C 64 176.731 176.731 175.486 1.245 18868 1275 1 4 . 1 1 64 64 LYS CA C 64 59.500 59.500 57.334 2.166 18868 1276 1 4 . 1 1 64 64 LYS H H 64 7.485 7.485 8.304 -0.819 18868 1277 1 4 . 1 1 65 65 ASP N N 65 117.880 117.880 119.146 -1.266 18868 1278 1 4 . 1 1 65 65 ASP C C 65 177.981 177.981 176.632 1.349 18868 1279 1 4 . 1 1 65 65 ASP CA C 65 52.900 52.900 53.896 -0.996 18868 1280 1 4 . 1 1 65 65 ASP H H 65 8.184 8.184 8.429 -0.245 18868 1281 1 4 . 1 1 66 66 GLN N N 66 114.037 114.037 113.090 0.947 18868 1282 1 4 . 1 1 66 66 GLN C C 66 175.374 175.374 174.106 1.268 18868 1283 1 4 . 1 1 66 66 GLN CA C 66 57.900 57.900 57.976 -0.076 18868 1284 1 4 . 1 1 66 66 GLN CB C 66 26.200 26.200 26.420 -0.220 18868 1285 1 4 . 1 1 66 66 GLN H H 66 9.917 9.917 8.216 1.701 18868 1286 1 4 . 1 1 67 67 GLU N N 67 117.611 117.611 116.968 0.643 18868 1287 1 4 . 1 1 67 67 GLU C C 67 176.826 176.826 175.923 0.903 18868 1288 1 4 . 1 1 67 67 GLU CA C 67 54.000 54.000 54.358 -0.358 18868 1289 1 4 . 1 1 67 67 GLU CB C 67 33.100 33.100 32.848 0.252 18868 1290 1 4 . 1 1 67 67 GLU H H 67 7.800 7.800 7.766 0.034 18868 1291 1 4 . 1 1 68 68 VAL N N 68 126.064 126.064 126.156 -0.092 18868 1292 1 4 . 1 1 68 68 VAL C C 68 177.398 177.398 175.696 1.702 18868 1293 1 4 . 1 1 68 68 VAL CA C 68 61.100 61.100 61.503 -0.403 18868 1294 1 4 . 1 1 68 68 VAL CB C 68 33.300 33.300 32.033 1.267 18868 1295 1 4 . 1 1 68 68 VAL H H 68 9.656 9.656 8.612 1.044 18868 1296 1 4 . 1 1 69 69 ASN N N 69 127.002 127.002 126.565 0.437 18868 1297 1 4 . 1 1 69 69 ASN C C 69 175.438 175.438 176.169 -0.731 18868 1298 1 4 . 1 1 69 69 ASN CA C 69 51.200 51.200 52.607 -1.407 18868 1299 1 4 . 1 1 69 69 ASN H H 69 9.036 9.036 8.164 0.872 18868 1300 1 4 . 1 1 70 70 PHE N N 70 119.437 119.437 119.360 0.077 18868 1301 1 4 . 1 1 70 70 PHE C C 70 177.652 177.652 177.244 0.408 18868 1302 1 4 . 1 1 70 70 PHE CA C 70 63.300 63.300 61.943 1.357 18868 1303 1 4 . 1 1 70 70 PHE H H 70 9.055 9.055 9.008 0.047 18868 1304 1 4 . 1 1 71 71 GLN N N 71 117.576 117.576 117.179 0.397 18868 1305 1 4 . 1 1 71 71 GLN C C 71 180.488 180.488 178.467 2.021 18868 1306 1 4 . 1 1 71 71 GLN CA C 71 60.100 60.100 59.021 1.079 18868 1307 1 4 . 1 1 71 71 GLN CB C 71 27.900 27.900 28.378 -0.478 18868 1308 1 4 . 1 1 71 71 GLN H H 71 8.273 8.273 8.245 0.028 18868 1309 1 4 . 1 1 72 72 GLU N N 72 119.971 119.971 120.141 -0.170 18868 1310 1 4 . 1 1 72 72 GLU C C 72 179.001 179.001 178.660 0.341 18868 1311 1 4 . 1 1 72 72 GLU CA C 72 58.700 58.700 58.544 0.156 18868 1312 1 4 . 1 1 72 72 GLU H H 72 8.631 8.631 7.869 0.762 18868 1313 1 4 . 1 1 73 73 TYR N N 73 120.475 120.475 121.666 -1.191 18868 1314 1 4 . 1 1 73 73 TYR C C 73 180.040 180.040 177.261 2.779 18868 1315 1 4 . 1 1 73 73 TYR H H 73 7.721 7.721 7.918 -0.197 18868 1316 1 4 . 1 1 74 74 VAL N N 74 119.604 119.604 118.428 1.176 18868 1317 1 4 . 1 1 74 74 VAL C C 74 177.821 177.821 177.757 0.064 18868 1318 1 4 . 1 1 74 74 VAL CA C 74 60.200 60.200 66.959 -6.759 18868 1319 1 4 . 1 1 74 74 VAL CB C 74 33.800 33.800 31.248 2.552 18868 1320 1 4 . 1 1 74 74 VAL H H 74 8.147 8.147 7.706 0.441 18868 1321 1 4 . 1 1 75 75 THR N N 75 124.638 124.638 117.302 7.336 18868 1322 1 4 . 1 1 75 75 THR C C 75 179.971 179.971 176.514 3.457 18868 1323 1 4 . 1 1 75 75 THR CA C 75 60.600 60.600 66.472 -5.872 18868 1324 1 4 . 1 1 75 75 THR H H 75 7.714 7.714 7.390 0.324 18868 1325 1 4 . 1 1 76 76 PHE N N 76 116.963 116.963 122.805 -5.842 18868 1326 1 4 . 1 1 76 76 PHE C C 76 177.695 177.695 176.705 0.990 18868 1327 1 4 . 1 1 76 76 PHE CA C 76 60.000 60.000 60.732 -0.732 18868 1328 1 4 . 1 1 76 76 PHE H H 76 7.864 7.864 7.473 0.391 18868 1329 1 4 . 1 1 77 77 LEU N N 77 117.568 117.568 118.670 -1.102 18868 1330 1 4 . 1 1 77 77 LEU C C 77 180.668 180.668 178.765 1.903 18868 1331 1 4 . 1 1 77 77 LEU CA C 77 57.800 57.800 57.246 0.554 18868 1332 1 4 . 1 1 77 77 LEU H H 77 7.913 7.913 7.665 0.248 18868 1333 1 4 . 1 1 78 78 GLY N N 78 104.257 104.257 106.208 -1.951 18868 1334 1 4 . 1 1 78 78 GLY C C 78 176.062 176.062 175.291 0.771 18868 1335 1 4 . 1 1 78 78 GLY CA C 78 47.600 47.600 47.004 0.596 18868 1336 1 4 . 1 1 78 78 GLY H H 78 8.057 8.057 8.546 -0.489 18868 1337 1 4 . 1 1 79 79 ALA N N 79 124.122 124.122 124.916 -0.794 18868 1338 1 4 . 1 1 79 79 ALA C C 79 182.313 182.313 179.583 2.730 18868 1339 1 4 . 1 1 79 79 ALA CA C 79 55.100 55.100 54.719 0.381 18868 1340 1 4 . 1 1 79 79 ALA H H 79 7.804 7.804 7.671 0.133 18868 1341 1 4 . 1 1 80 80 LEU N N 80 117.976 117.976 118.963 -0.987 18868 1342 1 4 . 1 1 80 80 LEU C C 80 178.389 178.389 179.015 -0.626 18868 1343 1 4 . 1 1 80 80 LEU CA C 80 57.400 57.400 57.624 -0.224 18868 1344 1 4 . 1 1 80 80 LEU H H 80 8.045 8.045 7.916 0.129 18868 1345 1 4 . 1 1 81 81 ALA N N 81 121.199 121.199 122.208 -1.009 18868 1346 1 4 . 1 1 81 81 ALA C C 81 181.617 181.617 179.696 1.921 18868 1347 1 4 . 1 1 81 81 ALA CA C 81 55.300 55.300 55.193 0.107 18868 1348 1 4 . 1 1 81 81 ALA H H 81 8.152 8.152 8.018 0.134 18868 1349 1 4 . 1 1 82 82 LEU N N 82 117.392 117.392 119.272 -1.880 18868 1350 1 4 . 1 1 82 82 LEU C C 82 180.828 180.828 179.087 1.741 18868 1351 1 4 . 1 1 82 82 LEU CA C 82 58.800 58.800 57.831 0.969 18868 1352 1 4 . 1 1 82 82 LEU H H 82 7.238 7.238 7.958 -0.720 18868 1353 1 4 . 1 1 83 83 ILE N N 83 124.342 124.342 120.261 4.081 18868 1354 1 4 . 1 1 83 83 ILE C C 83 177.495 177.495 178.590 -1.095 18868 1355 1 4 . 1 1 83 83 ILE CA C 83 60.500 60.500 65.664 -5.164 18868 1356 1 4 . 1 1 83 83 ILE H H 83 8.726 8.726 7.825 0.901 18868 1357 1 4 . 1 1 84 84 TYR N N 84 120.026 120.026 118.253 1.773 18868 1358 1 4 . 1 1 84 84 TYR C C 84 177.236 177.236 178.089 -0.853 18868 1359 1 4 . 1 1 84 84 TYR CA C 84 56.900 56.900 62.335 -5.435 18868 1360 1 4 . 1 1 84 84 TYR H H 84 8.241 8.241 8.009 0.232 18868 1361 1 4 . 1 1 85 85 ASN N N 85 117.125 117.125 117.331 -0.206 18868 1362 1 4 . 1 1 85 85 ASN C C 85 175.508 175.508 177.633 -2.125 18868 1363 1 4 . 1 1 85 85 ASN CA C 85 56.600 56.600 56.284 0.316 18868 1364 1 4 . 1 1 85 85 ASN H H 85 7.681 7.681 8.288 -0.607 18868 1365 1 4 . 1 1 86 86 GLU N N 86 119.756 119.756 120.180 -0.424 18868 1366 1 4 . 1 1 86 86 GLU C C 86 177.821 177.821 178.669 -0.848 18868 1367 1 4 . 1 1 86 86 GLU H H 86 8.790 8.790 8.349 0.441 18868 1368 1 4 . 1 1 87 87 ALA N N 87 112.780 112.780 122.655 -9.875 18868 1369 1 4 . 1 1 87 87 ALA H H 87 8.241 8.241 7.623 0.618 18868 1370 1 4 . 1 1 88 88 LEU N N 88 118.627 118.627 117.046 1.581 18868 1371 1 4 . 1 1 88 88 LEU CA C 88 57.900 57.900 56.856 1.044 18868 1372 1 4 . 1 1 88 88 LEU H H 88 8.384 8.384 7.594 0.790 18868 1373 1 4 . 1 1 89 89 LYS N N 89 118.552 118.552 117.328 1.224 18868 1374 1 4 . 1 1 89 89 LYS C C 89 177.332 177.332 177.431 -0.099 18868 1375 1 4 . 1 1 89 89 LYS CA C 89 56.900 56.900 57.278 -0.378 18868 1376 1 4 . 1 1 89 89 LYS H H 89 7.854 7.854 7.526 0.328 18868 1377 1 5 . 1 1 3 3 SER N N 3 118.627 118.627 116.919 1.708 18868 1378 1 5 . 1 1 3 3 SER H H 3 8.384 8.384 8.588 -0.204 18868 1379 1 5 . 1 1 4 4 PRO C C 4 180.814 180.814 178.832 1.982 18868 1380 1 5 . 1 1 4 4 PRO CA C 4 66.500 66.500 66.011 0.489 18868 1381 1 5 . 1 1 5 5 LEU N N 5 119.501 119.501 117.797 1.704 18868 1382 1 5 . 1 1 5 5 LEU C C 5 179.272 179.272 178.422 0.850 18868 1383 1 5 . 1 1 5 5 LEU CA C 5 58.600 58.600 58.292 0.308 18868 1384 1 5 . 1 1 5 5 LEU H H 5 9.386 9.386 8.050 1.336 18868 1385 1 5 . 1 1 6 6 ASP N N 6 119.191 119.191 118.882 0.309 18868 1386 1 5 . 1 1 6 6 ASP C C 6 182.313 182.313 178.916 3.397 18868 1387 1 5 . 1 1 6 6 ASP CA C 6 58.000 58.000 57.948 0.052 18868 1388 1 5 . 1 1 6 6 ASP H H 6 7.912 7.912 8.045 -0.133 18868 1389 1 5 . 1 1 7 7 GLN N N 7 117.979 117.979 118.832 -0.853 18868 1390 1 5 . 1 1 7 7 GLN C C 7 179.998 179.998 178.437 1.561 18868 1391 1 5 . 1 1 7 7 GLN CA C 7 58.900 58.900 58.484 0.416 18868 1392 1 5 . 1 1 7 7 GLN H H 7 8.065 8.065 8.314 -0.249 18868 1393 1 5 . 1 1 8 8 ALA N N 8 124.008 124.008 123.515 0.493 18868 1394 1 5 . 1 1 8 8 ALA CA C 8 55.500 55.500 55.269 0.231 18868 1395 1 5 . 1 1 8 8 ALA H H 8 8.159 8.159 8.029 0.130 18868 1396 1 5 . 1 1 9 9 ILE C C 9 179.258 179.258 178.435 0.823 18868 1397 1 5 . 1 1 9 9 ILE CA C 9 64.900 64.900 63.114 1.786 18868 1398 1 5 . 1 1 10 10 GLY N N 10 105.447 105.447 108.374 -2.927 18868 1399 1 5 . 1 1 10 10 GLY C C 10 177.984 177.984 176.146 1.838 18868 1400 1 5 . 1 1 10 10 GLY CA C 10 47.300 47.300 47.153 0.147 18868 1401 1 5 . 1 1 10 10 GLY H H 10 8.062 8.062 8.350 -0.288 18868 1402 1 5 . 1 1 11 11 LEU N N 11 124.755 124.755 123.029 1.726 18868 1403 1 5 . 1 1 11 11 LEU C C 11 178.346 178.346 178.545 -0.199 18868 1404 1 5 . 1 1 11 11 LEU CA C 11 58.000 58.000 57.709 0.291 18868 1405 1 5 . 1 1 11 11 LEU H H 11 8.067 8.067 8.085 -0.018 18868 1406 1 5 . 1 1 12 12 LEU N N 12 121.609 121.609 119.052 2.557 18868 1407 1 5 . 1 1 12 12 LEU C C 12 182.560 182.560 179.781 2.779 18868 1408 1 5 . 1 1 12 12 LEU CA C 12 59.000 59.000 57.987 1.013 18868 1409 1 5 . 1 1 12 12 LEU H H 12 7.997 7.997 7.985 0.012 18868 1410 1 5 . 1 1 13 13 VAL N N 13 119.951 119.951 119.391 0.560 18868 1411 1 5 . 1 1 13 13 VAL C C 13 178.016 178.016 178.177 -0.161 18868 1412 1 5 . 1 1 13 13 VAL CA C 13 67.100 67.100 65.507 1.593 18868 1413 1 5 . 1 1 13 13 VAL H H 13 8.087 8.087 8.364 -0.277 18868 1414 1 5 . 1 1 14 14 ALA N N 14 122.867 122.867 123.281 -0.414 18868 1415 1 5 . 1 1 14 14 ALA C C 14 175.380 175.380 180.079 -4.699 18868 1416 1 5 . 1 1 14 14 ALA CA C 14 55.600 55.600 55.429 0.171 18868 1417 1 5 . 1 1 14 14 ALA H H 14 8.363 8.363 8.066 0.297 18868 1418 1 5 . 1 1 15 15 ILE N N 15 118.496 118.496 119.116 -0.620 18868 1419 1 5 . 1 1 15 15 ILE C C 15 178.058 178.058 177.600 0.458 18868 1420 1 5 . 1 1 15 15 ILE CA C 15 64.800 64.800 65.331 -0.531 18868 1421 1 5 . 1 1 15 15 ILE H H 15 8.787 8.787 7.995 0.792 18868 1422 1 5 . 1 1 16 16 PHE N N 16 119.259 119.259 120.234 -0.975 18868 1423 1 5 . 1 1 16 16 PHE H H 16 7.171 7.171 7.600 -0.429 18868 1424 1 5 . 1 1 17 17 HIS C C 17 178.660 178.660 178.051 0.609 18868 1425 1 5 . 1 1 17 17 HIS CA C 17 54.800 54.800 59.020 -4.220 18868 1426 1 5 . 1 1 17 17 HIS CB C 17 30.000 30.000 29.611 0.389 18868 1427 1 5 . 1 1 18 18 LYS N N 18 122.924 122.924 120.428 2.496 18868 1428 1 5 . 1 1 18 18 LYS C C 18 180.221 180.221 178.334 1.887 18868 1429 1 5 . 1 1 18 18 LYS CA C 18 58.800 58.800 59.381 -0.581 18868 1430 1 5 . 1 1 18 18 LYS CB C 18 40.200 40.200 32.423 7.777 18868 1431 1 5 . 1 1 18 18 LYS H H 18 8.880 8.880 7.998 0.882 18868 1432 1 5 . 1 1 19 19 TYR N N 19 120.227 120.227 115.604 4.623 18868 1433 1 5 . 1 1 19 19 TYR C C 19 178.435 178.435 177.798 0.637 18868 1434 1 5 . 1 1 19 19 TYR CA C 19 55.300 55.300 59.841 -4.541 18868 1435 1 5 . 1 1 19 19 TYR H H 19 8.879 8.879 7.722 1.157 18868 1436 1 5 . 1 1 20 20 SER N N 20 119.760 119.760 116.761 2.999 18868 1437 1 5 . 1 1 20 20 SER C C 20 178.376 178.376 176.466 1.910 18868 1438 1 5 . 1 1 20 20 SER CA C 20 56.900 56.900 60.637 -3.737 18868 1439 1 5 . 1 1 20 20 SER CB C 20 61.700 61.700 62.430 -0.730 18868 1440 1 5 . 1 1 20 20 SER H H 20 7.557 7.557 8.041 -0.484 18868 1441 1 5 . 1 1 21 21 GLY N N 21 111.202 111.202 107.957 3.245 18868 1442 1 5 . 1 1 21 21 GLY C C 21 174.862 174.862 175.089 -0.227 18868 1443 1 5 . 1 1 21 21 GLY CA C 21 45.600 45.600 44.814 0.786 18868 1444 1 5 . 1 1 21 21 GLY H H 21 7.696 7.696 7.525 0.171 18868 1445 1 5 . 1 1 22 22 ARG N N 22 122.200 122.200 119.405 2.795 18868 1446 1 5 . 1 1 22 22 ARG C C 22 178.336 178.336 176.863 1.473 18868 1447 1 5 . 1 1 22 22 ARG CA C 22 59.500 59.500 57.729 1.771 18868 1448 1 5 . 1 1 22 22 ARG CB C 22 30.500 30.500 30.849 -0.349 18868 1449 1 5 . 1 1 22 22 ARG H H 22 7.311 7.311 7.649 -0.338 18868 1450 1 5 . 1 1 23 23 GLU N N 23 115.984 115.984 115.927 0.057 18868 1451 1 5 . 1 1 23 23 GLU C C 23 177.129 177.129 176.071 1.058 18868 1452 1 5 . 1 1 23 23 GLU CA C 23 54.300 54.300 55.309 -1.009 18868 1453 1 5 . 1 1 23 23 GLU CB C 23 33.200 33.200 32.256 0.944 18868 1454 1 5 . 1 1 23 23 GLU H H 23 9.488 9.488 8.598 0.890 18868 1455 1 5 . 1 1 24 24 GLY N N 24 114.031 114.031 110.833 3.198 18868 1456 1 5 . 1 1 24 24 GLY C C 24 174.499 174.499 174.060 0.439 18868 1457 1 5 . 1 1 24 24 GLY CA C 24 45.900 45.900 45.343 0.557 18868 1458 1 5 . 1 1 24 24 GLY H H 24 9.048 9.048 8.463 0.585 18868 1459 1 5 . 1 1 25 25 ASP N N 25 125.634 125.634 121.114 4.520 18868 1460 1 5 . 1 1 25 25 ASP C C 25 177.998 177.998 177.683 0.315 18868 1461 1 5 . 1 1 25 25 ASP CA C 25 55.000 55.000 53.831 1.169 18868 1462 1 5 . 1 1 25 25 ASP H H 25 8.249 8.249 8.447 -0.198 18868 1463 1 5 . 1 1 26 26 LYS N N 26 121.469 121.469 125.339 -3.870 18868 1464 1 5 . 1 1 26 26 LYS CA C 26 57.600 57.600 58.097 -0.497 18868 1465 1 5 . 1 1 26 26 LYS CB C 26 37.800 37.800 32.507 5.293 18868 1466 1 5 . 1 1 26 26 LYS H H 26 9.043 9.043 8.542 0.501 18868 1467 1 5 . 1 1 27 27 HIS N N 27 112.780 112.780 113.303 -0.523 18868 1468 1 5 . 1 1 27 27 HIS C C 27 175.067 175.067 174.128 0.939 18868 1469 1 5 . 1 1 27 27 HIS CA C 27 55.300 55.300 54.763 0.537 18868 1470 1 5 . 1 1 27 27 HIS CB C 27 30.300 30.300 30.963 -0.663 18868 1471 1 5 . 1 1 27 27 HIS H H 27 8.241 8.241 7.970 0.271 18868 1472 1 5 . 1 1 28 28 THR N N 28 106.447 106.447 110.511 -4.064 18868 1473 1 5 . 1 1 28 28 THR C C 28 174.469 174.469 173.350 1.119 18868 1474 1 5 . 1 1 28 28 THR CA C 28 60.000 60.000 60.137 -0.137 18868 1475 1 5 . 1 1 28 28 THR H H 28 7.248 7.248 7.417 -0.169 18868 1476 1 5 . 1 1 29 29 LEU N N 29 125.037 125.037 124.779 0.258 18868 1477 1 5 . 1 1 29 29 LEU C C 29 180.751 180.751 177.284 3.467 18868 1478 1 5 . 1 1 29 29 LEU CA C 29 55.200 55.200 53.491 1.709 18868 1479 1 5 . 1 1 29 29 LEU CB C 29 41.800 41.800 42.832 -1.032 18868 1480 1 5 . 1 1 29 29 LEU H H 29 9.421 9.421 8.797 0.624 18868 1481 1 5 . 1 1 30 30 SER N N 30 131.373 131.373 121.011 10.362 18868 1482 1 5 . 1 1 30 30 SER C C 30 177.946 177.946 175.874 2.072 18868 1483 1 5 . 1 1 30 30 SER CA C 30 57.900 57.900 58.089 -0.189 18868 1484 1 5 . 1 1 30 30 SER H H 30 9.312 9.312 9.492 -0.180 18868 1485 1 5 . 1 1 31 31 LYS N N 31 117.689 117.689 121.437 -3.748 18868 1486 1 5 . 1 1 31 31 LYS CA C 31 57.800 57.800 59.518 -1.718 18868 1487 1 5 . 1 1 31 31 LYS H H 31 9.659 9.659 8.879 0.780 18868 1488 1 5 . 1 1 32 32 LYS C C 32 180.677 180.677 178.850 1.827 18868 1489 1 5 . 1 1 32 32 LYS CA C 32 59.800 59.800 59.527 0.273 18868 1490 1 5 . 1 1 33 33 GLU N N 33 120.336 120.336 120.016 0.320 18868 1491 1 5 . 1 1 33 33 GLU C C 33 179.654 179.654 179.219 0.435 18868 1492 1 5 . 1 1 33 33 GLU CA C 33 59.300 59.300 59.229 0.071 18868 1493 1 5 . 1 1 33 33 GLU H H 33 7.608 7.608 7.935 -0.327 18868 1494 1 5 . 1 1 34 34 LEU N N 34 117.303 117.303 120.635 -3.332 18868 1495 1 5 . 1 1 34 34 LEU C C 34 179.420 179.420 177.918 1.502 18868 1496 1 5 . 1 1 34 34 LEU CA C 34 58.200 58.200 57.687 0.513 18868 1497 1 5 . 1 1 34 34 LEU H H 34 7.659 7.659 8.459 -0.800 18868 1498 1 5 . 1 1 35 35 LYS N N 35 116.520 116.520 119.525 -3.005 18868 1499 1 5 . 1 1 35 35 LYS CA C 35 60.700 60.700 60.045 0.655 18868 1500 1 5 . 1 1 35 35 LYS CB C 35 32.000 32.000 32.128 -0.128 18868 1501 1 5 . 1 1 35 35 LYS H H 35 7.731 7.731 7.893 -0.162 18868 1502 1 5 . 1 1 36 36 GLU N N 36 118.365 118.365 120.362 -1.997 18868 1503 1 5 . 1 1 36 36 GLU C C 36 177.868 177.868 178.579 -0.711 18868 1504 1 5 . 1 1 36 36 GLU CA C 36 59.700 59.700 59.214 0.486 18868 1505 1 5 . 1 1 36 36 GLU CB C 36 29.300 29.300 29.621 -0.321 18868 1506 1 5 . 1 1 36 36 GLU H H 36 7.871 7.871 7.780 0.091 18868 1507 1 5 . 1 1 37 37 LEU N N 37 121.068 121.068 120.378 0.690 18868 1508 1 5 . 1 1 37 37 LEU C C 37 176.731 176.731 178.504 -1.773 18868 1509 1 5 . 1 1 37 37 LEU CA C 37 59.500 59.500 57.544 1.956 18868 1510 1 5 . 1 1 37 37 LEU CB C 37 42.700 42.700 41.653 1.047 18868 1511 1 5 . 1 1 37 37 LEU H H 37 7.513 7.513 7.777 -0.264 18868 1512 1 5 . 1 1 38 38 ILE N N 38 117.867 117.867 118.401 -0.534 18868 1513 1 5 . 1 1 38 38 ILE C C 38 178.658 178.658 178.656 0.002 18868 1514 1 5 . 1 1 38 38 ILE CA C 38 65.300 65.300 65.285 0.015 18868 1515 1 5 . 1 1 38 38 ILE H H 38 8.206 8.206 7.958 0.248 18868 1516 1 5 . 1 1 39 39 GLN N N 39 114.147 114.147 117.848 -3.701 18868 1517 1 5 . 1 1 39 39 GLN C C 39 180.003 180.003 177.785 2.218 18868 1518 1 5 . 1 1 39 39 GLN CA C 39 59.500 59.500 58.699 0.801 18868 1519 1 5 . 1 1 39 39 GLN H H 39 8.238 8.238 8.240 -0.002 18868 1520 1 5 . 1 1 40 40 LYS N N 40 115.051 115.051 117.013 -1.962 18868 1521 1 5 . 1 1 40 40 LYS C C 40 180.483 180.483 178.035 2.448 18868 1522 1 5 . 1 1 40 40 LYS CA C 40 57.500 57.500 57.631 -0.131 18868 1523 1 5 . 1 1 40 40 LYS H H 40 8.298 8.298 7.717 0.581 18868 1524 1 5 . 1 1 41 41 GLU N N 41 112.448 112.448 116.434 -3.986 18868 1525 1 5 . 1 1 41 41 GLU C C 41 178.252 178.252 176.473 1.779 18868 1526 1 5 . 1 1 41 41 GLU CA C 41 55.700 55.700 55.823 -0.123 18868 1527 1 5 . 1 1 41 41 GLU H H 41 8.328 8.328 8.147 0.181 18868 1528 1 5 . 1 1 42 42 LEU N N 42 118.693 118.693 122.590 -3.897 18868 1529 1 5 . 1 1 42 42 LEU C C 42 179.377 179.377 178.067 1.310 18868 1530 1 5 . 1 1 42 42 LEU CA C 42 53.300 53.300 54.227 -0.927 18868 1531 1 5 . 1 1 42 42 LEU H H 42 7.361 7.361 7.761 -0.400 18868 1532 1 5 . 1 1 43 43 THR N N 43 125.535 125.535 123.051 2.484 18868 1533 1 5 . 1 1 43 43 THR C C 43 180.403 180.403 175.739 4.664 18868 1534 1 5 . 1 1 43 43 THR CA C 43 67.300 67.300 66.453 0.847 18868 1535 1 5 . 1 1 43 43 THR H H 43 9.926 9.926 8.832 1.094 18868 1536 1 5 . 1 1 44 44 ILE N N 44 116.467 116.467 119.458 -2.991 18868 1537 1 5 . 1 1 44 44 ILE C C 44 178.107 178.107 177.066 1.041 18868 1538 1 5 . 1 1 44 44 ILE CA C 44 62.400 62.400 59.565 2.835 18868 1539 1 5 . 1 1 44 44 ILE CB C 44 38.300 38.300 37.766 0.534 18868 1540 1 5 . 1 1 44 44 ILE H H 44 8.214 8.214 7.953 0.261 18868 1541 1 5 . 1 1 45 45 GLY N N 45 108.241 108.241 110.110 -1.869 18868 1542 1 5 . 1 1 45 45 GLY C C 45 176.355 176.355 176.170 0.185 18868 1543 1 5 . 1 1 45 45 GLY CA C 45 47.400 47.400 47.757 -0.357 18868 1544 1 5 . 1 1 45 45 GLY H H 45 7.750 7.750 8.340 -0.590 18868 1545 1 5 . 1 1 46 46 SER N N 46 113.635 113.635 114.442 -0.807 18868 1546 1 5 . 1 1 46 46 SER C C 46 176.007 176.007 175.453 0.554 18868 1547 1 5 . 1 1 46 46 SER CA C 46 60.100 60.100 60.389 -0.289 18868 1548 1 5 . 1 1 46 46 SER H H 46 7.847 7.847 8.336 -0.489 18868 1549 1 5 . 1 1 47 47 LYS N N 47 119.437 119.437 119.579 -0.142 18868 1550 1 5 . 1 1 47 47 LYS C C 47 178.100 178.100 176.760 1.340 18868 1551 1 5 . 1 1 47 47 LYS CA C 47 56.000 56.000 56.041 -0.041 18868 1552 1 5 . 1 1 47 47 LYS CB C 47 33.400 33.400 33.343 0.057 18868 1553 1 5 . 1 1 47 47 LYS H H 47 7.709 7.709 7.579 0.130 18868 1554 1 5 . 1 1 48 48 LEU N N 48 120.169 120.169 121.676 -1.507 18868 1555 1 5 . 1 1 48 48 LEU C C 48 178.009 178.009 176.911 1.098 18868 1556 1 5 . 1 1 48 48 LEU CA C 48 55.000 55.000 54.917 0.083 18868 1557 1 5 . 1 1 48 48 LEU H H 48 7.139 7.139 7.433 -0.294 18868 1558 1 5 . 1 1 49 49 GLN N N 49 121.739 121.739 121.284 0.455 18868 1559 1 5 . 1 1 49 49 GLN C C 49 179.051 179.051 176.633 2.418 18868 1560 1 5 . 1 1 49 49 GLN CA C 49 55.800 55.800 56.025 -0.225 18868 1561 1 5 . 1 1 49 49 GLN H H 49 7.917 7.917 8.354 -0.437 18868 1562 1 5 . 1 1 50 50 ASP N N 50 119.121 119.121 123.275 -4.154 18868 1563 1 5 . 1 1 50 50 ASP C C 50 178.335 178.335 178.109 0.226 18868 1564 1 5 . 1 1 50 50 ASP CA C 50 59.300 59.300 57.706 1.594 18868 1565 1 5 . 1 1 50 50 ASP H H 50 7.597 7.597 8.880 -1.283 18868 1566 1 5 . 1 1 51 51 ALA N N 51 116.624 116.624 121.839 -5.215 18868 1567 1 5 . 1 1 51 51 ALA C C 51 181.587 181.587 179.842 1.745 18868 1568 1 5 . 1 1 51 51 ALA CA C 51 57.700 57.700 55.026 2.674 18868 1569 1 5 . 1 1 51 51 ALA H H 51 7.560 7.560 8.358 -0.798 18868 1570 1 5 . 1 1 52 52 GLU N N 52 118.931 118.931 118.744 0.187 18868 1571 1 5 . 1 1 52 52 GLU C C 52 180.495 180.495 179.050 1.445 18868 1572 1 5 . 1 1 52 52 GLU CA C 52 58.900 58.900 58.595 0.305 18868 1573 1 5 . 1 1 52 52 GLU H H 52 8.511 8.511 7.512 0.999 18868 1574 1 5 . 1 1 53 53 ILE N N 53 120.400 120.400 120.712 -0.312 18868 1575 1 5 . 1 1 53 53 ILE CA C 53 59.000 59.000 65.305 -6.305 18868 1576 1 5 . 1 1 53 53 ILE H H 53 7.905 7.905 8.109 -0.204 18868 1577 1 5 . 1 1 54 54 ALA C C 54 181.477 181.477 179.280 2.197 18868 1578 1 5 . 1 1 54 54 ALA CA C 54 55.600 55.600 55.315 0.285 18868 1579 1 5 . 1 1 55 55 ARG N N 55 118.315 118.315 119.132 -0.817 18868 1580 1 5 . 1 1 55 55 ARG C C 55 179.468 179.468 178.154 1.314 18868 1581 1 5 . 1 1 55 55 ARG CA C 55 59.100 59.100 59.176 -0.076 18868 1582 1 5 . 1 1 55 55 ARG H H 55 7.448 7.448 7.839 -0.391 18868 1583 1 5 . 1 1 56 56 LEU N N 56 120.310 120.310 121.707 -1.397 18868 1584 1 5 . 1 1 56 56 LEU C C 56 179.984 179.984 178.523 1.461 18868 1585 1 5 . 1 1 56 56 LEU CA C 56 58.000 58.000 58.078 -0.078 18868 1586 1 5 . 1 1 56 56 LEU H H 56 7.672 7.672 8.276 -0.604 18868 1587 1 5 . 1 1 57 57 MET N N 57 115.780 115.780 116.650 -0.870 18868 1588 1 5 . 1 1 57 57 MET C C 57 179.083 179.083 178.569 0.514 18868 1589 1 5 . 1 1 57 57 MET H H 57 8.354 8.354 8.346 0.008 18868 1590 1 5 . 1 1 58 58 GLU N N 58 117.826 117.826 120.695 -2.869 18868 1591 1 5 . 1 1 58 58 GLU C C 58 179.161 179.161 178.880 0.281 18868 1592 1 5 . 1 1 58 58 GLU CA C 58 59.300 59.300 59.488 -0.188 18868 1593 1 5 . 1 1 58 58 GLU CB C 58 31.100 31.100 29.253 1.847 18868 1594 1 5 . 1 1 58 58 GLU H H 58 7.620 7.620 8.101 -0.481 18868 1595 1 5 . 1 1 59 59 ASP N N 59 117.801 117.801 119.486 -1.685 18868 1596 1 5 . 1 1 59 59 ASP CA C 59 57.200 57.200 56.957 0.243 18868 1597 1 5 . 1 1 59 59 ASP H H 59 8.693 8.693 8.111 0.582 18868 1598 1 5 . 1 1 60 60 LEU N N 60 117.370 117.370 118.372 -1.002 18868 1599 1 5 . 1 1 60 60 LEU C C 60 179.216 179.216 177.565 1.651 18868 1600 1 5 . 1 1 60 60 LEU CA C 60 56.200 56.200 56.998 -0.798 18868 1601 1 5 . 1 1 60 60 LEU H H 60 8.159 8.159 7.759 0.400 18868 1602 1 5 . 1 1 61 61 ASP N N 61 117.835 117.835 117.188 0.647 18868 1603 1 5 . 1 1 61 61 ASP C C 61 178.473 178.473 176.579 1.894 18868 1604 1 5 . 1 1 61 61 ASP CA C 61 52.800 52.800 53.630 -0.830 18868 1605 1 5 . 1 1 61 61 ASP CB C 61 39.100 39.100 40.441 -1.341 18868 1606 1 5 . 1 1 61 61 ASP H H 61 7.559 7.559 7.636 -0.077 18868 1607 1 5 . 1 1 62 62 ARG N N 62 125.783 125.783 126.846 -1.063 18868 1608 1 5 . 1 1 62 62 ARG C C 62 178.519 178.519 177.838 0.681 18868 1609 1 5 . 1 1 62 62 ARG CA C 62 58.500 58.500 57.537 0.963 18868 1610 1 5 . 1 1 62 62 ARG CB C 62 30.200 30.200 30.212 -0.012 18868 1611 1 5 . 1 1 62 62 ARG H H 62 7.839 7.839 8.669 -0.830 18868 1612 1 5 . 1 1 63 63 ASN N N 63 112.348 112.348 116.680 -4.332 18868 1613 1 5 . 1 1 63 63 ASN C C 63 175.597 175.597 174.812 0.785 18868 1614 1 5 . 1 1 63 63 ASN CA C 63 51.900 51.900 53.283 -1.383 18868 1615 1 5 . 1 1 63 63 ASN CB C 63 36.700 36.700 38.492 -1.792 18868 1616 1 5 . 1 1 63 63 ASN H H 63 7.899 7.899 8.001 -0.102 18868 1617 1 5 . 1 1 64 64 LYS N N 64 114.407 114.407 118.543 -4.136 18868 1618 1 5 . 1 1 64 64 LYS C C 64 176.731 176.731 175.445 1.286 18868 1619 1 5 . 1 1 64 64 LYS CA C 64 59.500 59.500 57.124 2.376 18868 1620 1 5 . 1 1 64 64 LYS H H 64 7.485 7.485 8.217 -0.732 18868 1621 1 5 . 1 1 65 65 ASP N N 65 117.880 117.880 120.094 -2.214 18868 1622 1 5 . 1 1 65 65 ASP C C 65 177.981 177.981 176.356 1.625 18868 1623 1 5 . 1 1 65 65 ASP CA C 65 52.900 52.900 54.106 -1.206 18868 1624 1 5 . 1 1 65 65 ASP H H 65 8.184 8.184 8.277 -0.093 18868 1625 1 5 . 1 1 66 66 GLN N N 66 114.037 114.037 113.501 0.536 18868 1626 1 5 . 1 1 66 66 GLN C C 66 175.374 175.374 174.084 1.290 18868 1627 1 5 . 1 1 66 66 GLN CA C 66 57.900 57.900 58.083 -0.183 18868 1628 1 5 . 1 1 66 66 GLN CB C 66 26.200 26.200 26.656 -0.456 18868 1629 1 5 . 1 1 66 66 GLN H H 66 9.917 9.917 8.184 1.733 18868 1630 1 5 . 1 1 67 67 GLU N N 67 117.611 117.611 117.121 0.490 18868 1631 1 5 . 1 1 67 67 GLU C C 67 176.826 176.826 175.970 0.856 18868 1632 1 5 . 1 1 67 67 GLU CA C 67 54.000 54.000 54.354 -0.354 18868 1633 1 5 . 1 1 67 67 GLU CB C 67 33.100 33.100 32.684 0.416 18868 1634 1 5 . 1 1 67 67 GLU H H 67 7.800 7.800 7.788 0.012 18868 1635 1 5 . 1 1 68 68 VAL N N 68 126.064 126.064 126.366 -0.302 18868 1636 1 5 . 1 1 68 68 VAL C C 68 177.398 177.398 175.718 1.680 18868 1637 1 5 . 1 1 68 68 VAL CA C 68 61.100 61.100 61.523 -0.423 18868 1638 1 5 . 1 1 68 68 VAL CB C 68 33.300 33.300 32.065 1.236 18868 1639 1 5 . 1 1 68 68 VAL H H 68 9.656 9.656 8.774 0.882 18868 1640 1 5 . 1 1 69 69 ASN N N 69 127.002 127.002 126.623 0.379 18868 1641 1 5 . 1 1 69 69 ASN C C 69 175.438 175.438 176.217 -0.779 18868 1642 1 5 . 1 1 69 69 ASN CA C 69 51.200 51.200 52.660 -1.460 18868 1643 1 5 . 1 1 69 69 ASN H H 69 9.036 9.036 8.174 0.862 18868 1644 1 5 . 1 1 70 70 PHE N N 70 119.437 119.437 119.477 -0.040 18868 1645 1 5 . 1 1 70 70 PHE C C 70 177.652 177.652 177.262 0.390 18868 1646 1 5 . 1 1 70 70 PHE CA C 70 63.300 63.300 61.891 1.409 18868 1647 1 5 . 1 1 70 70 PHE H H 70 9.055 9.055 8.973 0.082 18868 1648 1 5 . 1 1 71 71 GLN N N 71 117.576 117.576 117.361 0.215 18868 1649 1 5 . 1 1 71 71 GLN C C 71 180.488 180.488 178.537 1.951 18868 1650 1 5 . 1 1 71 71 GLN CA C 71 60.100 60.100 59.142 0.958 18868 1651 1 5 . 1 1 71 71 GLN CB C 71 27.900 27.900 28.329 -0.429 18868 1652 1 5 . 1 1 71 71 GLN H H 71 8.273 8.273 8.309 -0.036 18868 1653 1 5 . 1 1 72 72 GLU N N 72 119.971 119.971 120.021 -0.050 18868 1654 1 5 . 1 1 72 72 GLU C C 72 179.001 179.001 178.746 0.255 18868 1655 1 5 . 1 1 72 72 GLU CA C 72 58.700 58.700 58.819 -0.119 18868 1656 1 5 . 1 1 72 72 GLU H H 72 8.631 8.631 7.894 0.737 18868 1657 1 5 . 1 1 73 73 TYR N N 73 120.475 120.475 121.586 -1.111 18868 1658 1 5 . 1 1 73 73 TYR C C 73 180.040 180.040 177.334 2.706 18868 1659 1 5 . 1 1 73 73 TYR H H 73 7.721 7.721 7.861 -0.140 18868 1660 1 5 . 1 1 74 74 VAL N N 74 119.604 119.604 118.773 0.831 18868 1661 1 5 . 1 1 74 74 VAL C C 74 177.821 177.821 177.815 0.006 18868 1662 1 5 . 1 1 74 74 VAL CA C 74 60.200 60.200 66.969 -6.769 18868 1663 1 5 . 1 1 74 74 VAL CB C 74 33.800 33.800 31.217 2.583 18868 1664 1 5 . 1 1 74 74 VAL H H 74 8.147 8.147 7.822 0.325 18868 1665 1 5 . 1 1 75 75 THR N N 75 124.638 124.638 117.351 7.287 18868 1666 1 5 . 1 1 75 75 THR C C 75 179.971 179.971 176.500 3.471 18868 1667 1 5 . 1 1 75 75 THR CA C 75 60.600 60.600 66.213 -5.613 18868 1668 1 5 . 1 1 75 75 THR H H 75 7.714 7.714 7.463 0.251 18868 1669 1 5 . 1 1 76 76 PHE N N 76 116.963 116.963 122.884 -5.921 18868 1670 1 5 . 1 1 76 76 PHE C C 76 177.695 177.695 176.691 1.004 18868 1671 1 5 . 1 1 76 76 PHE CA C 76 60.000 60.000 60.723 -0.723 18868 1672 1 5 . 1 1 76 76 PHE H H 76 7.864 7.864 7.534 0.330 18868 1673 1 5 . 1 1 77 77 LEU N N 77 117.568 117.568 118.593 -1.025 18868 1674 1 5 . 1 1 77 77 LEU C C 77 180.668 180.668 178.766 1.902 18868 1675 1 5 . 1 1 77 77 LEU CA C 77 57.800 57.800 57.267 0.533 18868 1676 1 5 . 1 1 77 77 LEU H H 77 7.913 7.913 7.890 0.023 18868 1677 1 5 . 1 1 78 78 GLY N N 78 104.257 104.257 106.189 -1.932 18868 1678 1 5 . 1 1 78 78 GLY C C 78 176.062 176.062 175.283 0.779 18868 1679 1 5 . 1 1 78 78 GLY CA C 78 47.600 47.600 46.994 0.606 18868 1680 1 5 . 1 1 78 78 GLY H H 78 8.057 8.057 8.443 -0.386 18868 1681 1 5 . 1 1 79 79 ALA N N 79 124.122 124.122 124.907 -0.785 18868 1682 1 5 . 1 1 79 79 ALA C C 79 182.313 182.313 179.207 3.106 18868 1683 1 5 . 1 1 79 79 ALA CA C 79 55.100 55.100 54.855 0.245 18868 1684 1 5 . 1 1 79 79 ALA H H 79 7.804 7.804 7.714 0.090 18868 1685 1 5 . 1 1 80 80 LEU N N 80 117.976 117.976 118.962 -0.986 18868 1686 1 5 . 1 1 80 80 LEU C C 80 178.389 178.389 179.014 -0.625 18868 1687 1 5 . 1 1 80 80 LEU CA C 80 57.400 57.400 57.622 -0.222 18868 1688 1 5 . 1 1 80 80 LEU H H 80 8.045 8.045 7.914 0.131 18868 1689 1 5 . 1 1 81 81 ALA N N 81 121.199 121.199 122.220 -1.021 18868 1690 1 5 . 1 1 81 81 ALA C C 81 181.617 181.617 179.696 1.921 18868 1691 1 5 . 1 1 81 81 ALA CA C 81 55.300 55.300 55.194 0.106 18868 1692 1 5 . 1 1 81 81 ALA H H 81 8.152 8.152 8.018 0.134 18868 1693 1 5 . 1 1 82 82 LEU N N 82 117.392 117.392 119.272 -1.880 18868 1694 1 5 . 1 1 82 82 LEU C C 82 180.828 180.828 179.076 1.752 18868 1695 1 5 . 1 1 82 82 LEU CA C 82 58.800 58.800 57.837 0.963 18868 1696 1 5 . 1 1 82 82 LEU H H 82 7.238 7.238 7.957 -0.719 18868 1697 1 5 . 1 1 83 83 ILE N N 83 124.342 124.342 120.228 4.114 18868 1698 1 5 . 1 1 83 83 ILE C C 83 177.495 177.495 178.556 -1.061 18868 1699 1 5 . 1 1 83 83 ILE CA C 83 60.500 60.500 65.689 -5.189 18868 1700 1 5 . 1 1 83 83 ILE H H 83 8.726 8.726 7.826 0.900 18868 1701 1 5 . 1 1 84 84 TYR N N 84 120.026 120.026 118.265 1.761 18868 1702 1 5 . 1 1 84 84 TYR C C 84 177.236 177.236 178.089 -0.853 18868 1703 1 5 . 1 1 84 84 TYR CA C 84 56.900 56.900 62.343 -5.443 18868 1704 1 5 . 1 1 84 84 TYR H H 84 8.241 8.241 8.009 0.232 18868 1705 1 5 . 1 1 85 85 ASN N N 85 117.125 117.125 117.346 -0.221 18868 1706 1 5 . 1 1 85 85 ASN C C 85 175.508 175.508 177.626 -2.118 18868 1707 1 5 . 1 1 85 85 ASN CA C 85 56.600 56.600 56.293 0.307 18868 1708 1 5 . 1 1 85 85 ASN H H 85 7.681 7.681 8.283 -0.602 18868 1709 1 5 . 1 1 86 86 GLU N N 86 119.756 119.756 120.218 -0.462 18868 1710 1 5 . 1 1 86 86 GLU C C 86 177.821 177.821 178.745 -0.924 18868 1711 1 5 . 1 1 86 86 GLU H H 86 8.790 8.790 8.349 0.441 18868 1712 1 5 . 1 1 87 87 ALA N N 87 112.780 112.780 122.397 -9.617 18868 1713 1 5 . 1 1 87 87 ALA H H 87 8.241 8.241 7.597 0.644 18868 1714 1 5 . 1 1 88 88 LEU N N 88 118.627 118.627 117.110 1.517 18868 1715 1 5 . 1 1 88 88 LEU CA C 88 57.900 57.900 56.808 1.092 18868 1716 1 5 . 1 1 88 88 LEU H H 88 8.384 8.384 7.585 0.799 18868 1717 1 5 . 1 1 89 89 LYS N N 89 118.552 118.552 117.341 1.211 18868 1718 1 5 . 1 1 89 89 LYS C C 89 177.332 177.332 177.426 -0.094 18868 1719 1 5 . 1 1 89 89 LYS CA C 89 56.900 56.900 57.402 -0.502 18868 1720 1 5 . 1 1 89 89 LYS H H 89 7.854 7.854 7.520 0.334 18868 1721 1 6 . 1 1 3 3 SER N N 3 118.627 118.627 116.905 1.722 18868 1722 1 6 . 1 1 3 3 SER H H 3 8.384 8.384 8.583 -0.199 18868 1723 1 6 . 1 1 4 4 PRO C C 4 180.814 180.814 178.837 1.977 18868 1724 1 6 . 1 1 4 4 PRO CA C 4 66.500 66.500 66.004 0.496 18868 1725 1 6 . 1 1 5 5 LEU N N 5 119.501 119.501 117.792 1.709 18868 1726 1 6 . 1 1 5 5 LEU C C 5 179.272 179.272 178.420 0.852 18868 1727 1 6 . 1 1 5 5 LEU CA C 5 58.600 58.600 58.290 0.310 18868 1728 1 6 . 1 1 5 5 LEU H H 5 9.386 9.386 8.051 1.335 18868 1729 1 6 . 1 1 6 6 ASP N N 6 119.191 119.191 118.892 0.299 18868 1730 1 6 . 1 1 6 6 ASP C C 6 182.313 182.313 178.915 3.398 18868 1731 1 6 . 1 1 6 6 ASP CA C 6 58.000 58.000 57.946 0.054 18868 1732 1 6 . 1 1 6 6 ASP H H 6 7.912 7.912 8.042 -0.130 18868 1733 1 6 . 1 1 7 7 GLN N N 7 117.979 117.979 118.827 -0.848 18868 1734 1 6 . 1 1 7 7 GLN C C 7 179.998 179.998 178.435 1.563 18868 1735 1 6 . 1 1 7 7 GLN CA C 7 58.900 58.900 58.481 0.419 18868 1736 1 6 . 1 1 7 7 GLN H H 7 8.065 8.065 8.316 -0.251 18868 1737 1 6 . 1 1 8 8 ALA N N 8 124.008 124.008 123.523 0.485 18868 1738 1 6 . 1 1 8 8 ALA CA C 8 55.500 55.500 55.270 0.230 18868 1739 1 6 . 1 1 8 8 ALA H H 8 8.159 8.159 8.029 0.130 18868 1740 1 6 . 1 1 9 9 ILE C C 9 179.258 179.258 178.430 0.828 18868 1741 1 6 . 1 1 9 9 ILE CA C 9 64.900 64.900 63.112 1.788 18868 1742 1 6 . 1 1 10 10 GLY N N 10 105.447 105.447 108.365 -2.918 18868 1743 1 6 . 1 1 10 10 GLY C C 10 177.984 177.984 176.138 1.846 18868 1744 1 6 . 1 1 10 10 GLY CA C 10 47.300 47.300 47.147 0.153 18868 1745 1 6 . 1 1 10 10 GLY H H 10 8.062 8.062 8.349 -0.287 18868 1746 1 6 . 1 1 11 11 LEU N N 11 124.755 124.755 123.023 1.732 18868 1747 1 6 . 1 1 11 11 LEU C C 11 178.346 178.346 178.538 -0.192 18868 1748 1 6 . 1 1 11 11 LEU CA C 11 58.000 58.000 57.705 0.295 18868 1749 1 6 . 1 1 11 11 LEU H H 11 8.067 8.067 8.078 -0.011 18868 1750 1 6 . 1 1 12 12 LEU N N 12 121.609 121.609 118.967 2.642 18868 1751 1 6 . 1 1 12 12 LEU C C 12 182.560 182.560 179.707 2.853 18868 1752 1 6 . 1 1 12 12 LEU CA C 12 59.000 59.000 58.008 0.992 18868 1753 1 6 . 1 1 12 12 LEU H H 12 7.997 7.997 7.975 0.022 18868 1754 1 6 . 1 1 13 13 VAL N N 13 119.951 119.951 119.372 0.579 18868 1755 1 6 . 1 1 13 13 VAL C C 13 178.016 178.016 178.167 -0.151 18868 1756 1 6 . 1 1 13 13 VAL CA C 13 67.100 67.100 65.468 1.632 18868 1757 1 6 . 1 1 13 13 VAL H H 13 8.087 8.087 8.347 -0.260 18868 1758 1 6 . 1 1 14 14 ALA N N 14 122.867 122.867 123.279 -0.412 18868 1759 1 6 . 1 1 14 14 ALA C C 14 175.380 175.380 180.079 -4.699 18868 1760 1 6 . 1 1 14 14 ALA CA C 14 55.600 55.600 55.425 0.174 18868 1761 1 6 . 1 1 14 14 ALA H H 14 8.363 8.363 8.060 0.303 18868 1762 1 6 . 1 1 15 15 ILE N N 15 118.496 118.496 119.111 -0.615 18868 1763 1 6 . 1 1 15 15 ILE C C 15 178.058 178.058 177.622 0.436 18868 1764 1 6 . 1 1 15 15 ILE CA C 15 64.800 64.800 65.331 -0.531 18868 1765 1 6 . 1 1 15 15 ILE H H 15 8.787 8.787 7.996 0.791 18868 1766 1 6 . 1 1 16 16 PHE N N 16 119.259 119.259 120.268 -1.009 18868 1767 1 6 . 1 1 16 16 PHE H H 16 7.171 7.171 7.640 -0.469 18868 1768 1 6 . 1 1 17 17 HIS C C 17 178.660 178.660 178.049 0.611 18868 1769 1 6 . 1 1 17 17 HIS CA C 17 54.800 54.800 59.016 -4.216 18868 1770 1 6 . 1 1 17 17 HIS CB C 17 30.000 30.000 29.612 0.388 18868 1771 1 6 . 1 1 18 18 LYS N N 18 122.924 122.924 120.435 2.489 18868 1772 1 6 . 1 1 18 18 LYS C C 18 180.221 180.221 178.331 1.890 18868 1773 1 6 . 1 1 18 18 LYS CA C 18 58.800 58.800 59.379 -0.579 18868 1774 1 6 . 1 1 18 18 LYS CB C 18 40.200 40.200 32.423 7.777 18868 1775 1 6 . 1 1 18 18 LYS H H 18 8.880 8.880 8.001 0.879 18868 1776 1 6 . 1 1 19 19 TYR N N 19 120.227 120.227 115.607 4.620 18868 1777 1 6 . 1 1 19 19 TYR C C 19 178.435 178.435 177.790 0.645 18868 1778 1 6 . 1 1 19 19 TYR CA C 19 55.300 55.300 59.839 -4.539 18868 1779 1 6 . 1 1 19 19 TYR H H 19 8.879 8.879 7.722 1.157 18868 1780 1 6 . 1 1 20 20 SER N N 20 119.760 119.760 116.781 2.979 18868 1781 1 6 . 1 1 20 20 SER C C 20 178.376 178.376 176.487 1.889 18868 1782 1 6 . 1 1 20 20 SER CA C 20 56.900 56.900 60.624 -3.724 18868 1783 1 6 . 1 1 20 20 SER CB C 20 61.700 61.700 62.415 -0.715 18868 1784 1 6 . 1 1 20 20 SER H H 20 7.557 7.557 8.045 -0.488 18868 1785 1 6 . 1 1 21 21 GLY N N 21 111.202 111.202 107.991 3.211 18868 1786 1 6 . 1 1 21 21 GLY C C 21 174.862 174.862 175.085 -0.223 18868 1787 1 6 . 1 1 21 21 GLY CA C 21 45.600 45.600 44.818 0.782 18868 1788 1 6 . 1 1 21 21 GLY H H 21 7.696 7.696 7.524 0.172 18868 1789 1 6 . 1 1 22 22 ARG N N 22 122.200 122.200 119.407 2.793 18868 1790 1 6 . 1 1 22 22 ARG C C 22 178.336 178.336 176.863 1.473 18868 1791 1 6 . 1 1 22 22 ARG CA C 22 59.500 59.500 57.724 1.776 18868 1792 1 6 . 1 1 22 22 ARG CB C 22 30.500 30.500 30.849 -0.349 18868 1793 1 6 . 1 1 22 22 ARG H H 22 7.311 7.311 7.650 -0.339 18868 1794 1 6 . 1 1 23 23 GLU N N 23 115.984 115.984 115.900 0.084 18868 1795 1 6 . 1 1 23 23 GLU C C 23 177.129 177.129 176.067 1.062 18868 1796 1 6 . 1 1 23 23 GLU CA C 23 54.300 54.300 55.294 -0.994 18868 1797 1 6 . 1 1 23 23 GLU CB C 23 33.200 33.200 32.262 0.938 18868 1798 1 6 . 1 1 23 23 GLU H H 23 9.488 9.488 8.538 0.950 18868 1799 1 6 . 1 1 24 24 GLY N N 24 114.031 114.031 110.915 3.116 18868 1800 1 6 . 1 1 24 24 GLY C C 24 174.499 174.499 174.053 0.446 18868 1801 1 6 . 1 1 24 24 GLY CA C 24 45.900 45.900 45.355 0.545 18868 1802 1 6 . 1 1 24 24 GLY H H 24 9.048 9.048 8.465 0.583 18868 1803 1 6 . 1 1 25 25 ASP N N 25 125.634 125.634 121.127 4.507 18868 1804 1 6 . 1 1 25 25 ASP C C 25 177.998 177.998 177.679 0.319 18868 1805 1 6 . 1 1 25 25 ASP CA C 25 55.000 55.000 53.805 1.195 18868 1806 1 6 . 1 1 25 25 ASP H H 25 8.249 8.249 8.454 -0.205 18868 1807 1 6 . 1 1 26 26 LYS N N 26 121.469 121.469 125.333 -3.864 18868 1808 1 6 . 1 1 26 26 LYS CA C 26 57.600 57.600 58.087 -0.487 18868 1809 1 6 . 1 1 26 26 LYS CB C 26 37.800 37.800 32.510 5.290 18868 1810 1 6 . 1 1 26 26 LYS H H 26 9.043 9.043 8.539 0.504 18868 1811 1 6 . 1 1 27 27 HIS N N 27 112.780 112.780 113.216 -0.436 18868 1812 1 6 . 1 1 27 27 HIS C C 27 175.067 175.067 174.197 0.870 18868 1813 1 6 . 1 1 27 27 HIS CA C 27 55.300 55.300 54.757 0.543 18868 1814 1 6 . 1 1 27 27 HIS CB C 27 30.300 30.300 30.969 -0.669 18868 1815 1 6 . 1 1 27 27 HIS H H 27 8.241 8.241 7.961 0.280 18868 1816 1 6 . 1 1 28 28 THR N N 28 106.447 106.447 110.414 -3.967 18868 1817 1 6 . 1 1 28 28 THR C C 28 174.469 174.469 173.324 1.145 18868 1818 1 6 . 1 1 28 28 THR CA C 28 60.000 60.000 60.167 -0.168 18868 1819 1 6 . 1 1 28 28 THR H H 28 7.248 7.248 7.407 -0.159 18868 1820 1 6 . 1 1 29 29 LEU N N 29 125.037 125.037 124.836 0.201 18868 1821 1 6 . 1 1 29 29 LEU C C 29 180.751 180.751 177.158 3.593 18868 1822 1 6 . 1 1 29 29 LEU CA C 29 55.200 55.200 53.504 1.696 18868 1823 1 6 . 1 1 29 29 LEU CB C 29 41.800 41.800 42.868 -1.068 18868 1824 1 6 . 1 1 29 29 LEU H H 29 9.421 9.421 8.749 0.672 18868 1825 1 6 . 1 1 30 30 SER N N 30 131.373 131.373 120.847 10.526 18868 1826 1 6 . 1 1 30 30 SER C C 30 177.946 177.946 176.011 1.935 18868 1827 1 6 . 1 1 30 30 SER CA C 30 57.900 57.900 58.239 -0.339 18868 1828 1 6 . 1 1 30 30 SER H H 30 9.312 9.312 9.494 -0.182 18868 1829 1 6 . 1 1 31 31 LYS N N 31 117.689 117.689 121.351 -3.662 18868 1830 1 6 . 1 1 31 31 LYS CA C 31 57.800 57.800 59.465 -1.665 18868 1831 1 6 . 1 1 31 31 LYS H H 31 9.659 9.659 8.915 0.744 18868 1832 1 6 . 1 1 32 32 LYS C C 32 180.677 180.677 178.850 1.827 18868 1833 1 6 . 1 1 32 32 LYS CA C 32 59.800 59.800 59.530 0.270 18868 1834 1 6 . 1 1 33 33 GLU N N 33 120.336 120.336 120.016 0.320 18868 1835 1 6 . 1 1 33 33 GLU C C 33 179.654 179.654 179.217 0.437 18868 1836 1 6 . 1 1 33 33 GLU CA C 33 59.300 59.300 59.227 0.073 18868 1837 1 6 . 1 1 33 33 GLU H H 33 7.608 7.608 7.934 -0.326 18868 1838 1 6 . 1 1 34 34 LEU N N 34 117.303 117.303 120.629 -3.326 18868 1839 1 6 . 1 1 34 34 LEU C C 34 179.420 179.420 177.925 1.495 18868 1840 1 6 . 1 1 34 34 LEU CA C 34 58.200 58.200 57.690 0.510 18868 1841 1 6 . 1 1 34 34 LEU H H 34 7.659 7.659 8.457 -0.798 18868 1842 1 6 . 1 1 35 35 LYS N N 35 116.520 116.520 119.532 -3.012 18868 1843 1 6 . 1 1 35 35 LYS CA C 35 60.700 60.700 60.048 0.652 18868 1844 1 6 . 1 1 35 35 LYS CB C 35 32.000 32.000 32.127 -0.127 18868 1845 1 6 . 1 1 35 35 LYS H H 35 7.731 7.731 7.897 -0.167 18868 1846 1 6 . 1 1 36 36 GLU N N 36 118.365 118.365 120.359 -1.994 18868 1847 1 6 . 1 1 36 36 GLU C C 36 177.868 177.868 178.579 -0.711 18868 1848 1 6 . 1 1 36 36 GLU CA C 36 59.700 59.700 59.208 0.492 18868 1849 1 6 . 1 1 36 36 GLU CB C 36 29.300 29.300 29.611 -0.311 18868 1850 1 6 . 1 1 36 36 GLU H H 36 7.871 7.871 7.778 0.093 18868 1851 1 6 . 1 1 37 37 LEU N N 37 121.068 121.068 120.391 0.677 18868 1852 1 6 . 1 1 37 37 LEU C C 37 176.731 176.731 178.516 -1.785 18868 1853 1 6 . 1 1 37 37 LEU CA C 37 59.500 59.500 57.590 1.909 18868 1854 1 6 . 1 1 37 37 LEU CB C 37 42.700 42.700 41.690 1.010 18868 1855 1 6 . 1 1 37 37 LEU H H 37 7.513 7.513 7.787 -0.274 18868 1856 1 6 . 1 1 38 38 ILE N N 38 117.867 117.867 118.410 -0.543 18868 1857 1 6 . 1 1 38 38 ILE C C 38 178.658 178.658 178.653 0.005 18868 1858 1 6 . 1 1 38 38 ILE CA C 38 65.300 65.300 65.281 0.019 18868 1859 1 6 . 1 1 38 38 ILE H H 38 8.206 8.206 7.967 0.239 18868 1860 1 6 . 1 1 39 39 GLN N N 39 114.147 114.147 117.845 -3.698 18868 1861 1 6 . 1 1 39 39 GLN C C 39 180.003 180.003 177.782 2.221 18868 1862 1 6 . 1 1 39 39 GLN CA C 39 59.500 59.500 58.697 0.804 18868 1863 1 6 . 1 1 39 39 GLN H H 39 8.238 8.238 8.238 0.000 18868 1864 1 6 . 1 1 40 40 LYS N N 40 115.051 115.051 117.001 -1.950 18868 1865 1 6 . 1 1 40 40 LYS C C 40 180.483 180.483 178.029 2.454 18868 1866 1 6 . 1 1 40 40 LYS CA C 40 57.500 57.500 57.621 -0.121 18868 1867 1 6 . 1 1 40 40 LYS H H 40 8.298 8.298 7.713 0.585 18868 1868 1 6 . 1 1 41 41 GLU N N 41 112.448 112.448 116.425 -3.977 18868 1869 1 6 . 1 1 41 41 GLU C C 41 178.252 178.252 176.468 1.784 18868 1870 1 6 . 1 1 41 41 GLU CA C 41 55.700 55.700 55.819 -0.119 18868 1871 1 6 . 1 1 41 41 GLU H H 41 8.328 8.328 8.147 0.181 18868 1872 1 6 . 1 1 42 42 LEU N N 42 118.693 118.693 122.596 -3.903 18868 1873 1 6 . 1 1 42 42 LEU C C 42 179.377 179.377 178.070 1.307 18868 1874 1 6 . 1 1 42 42 LEU CA C 42 53.300 53.300 54.235 -0.935 18868 1875 1 6 . 1 1 42 42 LEU H H 42 7.361 7.361 7.763 -0.402 18868 1876 1 6 . 1 1 43 43 THR N N 43 125.535 125.535 122.617 2.918 18868 1877 1 6 . 1 1 43 43 THR C C 43 180.403 180.403 175.360 5.043 18868 1878 1 6 . 1 1 43 43 THR CA C 43 67.300 67.300 66.215 1.085 18868 1879 1 6 . 1 1 43 43 THR H H 43 9.926 9.926 8.753 1.173 18868 1880 1 6 . 1 1 44 44 ILE N N 44 116.467 116.467 119.177 -2.710 18868 1881 1 6 . 1 1 44 44 ILE C C 44 178.107 178.107 177.301 0.806 18868 1882 1 6 . 1 1 44 44 ILE CA C 44 62.400 62.400 59.763 2.637 18868 1883 1 6 . 1 1 44 44 ILE CB C 44 38.300 38.300 37.822 0.478 18868 1884 1 6 . 1 1 44 44 ILE H H 44 8.214 8.214 7.847 0.367 18868 1885 1 6 . 1 1 45 45 GLY N N 45 108.241 108.241 110.120 -1.879 18868 1886 1 6 . 1 1 45 45 GLY C C 45 176.355 176.355 176.168 0.187 18868 1887 1 6 . 1 1 45 45 GLY CA C 45 47.400 47.400 47.762 -0.362 18868 1888 1 6 . 1 1 45 45 GLY H H 45 7.750 7.750 8.342 -0.592 18868 1889 1 6 . 1 1 46 46 SER N N 46 113.635 113.635 114.466 -0.831 18868 1890 1 6 . 1 1 46 46 SER C C 46 176.007 176.007 175.457 0.550 18868 1891 1 6 . 1 1 46 46 SER CA C 46 60.100 60.100 60.381 -0.281 18868 1892 1 6 . 1 1 46 46 SER H H 46 7.847 7.847 8.335 -0.488 18868 1893 1 6 . 1 1 47 47 LYS N N 47 119.437 119.437 119.573 -0.136 18868 1894 1 6 . 1 1 47 47 LYS C C 47 178.100 178.100 176.761 1.339 18868 1895 1 6 . 1 1 47 47 LYS CA C 47 56.000 56.000 56.041 -0.041 18868 1896 1 6 . 1 1 47 47 LYS CB C 47 33.400 33.400 33.342 0.059 18868 1897 1 6 . 1 1 47 47 LYS H H 47 7.709 7.709 7.579 0.130 18868 1898 1 6 . 1 1 48 48 LEU N N 48 120.169 120.169 121.677 -1.508 18868 1899 1 6 . 1 1 48 48 LEU C C 48 178.009 178.009 176.910 1.099 18868 1900 1 6 . 1 1 48 48 LEU CA C 48 55.000 55.000 54.916 0.084 18868 1901 1 6 . 1 1 48 48 LEU H H 48 7.139 7.139 7.431 -0.292 18868 1902 1 6 . 1 1 49 49 GLN N N 49 121.739 121.739 121.291 0.448 18868 1903 1 6 . 1 1 49 49 GLN C C 49 179.051 179.051 176.632 2.419 18868 1904 1 6 . 1 1 49 49 GLN CA C 49 55.800 55.800 56.026 -0.226 18868 1905 1 6 . 1 1 49 49 GLN H H 49 7.917 7.917 8.354 -0.437 18868 1906 1 6 . 1 1 50 50 ASP N N 50 119.121 119.121 123.280 -4.159 18868 1907 1 6 . 1 1 50 50 ASP C C 50 178.335 178.335 178.106 0.229 18868 1908 1 6 . 1 1 50 50 ASP CA C 50 59.300 59.300 57.704 1.596 18868 1909 1 6 . 1 1 50 50 ASP H H 50 7.597 7.597 8.879 -1.282 18868 1910 1 6 . 1 1 51 51 ALA N N 51 116.624 116.624 121.837 -5.213 18868 1911 1 6 . 1 1 51 51 ALA C C 51 181.587 181.587 179.841 1.746 18868 1912 1 6 . 1 1 51 51 ALA CA C 51 57.700 57.700 55.024 2.676 18868 1913 1 6 . 1 1 51 51 ALA H H 51 7.560 7.560 8.357 -0.797 18868 1914 1 6 . 1 1 52 52 GLU N N 52 118.931 118.931 118.744 0.187 18868 1915 1 6 . 1 1 52 52 GLU C C 52 180.495 180.495 179.046 1.449 18868 1916 1 6 . 1 1 52 52 GLU CA C 52 58.900 58.900 58.595 0.305 18868 1917 1 6 . 1 1 52 52 GLU H H 52 8.511 8.511 7.510 1.001 18868 1918 1 6 . 1 1 53 53 ILE N N 53 120.400 120.400 120.707 -0.307 18868 1919 1 6 . 1 1 53 53 ILE CA C 53 59.000 59.000 65.299 -6.299 18868 1920 1 6 . 1 1 53 53 ILE H H 53 7.905 7.905 8.108 -0.203 18868 1921 1 6 . 1 1 54 54 ALA C C 54 181.477 181.477 179.280 2.197 18868 1922 1 6 . 1 1 54 54 ALA CA C 54 55.600 55.600 55.314 0.286 18868 1923 1 6 . 1 1 55 55 ARG N N 55 118.315 118.315 119.126 -0.811 18868 1924 1 6 . 1 1 55 55 ARG C C 55 179.468 179.468 178.152 1.316 18868 1925 1 6 . 1 1 55 55 ARG CA C 55 59.100 59.100 59.174 -0.074 18868 1926 1 6 . 1 1 55 55 ARG H H 55 7.448 7.448 7.835 -0.387 18868 1927 1 6 . 1 1 56 56 LEU N N 56 120.310 120.310 121.697 -1.387 18868 1928 1 6 . 1 1 56 56 LEU C C 56 179.984 179.984 178.520 1.464 18868 1929 1 6 . 1 1 56 56 LEU CA C 56 58.000 58.000 58.068 -0.068 18868 1930 1 6 . 1 1 56 56 LEU H H 56 7.672 7.672 8.271 -0.599 18868 1931 1 6 . 1 1 57 57 MET N N 57 115.780 115.780 116.626 -0.846 18868 1932 1 6 . 1 1 57 57 MET C C 57 179.083 179.083 178.586 0.497 18868 1933 1 6 . 1 1 57 57 MET H H 57 8.354 8.354 8.334 0.020 18868 1934 1 6 . 1 1 58 58 GLU N N 58 117.826 117.826 120.628 -2.802 18868 1935 1 6 . 1 1 58 58 GLU C C 58 179.161 179.161 178.872 0.289 18868 1936 1 6 . 1 1 58 58 GLU CA C 58 59.300 59.300 59.485 -0.185 18868 1937 1 6 . 1 1 58 58 GLU CB C 58 31.100 31.100 29.260 1.840 18868 1938 1 6 . 1 1 58 58 GLU H H 58 7.620 7.620 8.089 -0.469 18868 1939 1 6 . 1 1 59 59 ASP N N 59 117.801 117.801 119.599 -1.798 18868 1940 1 6 . 1 1 59 59 ASP CA C 59 57.200 57.200 56.997 0.203 18868 1941 1 6 . 1 1 59 59 ASP H H 59 8.693 8.693 8.123 0.570 18868 1942 1 6 . 1 1 60 60 LEU N N 60 117.370 117.370 118.415 -1.045 18868 1943 1 6 . 1 1 60 60 LEU C C 60 179.216 179.216 177.397 1.819 18868 1944 1 6 . 1 1 60 60 LEU CA C 60 56.200 56.200 56.918 -0.718 18868 1945 1 6 . 1 1 60 60 LEU H H 60 8.159 8.159 7.760 0.399 18868 1946 1 6 . 1 1 61 61 ASP N N 61 117.835 117.835 117.008 0.827 18868 1947 1 6 . 1 1 61 61 ASP C C 61 178.473 178.473 176.477 1.996 18868 1948 1 6 . 1 1 61 61 ASP CA C 61 52.800 52.800 53.817 -1.017 18868 1949 1 6 . 1 1 61 61 ASP CB C 61 39.100 39.100 40.633 -1.533 18868 1950 1 6 . 1 1 61 61 ASP H H 61 7.559 7.559 7.608 -0.049 18868 1951 1 6 . 1 1 62 62 ARG N N 62 125.783 125.783 127.071 -1.288 18868 1952 1 6 . 1 1 62 62 ARG C C 62 178.519 178.519 177.817 0.702 18868 1953 1 6 . 1 1 62 62 ARG CA C 62 58.500 58.500 57.247 1.253 18868 1954 1 6 . 1 1 62 62 ARG CB C 62 30.200 30.200 30.373 -0.173 18868 1955 1 6 . 1 1 62 62 ARG H H 62 7.839 7.839 8.585 -0.746 18868 1956 1 6 . 1 1 63 63 ASN N N 63 112.348 112.348 116.946 -4.598 18868 1957 1 6 . 1 1 63 63 ASN C C 63 175.597 175.597 174.914 0.683 18868 1958 1 6 . 1 1 63 63 ASN CA C 63 51.900 51.900 53.238 -1.338 18868 1959 1 6 . 1 1 63 63 ASN CB C 63 36.700 36.700 38.562 -1.862 18868 1960 1 6 . 1 1 63 63 ASN H H 63 7.899 7.899 8.136 -0.237 18868 1961 1 6 . 1 1 64 64 LYS N N 64 114.407 114.407 118.069 -3.662 18868 1962 1 6 . 1 1 64 64 LYS C C 64 176.731 176.731 175.396 1.335 18868 1963 1 6 . 1 1 64 64 LYS CA C 64 59.500 59.500 57.151 2.349 18868 1964 1 6 . 1 1 64 64 LYS H H 64 7.485 7.485 8.417 -0.932 18868 1965 1 6 . 1 1 65 65 ASP N N 65 117.880 117.880 120.407 -2.527 18868 1966 1 6 . 1 1 65 65 ASP C C 65 177.981 177.981 176.303 1.678 18868 1967 1 6 . 1 1 65 65 ASP CA C 65 52.900 52.900 54.137 -1.237 18868 1968 1 6 . 1 1 65 65 ASP H H 65 8.184 8.184 8.317 -0.133 18868 1969 1 6 . 1 1 66 66 GLN N N 66 114.037 114.037 113.760 0.277 18868 1970 1 6 . 1 1 66 66 GLN C C 66 175.374 175.374 174.234 1.140 18868 1971 1 6 . 1 1 66 66 GLN CA C 66 57.900 57.900 58.043 -0.143 18868 1972 1 6 . 1 1 66 66 GLN CB C 66 26.200 26.200 26.801 -0.601 18868 1973 1 6 . 1 1 66 66 GLN H H 66 9.917 9.917 8.159 1.758 18868 1974 1 6 . 1 1 67 67 GLU N N 67 117.611 117.611 117.136 0.475 18868 1975 1 6 . 1 1 67 67 GLU C C 67 176.826 176.826 176.038 0.788 18868 1976 1 6 . 1 1 67 67 GLU CA C 67 54.000 54.000 54.348 -0.348 18868 1977 1 6 . 1 1 67 67 GLU CB C 67 33.100 33.100 32.593 0.507 18868 1978 1 6 . 1 1 67 67 GLU H H 67 7.800 7.800 7.817 -0.017 18868 1979 1 6 . 1 1 68 68 VAL N N 68 126.064 126.064 126.334 -0.270 18868 1980 1 6 . 1 1 68 68 VAL C C 68 177.398 177.398 175.647 1.751 18868 1981 1 6 . 1 1 68 68 VAL CA C 68 61.100 61.100 61.436 -0.336 18868 1982 1 6 . 1 1 68 68 VAL CB C 68 33.300 33.300 32.029 1.271 18868 1983 1 6 . 1 1 68 68 VAL H H 68 9.656 9.656 8.786 0.870 18868 1984 1 6 . 1 1 69 69 ASN N N 69 127.002 127.002 126.603 0.399 18868 1985 1 6 . 1 1 69 69 ASN C C 69 175.438 175.438 176.130 -0.692 18868 1986 1 6 . 1 1 69 69 ASN CA C 69 51.200 51.200 52.774 -1.574 18868 1987 1 6 . 1 1 69 69 ASN H H 69 9.036 9.036 8.292 0.744 18868 1988 1 6 . 1 1 70 70 PHE N N 70 119.437 119.437 119.426 0.011 18868 1989 1 6 . 1 1 70 70 PHE C C 70 177.652 177.652 177.302 0.350 18868 1990 1 6 . 1 1 70 70 PHE CA C 70 63.300 63.300 61.939 1.361 18868 1991 1 6 . 1 1 70 70 PHE H H 70 9.055 9.055 9.013 0.042 18868 1992 1 6 . 1 1 71 71 GLN N N 71 117.576 117.576 117.394 0.182 18868 1993 1 6 . 1 1 71 71 GLN C C 71 180.488 180.488 178.526 1.962 18868 1994 1 6 . 1 1 71 71 GLN CA C 71 60.100 60.100 59.118 0.982 18868 1995 1 6 . 1 1 71 71 GLN CB C 71 27.900 27.900 28.357 -0.457 18868 1996 1 6 . 1 1 71 71 GLN H H 71 8.273 8.273 8.320 -0.047 18868 1997 1 6 . 1 1 72 72 GLU N N 72 119.971 119.971 120.257 -0.286 18868 1998 1 6 . 1 1 72 72 GLU C C 72 179.001 179.001 178.792 0.209 18868 1999 1 6 . 1 1 72 72 GLU CA C 72 58.700 58.700 58.784 -0.084 18868 2000 1 6 . 1 1 72 72 GLU H H 72 8.631 8.631 7.900 0.731 18868 2001 1 6 . 1 1 73 73 TYR N N 73 120.475 120.475 121.462 -0.987 18868 2002 1 6 . 1 1 73 73 TYR C C 73 180.040 180.040 177.343 2.697 18868 2003 1 6 . 1 1 73 73 TYR H H 73 7.721 7.721 7.925 -0.204 18868 2004 1 6 . 1 1 74 74 VAL N N 74 119.604 119.604 118.685 0.919 18868 2005 1 6 . 1 1 74 74 VAL C C 74 177.821 177.821 177.751 0.070 18868 2006 1 6 . 1 1 74 74 VAL CA C 74 60.200 60.200 66.959 -6.759 18868 2007 1 6 . 1 1 74 74 VAL CB C 74 33.800 33.800 31.201 2.599 18868 2008 1 6 . 1 1 74 74 VAL H H 74 8.147 8.147 7.819 0.328 18868 2009 1 6 . 1 1 75 75 THR N N 75 124.638 124.638 117.371 7.267 18868 2010 1 6 . 1 1 75 75 THR C C 75 179.971 179.971 176.497 3.474 18868 2011 1 6 . 1 1 75 75 THR CA C 75 60.600 60.600 66.257 -5.657 18868 2012 1 6 . 1 1 75 75 THR H H 75 7.714 7.714 7.463 0.251 18868 2013 1 6 . 1 1 76 76 PHE N N 76 116.963 116.963 122.620 -5.657 18868 2014 1 6 . 1 1 76 76 PHE C C 76 177.695 177.695 176.686 1.009 18868 2015 1 6 . 1 1 76 76 PHE CA C 76 60.000 60.000 60.710 -0.710 18868 2016 1 6 . 1 1 76 76 PHE H H 76 7.864 7.864 7.448 0.416 18868 2017 1 6 . 1 1 77 77 LEU N N 77 117.568 117.568 118.721 -1.153 18868 2018 1 6 . 1 1 77 77 LEU C C 77 180.668 180.668 178.764 1.904 18868 2019 1 6 . 1 1 77 77 LEU CA C 77 57.800 57.800 57.235 0.565 18868 2020 1 6 . 1 1 77 77 LEU H H 77 7.913 7.913 7.577 0.336 18868 2021 1 6 . 1 1 78 78 GLY N N 78 104.257 104.257 106.218 -1.961 18868 2022 1 6 . 1 1 78 78 GLY C C 78 176.062 176.062 175.291 0.771 18868 2023 1 6 . 1 1 78 78 GLY CA C 78 47.600 47.600 47.007 0.593 18868 2024 1 6 . 1 1 78 78 GLY H H 78 8.057 8.057 8.593 -0.536 18868 2025 1 6 . 1 1 79 79 ALA N N 79 124.122 124.122 124.953 -0.831 18868 2026 1 6 . 1 1 79 79 ALA C C 79 182.313 182.313 179.196 3.117 18868 2027 1 6 . 1 1 79 79 ALA CA C 79 55.100 55.100 54.850 0.250 18868 2028 1 6 . 1 1 79 79 ALA H H 79 7.804 7.804 7.738 0.066 18868 2029 1 6 . 1 1 80 80 LEU N N 80 117.976 117.976 118.967 -0.991 18868 2030 1 6 . 1 1 80 80 LEU C C 80 178.389 178.389 179.014 -0.625 18868 2031 1 6 . 1 1 80 80 LEU CA C 80 57.400 57.400 57.625 -0.225 18868 2032 1 6 . 1 1 80 80 LEU H H 80 8.045 8.045 7.915 0.130 18868 2033 1 6 . 1 1 81 81 ALA N N 81 121.199 121.199 122.210 -1.011 18868 2034 1 6 . 1 1 81 81 ALA C C 81 181.617 181.617 179.696 1.921 18868 2035 1 6 . 1 1 81 81 ALA CA C 81 55.300 55.300 55.193 0.107 18868 2036 1 6 . 1 1 81 81 ALA H H 81 8.152 8.152 8.018 0.134 18868 2037 1 6 . 1 1 82 82 LEU N N 82 117.392 117.392 119.275 -1.883 18868 2038 1 6 . 1 1 82 82 LEU C C 82 180.828 180.828 179.079 1.749 18868 2039 1 6 . 1 1 82 82 LEU CA C 82 58.800 58.800 57.836 0.964 18868 2040 1 6 . 1 1 82 82 LEU H H 82 7.238 7.238 7.958 -0.720 18868 2041 1 6 . 1 1 83 83 ILE N N 83 124.342 124.342 120.135 4.207 18868 2042 1 6 . 1 1 83 83 ILE C C 83 177.495 177.495 178.277 -0.782 18868 2043 1 6 . 1 1 83 83 ILE CA C 83 60.500 60.500 65.890 -5.390 18868 2044 1 6 . 1 1 83 83 ILE H H 83 8.726 8.726 7.792 0.934 18868 2045 1 6 . 1 1 84 84 TYR N N 84 120.026 120.026 118.263 1.763 18868 2046 1 6 . 1 1 84 84 TYR C C 84 177.236 177.236 178.089 -0.853 18868 2047 1 6 . 1 1 84 84 TYR CA C 84 56.900 56.900 62.341 -5.441 18868 2048 1 6 . 1 1 84 84 TYR H H 84 8.241 8.241 8.012 0.229 18868 2049 1 6 . 1 1 85 85 ASN N N 85 117.125 117.125 117.343 -0.218 18868 2050 1 6 . 1 1 85 85 ASN C C 85 175.508 175.508 177.628 -2.120 18868 2051 1 6 . 1 1 85 85 ASN CA C 85 56.600 56.600 56.292 0.308 18868 2052 1 6 . 1 1 85 85 ASN H H 85 7.681 7.681 8.284 -0.603 18868 2053 1 6 . 1 1 86 86 GLU N N 86 119.756 119.756 120.423 -0.667 18868 2054 1 6 . 1 1 86 86 GLU C C 86 177.821 177.821 178.742 -0.921 18868 2055 1 6 . 1 1 86 86 GLU H H 86 8.790 8.790 8.351 0.439 18868 2056 1 6 . 1 1 87 87 ALA N N 87 112.780 112.780 122.444 -9.664 18868 2057 1 6 . 1 1 87 87 ALA H H 87 8.241 8.241 7.679 0.562 18868 2058 1 6 . 1 1 88 88 LEU N N 88 118.627 118.627 117.085 1.542 18868 2059 1 6 . 1 1 88 88 LEU CA C 88 57.900 57.900 56.851 1.049 18868 2060 1 6 . 1 1 88 88 LEU H H 88 8.384 8.384 7.599 0.785 18868 2061 1 6 . 1 1 89 89 LYS N N 89 118.552 118.552 117.441 1.111 18868 2062 1 6 . 1 1 89 89 LYS C C 89 177.332 177.332 177.454 -0.122 18868 2063 1 6 . 1 1 89 89 LYS CA C 89 56.900 56.900 57.501 -0.601 18868 2064 1 6 . 1 1 89 89 LYS H H 89 7.854 7.854 7.540 0.314 18868 2065 1 7 . 1 1 3 3 SER N N 3 118.627 118.627 116.905 1.722 18868 2066 1 7 . 1 1 3 3 SER H H 3 8.384 8.384 8.584 -0.200 18868 2067 1 7 . 1 1 4 4 PRO C C 4 180.814 180.814 178.834 1.980 18868 2068 1 7 . 1 1 4 4 PRO CA C 4 66.500 66.500 66.005 0.494 18868 2069 1 7 . 1 1 5 5 LEU N N 5 119.501 119.501 117.797 1.704 18868 2070 1 7 . 1 1 5 5 LEU C C 5 179.272 179.272 178.420 0.852 18868 2071 1 7 . 1 1 5 5 LEU CA C 5 58.600 58.600 58.291 0.309 18868 2072 1 7 . 1 1 5 5 LEU H H 5 9.386 9.386 8.049 1.337 18868 2073 1 7 . 1 1 6 6 ASP N N 6 119.191 119.191 118.882 0.309 18868 2074 1 7 . 1 1 6 6 ASP C C 6 182.313 182.313 178.915 3.398 18868 2075 1 7 . 1 1 6 6 ASP CA C 6 58.000 58.000 57.947 0.053 18868 2076 1 7 . 1 1 6 6 ASP H H 6 7.912 7.912 8.044 -0.132 18868 2077 1 7 . 1 1 7 7 GLN N N 7 117.979 117.979 118.826 -0.847 18868 2078 1 7 . 1 1 7 7 GLN C C 7 179.998 179.998 178.435 1.563 18868 2079 1 7 . 1 1 7 7 GLN CA C 7 58.900 58.900 58.482 0.418 18868 2080 1 7 . 1 1 7 7 GLN H H 7 8.065 8.065 8.313 -0.248 18868 2081 1 7 . 1 1 8 8 ALA N N 8 124.008 124.008 123.520 0.488 18868 2082 1 7 . 1 1 8 8 ALA CA C 8 55.500 55.500 55.268 0.232 18868 2083 1 7 . 1 1 8 8 ALA H H 8 8.159 8.159 8.027 0.132 18868 2084 1 7 . 1 1 9 9 ILE C C 9 179.258 179.258 178.433 0.825 18868 2085 1 7 . 1 1 9 9 ILE CA C 9 64.900 64.900 63.117 1.783 18868 2086 1 7 . 1 1 10 10 GLY N N 10 105.447 105.447 108.360 -2.913 18868 2087 1 7 . 1 1 10 10 GLY C C 10 177.984 177.984 176.145 1.839 18868 2088 1 7 . 1 1 10 10 GLY CA C 10 47.300 47.300 47.150 0.150 18868 2089 1 7 . 1 1 10 10 GLY H H 10 8.062 8.062 8.348 -0.286 18868 2090 1 7 . 1 1 11 11 LEU N N 11 124.755 124.755 123.021 1.734 18868 2091 1 7 . 1 1 11 11 LEU C C 11 178.346 178.346 178.539 -0.193 18868 2092 1 7 . 1 1 11 11 LEU CA C 11 58.000 58.000 57.704 0.296 18868 2093 1 7 . 1 1 11 11 LEU H H 11 8.067 8.067 8.079 -0.012 18868 2094 1 7 . 1 1 12 12 LEU N N 12 121.609 121.609 119.086 2.523 18868 2095 1 7 . 1 1 12 12 LEU C C 12 182.560 182.560 179.759 2.801 18868 2096 1 7 . 1 1 12 12 LEU CA C 12 59.000 59.000 58.005 0.995 18868 2097 1 7 . 1 1 12 12 LEU H H 12 7.997 7.997 7.977 0.020 18868 2098 1 7 . 1 1 13 13 VAL N N 13 119.951 119.951 119.386 0.565 18868 2099 1 7 . 1 1 13 13 VAL C C 13 178.016 178.016 178.161 -0.145 18868 2100 1 7 . 1 1 13 13 VAL CA C 13 67.100 67.100 65.398 1.702 18868 2101 1 7 . 1 1 13 13 VAL H H 13 8.087 8.087 8.348 -0.261 18868 2102 1 7 . 1 1 14 14 ALA N N 14 122.867 122.867 123.267 -0.400 18868 2103 1 7 . 1 1 14 14 ALA C C 14 175.380 175.380 180.083 -4.703 18868 2104 1 7 . 1 1 14 14 ALA CA C 14 55.600 55.600 55.421 0.179 18868 2105 1 7 . 1 1 14 14 ALA H H 14 8.363 8.363 8.059 0.304 18868 2106 1 7 . 1 1 15 15 ILE N N 15 118.496 118.496 119.087 -0.591 18868 2107 1 7 . 1 1 15 15 ILE C C 15 178.058 178.058 177.646 0.412 18868 2108 1 7 . 1 1 15 15 ILE CA C 15 64.800 64.800 65.320 -0.520 18868 2109 1 7 . 1 1 15 15 ILE H H 15 8.787 8.787 7.996 0.791 18868 2110 1 7 . 1 1 16 16 PHE N N 16 119.259 119.259 120.266 -1.007 18868 2111 1 7 . 1 1 16 16 PHE H H 16 7.171 7.171 7.620 -0.449 18868 2112 1 7 . 1 1 17 17 HIS C C 17 178.660 178.660 178.049 0.611 18868 2113 1 7 . 1 1 17 17 HIS CA C 17 54.800 54.800 59.018 -4.218 18868 2114 1 7 . 1 1 17 17 HIS CB C 17 30.000 30.000 29.619 0.381 18868 2115 1 7 . 1 1 18 18 LYS N N 18 122.924 122.924 120.434 2.490 18868 2116 1 7 . 1 1 18 18 LYS C C 18 180.221 180.221 178.337 1.884 18868 2117 1 7 . 1 1 18 18 LYS CA C 18 58.800 58.800 59.380 -0.580 18868 2118 1 7 . 1 1 18 18 LYS CB C 18 40.200 40.200 32.422 7.777 18868 2119 1 7 . 1 1 18 18 LYS H H 18 8.880 8.880 8.001 0.879 18868 2120 1 7 . 1 1 19 19 TYR N N 19 120.227 120.227 115.629 4.598 18868 2121 1 7 . 1 1 19 19 TYR C C 19 178.435 178.435 177.760 0.675 18868 2122 1 7 . 1 1 19 19 TYR CA C 19 55.300 55.300 59.868 -4.568 18868 2123 1 7 . 1 1 19 19 TYR H H 19 8.879 8.879 7.723 1.156 18868 2124 1 7 . 1 1 20 20 SER N N 20 119.760 119.760 116.768 2.992 18868 2125 1 7 . 1 1 20 20 SER C C 20 178.376 178.376 176.534 1.842 18868 2126 1 7 . 1 1 20 20 SER CA C 20 56.900 56.900 60.653 -3.753 18868 2127 1 7 . 1 1 20 20 SER CB C 20 61.700 61.700 62.351 -0.651 18868 2128 1 7 . 1 1 20 20 SER H H 20 7.557 7.557 8.059 -0.502 18868 2129 1 7 . 1 1 21 21 GLY N N 21 111.202 111.202 108.040 3.162 18868 2130 1 7 . 1 1 21 21 GLY C C 21 174.862 174.862 175.077 -0.215 18868 2131 1 7 . 1 1 21 21 GLY CA C 21 45.600 45.600 44.813 0.786 18868 2132 1 7 . 1 1 21 21 GLY H H 21 7.696 7.696 7.523 0.173 18868 2133 1 7 . 1 1 22 22 ARG N N 22 122.200 122.200 119.451 2.749 18868 2134 1 7 . 1 1 22 22 ARG C C 22 178.336 178.336 176.873 1.463 18868 2135 1 7 . 1 1 22 22 ARG CA C 22 59.500 59.500 57.731 1.768 18868 2136 1 7 . 1 1 22 22 ARG CB C 22 30.500 30.500 30.838 -0.338 18868 2137 1 7 . 1 1 22 22 ARG H H 22 7.311 7.311 7.639 -0.328 18868 2138 1 7 . 1 1 23 23 GLU N N 23 115.984 115.984 115.910 0.074 18868 2139 1 7 . 1 1 23 23 GLU C C 23 177.129 177.129 176.077 1.052 18868 2140 1 7 . 1 1 23 23 GLU CA C 23 54.300 54.300 55.322 -1.022 18868 2141 1 7 . 1 1 23 23 GLU CB C 23 33.200 33.200 32.211 0.989 18868 2142 1 7 . 1 1 23 23 GLU H H 23 9.488 9.488 8.244 1.244 18868 2143 1 7 . 1 1 24 24 GLY N N 24 114.031 114.031 110.971 3.060 18868 2144 1 7 . 1 1 24 24 GLY C C 24 174.499 174.499 174.017 0.482 18868 2145 1 7 . 1 1 24 24 GLY CA C 24 45.900 45.900 45.336 0.564 18868 2146 1 7 . 1 1 24 24 GLY H H 24 9.048 9.048 8.465 0.583 18868 2147 1 7 . 1 1 25 25 ASP N N 25 125.634 125.634 121.197 4.437 18868 2148 1 7 . 1 1 25 25 ASP C C 25 177.998 177.998 177.617 0.381 18868 2149 1 7 . 1 1 25 25 ASP CA C 25 55.000 55.000 53.737 1.263 18868 2150 1 7 . 1 1 25 25 ASP H H 25 8.249 8.249 8.441 -0.192 18868 2151 1 7 . 1 1 26 26 LYS N N 26 121.469 121.469 125.432 -3.963 18868 2152 1 7 . 1 1 26 26 LYS CA C 26 57.600 57.600 58.010 -0.410 18868 2153 1 7 . 1 1 26 26 LYS CB C 26 37.800 37.800 32.460 5.340 18868 2154 1 7 . 1 1 26 26 LYS H H 26 9.043 9.043 8.522 0.521 18868 2155 1 7 . 1 1 27 27 HIS N N 27 112.780 112.780 113.038 -0.258 18868 2156 1 7 . 1 1 27 27 HIS C C 27 175.067 175.067 174.238 0.829 18868 2157 1 7 . 1 1 27 27 HIS CA C 27 55.300 55.300 54.998 0.302 18868 2158 1 7 . 1 1 27 27 HIS CB C 27 30.300 30.300 30.842 -0.542 18868 2159 1 7 . 1 1 27 27 HIS H H 27 8.241 8.241 7.910 0.331 18868 2160 1 7 . 1 1 28 28 THR N N 28 106.447 106.447 110.469 -4.022 18868 2161 1 7 . 1 1 28 28 THR C C 28 174.469 174.469 173.333 1.136 18868 2162 1 7 . 1 1 28 28 THR CA C 28 60.000 60.000 60.206 -0.206 18868 2163 1 7 . 1 1 28 28 THR H H 28 7.248 7.248 7.393 -0.145 18868 2164 1 7 . 1 1 29 29 LEU N N 29 125.037 125.037 124.836 0.201 18868 2165 1 7 . 1 1 29 29 LEU C C 29 180.751 180.751 177.034 3.717 18868 2166 1 7 . 1 1 29 29 LEU CA C 29 55.200 55.200 53.513 1.687 18868 2167 1 7 . 1 1 29 29 LEU CB C 29 41.800 41.800 42.936 -1.136 18868 2168 1 7 . 1 1 29 29 LEU H H 29 9.421 9.421 8.943 0.478 18868 2169 1 7 . 1 1 30 30 SER N N 30 131.373 131.373 120.749 10.624 18868 2170 1 7 . 1 1 30 30 SER C C 30 177.946 177.946 175.985 1.961 18868 2171 1 7 . 1 1 30 30 SER CA C 30 57.900 57.900 58.274 -0.374 18868 2172 1 7 . 1 1 30 30 SER H H 30 9.312 9.312 9.477 -0.165 18868 2173 1 7 . 1 1 31 31 LYS N N 31 117.689 117.689 121.351 -3.662 18868 2174 1 7 . 1 1 31 31 LYS CA C 31 57.800 57.800 59.552 -1.752 18868 2175 1 7 . 1 1 31 31 LYS H H 31 9.659 9.659 8.906 0.753 18868 2176 1 7 . 1 1 32 32 LYS C C 32 180.677 180.677 178.852 1.825 18868 2177 1 7 . 1 1 32 32 LYS CA C 32 59.800 59.800 59.542 0.258 18868 2178 1 7 . 1 1 33 33 GLU N N 33 120.336 120.336 120.012 0.324 18868 2179 1 7 . 1 1 33 33 GLU C C 33 179.654 179.654 179.208 0.446 18868 2180 1 7 . 1 1 33 33 GLU CA C 33 59.300 59.300 59.211 0.089 18868 2181 1 7 . 1 1 33 33 GLU H H 33 7.608 7.608 7.928 -0.320 18868 2182 1 7 . 1 1 34 34 LEU N N 34 117.303 117.303 120.630 -3.327 18868 2183 1 7 . 1 1 34 34 LEU C C 34 179.420 179.420 177.934 1.486 18868 2184 1 7 . 1 1 34 34 LEU CA C 34 58.200 58.200 57.697 0.503 18868 2185 1 7 . 1 1 34 34 LEU H H 34 7.659 7.659 8.456 -0.797 18868 2186 1 7 . 1 1 35 35 LYS N N 35 116.520 116.520 119.529 -3.009 18868 2187 1 7 . 1 1 35 35 LYS CA C 35 60.700 60.700 60.048 0.652 18868 2188 1 7 . 1 1 35 35 LYS CB C 35 32.000 32.000 32.128 -0.128 18868 2189 1 7 . 1 1 35 35 LYS H H 35 7.731 7.731 7.896 -0.165 18868 2190 1 7 . 1 1 36 36 GLU N N 36 118.365 118.365 120.354 -1.989 18868 2191 1 7 . 1 1 36 36 GLU C C 36 177.868 177.868 178.579 -0.711 18868 2192 1 7 . 1 1 36 36 GLU CA C 36 59.700 59.700 59.191 0.508 18868 2193 1 7 . 1 1 36 36 GLU CB C 36 29.300 29.300 29.575 -0.275 18868 2194 1 7 . 1 1 36 36 GLU H H 36 7.871 7.871 7.771 0.100 18868 2195 1 7 . 1 1 37 37 LEU N N 37 121.068 121.068 120.441 0.627 18868 2196 1 7 . 1 1 37 37 LEU C C 37 176.731 176.731 178.545 -1.814 18868 2197 1 7 . 1 1 37 37 LEU CA C 37 59.500 59.500 57.716 1.784 18868 2198 1 7 . 1 1 37 37 LEU CB C 37 42.700 42.700 41.800 0.900 18868 2199 1 7 . 1 1 37 37 LEU H H 37 7.513 7.513 7.821 -0.308 18868 2200 1 7 . 1 1 38 38 ILE N N 38 117.867 117.867 118.420 -0.553 18868 2201 1 7 . 1 1 38 38 ILE C C 38 178.658 178.658 178.653 0.005 18868 2202 1 7 . 1 1 38 38 ILE CA C 38 65.300 65.300 65.281 0.019 18868 2203 1 7 . 1 1 38 38 ILE H H 38 8.206 8.206 7.981 0.225 18868 2204 1 7 . 1 1 39 39 GLN N N 39 114.147 114.147 117.847 -3.700 18868 2205 1 7 . 1 1 39 39 GLN C C 39 180.003 180.003 177.779 2.224 18868 2206 1 7 . 1 1 39 39 GLN CA C 39 59.500 59.500 58.693 0.807 18868 2207 1 7 . 1 1 39 39 GLN H H 39 8.238 8.238 8.238 -0.000 18868 2208 1 7 . 1 1 40 40 LYS N N 40 115.051 115.051 116.990 -1.939 18868 2209 1 7 . 1 1 40 40 LYS C C 40 180.483 180.483 178.015 2.468 18868 2210 1 7 . 1 1 40 40 LYS CA C 40 57.500 57.500 57.600 -0.100 18868 2211 1 7 . 1 1 40 40 LYS H H 40 8.298 8.298 7.700 0.598 18868 2212 1 7 . 1 1 41 41 GLU N N 41 112.448 112.448 116.372 -3.924 18868 2213 1 7 . 1 1 41 41 GLU C C 41 178.252 178.252 176.443 1.809 18868 2214 1 7 . 1 1 41 41 GLU CA C 41 55.700 55.700 55.795 -0.095 18868 2215 1 7 . 1 1 41 41 GLU H H 41 8.328 8.328 8.137 0.191 18868 2216 1 7 . 1 1 42 42 LEU N N 42 118.693 118.693 122.601 -3.908 18868 2217 1 7 . 1 1 42 42 LEU C C 42 179.377 179.377 178.067 1.310 18868 2218 1 7 . 1 1 42 42 LEU CA C 42 53.300 53.300 54.237 -0.937 18868 2219 1 7 . 1 1 42 42 LEU H H 42 7.361 7.361 7.758 -0.397 18868 2220 1 7 . 1 1 43 43 THR N N 43 125.535 125.535 122.618 2.917 18868 2221 1 7 . 1 1 43 43 THR C C 43 180.403 180.403 175.356 5.047 18868 2222 1 7 . 1 1 43 43 THR CA C 43 67.300 67.300 66.212 1.088 18868 2223 1 7 . 1 1 43 43 THR H H 43 9.926 9.926 8.756 1.170 18868 2224 1 7 . 1 1 44 44 ILE N N 44 116.467 116.467 119.171 -2.704 18868 2225 1 7 . 1 1 44 44 ILE C C 44 178.107 178.107 177.294 0.813 18868 2226 1 7 . 1 1 44 44 ILE CA C 44 62.400 62.400 59.755 2.646 18868 2227 1 7 . 1 1 44 44 ILE CB C 44 38.300 38.300 37.817 0.483 18868 2228 1 7 . 1 1 44 44 ILE H H 44 8.214 8.214 7.842 0.372 18868 2229 1 7 . 1 1 45 45 GLY N N 45 108.241 108.241 110.125 -1.884 18868 2230 1 7 . 1 1 45 45 GLY C C 45 176.355 176.355 176.163 0.192 18868 2231 1 7 . 1 1 45 45 GLY CA C 45 47.400 47.400 47.761 -0.361 18868 2232 1 7 . 1 1 45 45 GLY H H 45 7.750 7.750 8.338 -0.588 18868 2233 1 7 . 1 1 46 46 SER N N 46 113.635 113.635 114.469 -0.834 18868 2234 1 7 . 1 1 46 46 SER C C 46 176.007 176.007 175.456 0.551 18868 2235 1 7 . 1 1 46 46 SER CA C 46 60.100 60.100 60.372 -0.272 18868 2236 1 7 . 1 1 46 46 SER H H 46 7.847 7.847 8.333 -0.486 18868 2237 1 7 . 1 1 47 47 LYS N N 47 119.437 119.437 119.572 -0.135 18868 2238 1 7 . 1 1 47 47 LYS C C 47 178.100 178.100 176.761 1.339 18868 2239 1 7 . 1 1 47 47 LYS CA C 47 56.000 56.000 56.039 -0.039 18868 2240 1 7 . 1 1 47 47 LYS CB C 47 33.400 33.400 33.335 0.065 18868 2241 1 7 . 1 1 47 47 LYS H H 47 7.709 7.709 7.576 0.133 18868 2242 1 7 . 1 1 48 48 LEU N N 48 120.169 120.169 121.675 -1.506 18868 2243 1 7 . 1 1 48 48 LEU C C 48 178.009 178.009 176.910 1.099 18868 2244 1 7 . 1 1 48 48 LEU CA C 48 55.000 55.000 54.916 0.084 18868 2245 1 7 . 1 1 48 48 LEU H H 48 7.139 7.139 7.429 -0.290 18868 2246 1 7 . 1 1 49 49 GLN N N 49 121.739 121.739 121.286 0.453 18868 2247 1 7 . 1 1 49 49 GLN C C 49 179.051 179.051 176.632 2.419 18868 2248 1 7 . 1 1 49 49 GLN CA C 49 55.800 55.800 56.024 -0.224 18868 2249 1 7 . 1 1 49 49 GLN H H 49 7.917 7.917 8.353 -0.436 18868 2250 1 7 . 1 1 50 50 ASP N N 50 119.121 119.121 123.274 -4.153 18868 2251 1 7 . 1 1 50 50 ASP C C 50 178.335 178.335 178.106 0.229 18868 2252 1 7 . 1 1 50 50 ASP CA C 50 59.300 59.300 57.704 1.596 18868 2253 1 7 . 1 1 50 50 ASP H H 50 7.597 7.597 8.879 -1.282 18868 2254 1 7 . 1 1 51 51 ALA N N 51 116.624 116.624 121.837 -5.213 18868 2255 1 7 . 1 1 51 51 ALA C C 51 181.587 181.587 179.842 1.745 18868 2256 1 7 . 1 1 51 51 ALA CA C 51 57.700 57.700 55.025 2.675 18868 2257 1 7 . 1 1 51 51 ALA H H 51 7.560 7.560 8.357 -0.797 18868 2258 1 7 . 1 1 52 52 GLU N N 52 118.931 118.931 118.746 0.185 18868 2259 1 7 . 1 1 52 52 GLU C C 52 180.495 180.495 179.048 1.447 18868 2260 1 7 . 1 1 52 52 GLU CA C 52 58.900 58.900 58.596 0.304 18868 2261 1 7 . 1 1 52 52 GLU H H 52 8.511 8.511 7.510 1.001 18868 2262 1 7 . 1 1 53 53 ILE N N 53 120.400 120.400 120.708 -0.308 18868 2263 1 7 . 1 1 53 53 ILE CA C 53 59.000 59.000 65.302 -6.303 18868 2264 1 7 . 1 1 53 53 ILE H H 53 7.905 7.905 8.108 -0.203 18868 2265 1 7 . 1 1 54 54 ALA C C 54 181.477 181.477 179.282 2.195 18868 2266 1 7 . 1 1 54 54 ALA CA C 54 55.600 55.600 55.317 0.283 18868 2267 1 7 . 1 1 55 55 ARG N N 55 118.315 118.315 119.126 -0.811 18868 2268 1 7 . 1 1 55 55 ARG C C 55 179.468 179.468 178.155 1.313 18868 2269 1 7 . 1 1 55 55 ARG CA C 55 59.100 59.100 59.175 -0.076 18868 2270 1 7 . 1 1 55 55 ARG H H 55 7.448 7.448 7.836 -0.388 18868 2271 1 7 . 1 1 56 56 LEU N N 56 120.310 120.310 121.697 -1.387 18868 2272 1 7 . 1 1 56 56 LEU C C 56 179.984 179.984 178.531 1.453 18868 2273 1 7 . 1 1 56 56 LEU CA C 56 58.000 58.000 58.073 -0.073 18868 2274 1 7 . 1 1 56 56 LEU H H 56 7.672 7.672 8.273 -0.601 18868 2275 1 7 . 1 1 57 57 MET N N 57 115.780 115.780 116.604 -0.824 18868 2276 1 7 . 1 1 57 57 MET C C 57 179.083 179.083 178.591 0.492 18868 2277 1 7 . 1 1 57 57 MET H H 57 8.354 8.354 8.333 0.021 18868 2278 1 7 . 1 1 58 58 GLU N N 58 117.826 117.826 120.764 -2.938 18868 2279 1 7 . 1 1 58 58 GLU C C 58 179.161 179.161 178.919 0.242 18868 2280 1 7 . 1 1 58 58 GLU CA C 58 59.300 59.300 59.457 -0.157 18868 2281 1 7 . 1 1 58 58 GLU CB C 58 31.100 31.100 29.251 1.849 18868 2282 1 7 . 1 1 58 58 GLU H H 58 7.620 7.620 8.134 -0.514 18868 2283 1 7 . 1 1 59 59 ASP N N 59 117.801 117.801 119.628 -1.827 18868 2284 1 7 . 1 1 59 59 ASP CA C 59 57.200 57.200 57.004 0.196 18868 2285 1 7 . 1 1 59 59 ASP H H 59 8.693 8.693 8.120 0.573 18868 2286 1 7 . 1 1 60 60 LEU N N 60 117.370 117.370 118.541 -1.171 18868 2287 1 7 . 1 1 60 60 LEU C C 60 179.216 179.216 177.239 1.977 18868 2288 1 7 . 1 1 60 60 LEU CA C 60 56.200 56.200 57.094 -0.894 18868 2289 1 7 . 1 1 60 60 LEU H H 60 8.159 8.159 7.747 0.412 18868 2290 1 7 . 1 1 61 61 ASP N N 61 117.835 117.835 117.132 0.703 18868 2291 1 7 . 1 1 61 61 ASP C C 61 178.473 178.473 176.638 1.835 18868 2292 1 7 . 1 1 61 61 ASP CA C 61 52.800 52.800 54.032 -1.232 18868 2293 1 7 . 1 1 61 61 ASP CB C 61 39.100 39.100 41.052 -1.952 18868 2294 1 7 . 1 1 61 61 ASP H H 61 7.559 7.559 7.463 0.096 18868 2295 1 7 . 1 1 62 62 ARG N N 62 125.783 125.783 127.659 -1.876 18868 2296 1 7 . 1 1 62 62 ARG C C 62 178.519 178.519 177.815 0.704 18868 2297 1 7 . 1 1 62 62 ARG CA C 62 58.500 58.500 57.273 1.227 18868 2298 1 7 . 1 1 62 62 ARG CB C 62 30.200 30.200 30.488 -0.288 18868 2299 1 7 . 1 1 62 62 ARG H H 62 7.839 7.839 9.374 -1.535 18868 2300 1 7 . 1 1 63 63 ASN N N 63 112.348 112.348 116.955 -4.607 18868 2301 1 7 . 1 1 63 63 ASN C C 63 175.597 175.597 174.891 0.706 18868 2302 1 7 . 1 1 63 63 ASN CA C 63 51.900 51.900 53.239 -1.339 18868 2303 1 7 . 1 1 63 63 ASN CB C 63 36.700 36.700 38.613 -1.913 18868 2304 1 7 . 1 1 63 63 ASN H H 63 7.899 7.899 7.853 0.046 18868 2305 1 7 . 1 1 64 64 LYS N N 64 114.407 114.407 118.151 -3.744 18868 2306 1 7 . 1 1 64 64 LYS C C 64 176.731 176.731 175.305 1.426 18868 2307 1 7 . 1 1 64 64 LYS CA C 64 59.500 59.500 57.340 2.159 18868 2308 1 7 . 1 1 64 64 LYS H H 64 7.485 7.485 8.443 -0.958 18868 2309 1 7 . 1 1 65 65 ASP N N 65 117.880 117.880 120.896 -3.016 18868 2310 1 7 . 1 1 65 65 ASP C C 65 177.981 177.981 176.156 1.825 18868 2311 1 7 . 1 1 65 65 ASP CA C 65 52.900 52.900 54.138 -1.238 18868 2312 1 7 . 1 1 65 65 ASP H H 65 8.184 8.184 8.814 -0.630 18868 2313 1 7 . 1 1 66 66 GLN N N 66 114.037 114.037 113.503 0.534 18868 2314 1 7 . 1 1 66 66 GLN C C 66 175.374 175.374 174.321 1.053 18868 2315 1 7 . 1 1 66 66 GLN CA C 66 57.900 57.900 57.877 0.023 18868 2316 1 7 . 1 1 66 66 GLN CB C 66 26.200 26.200 26.386 -0.186 18868 2317 1 7 . 1 1 66 66 GLN H H 66 9.917 9.917 8.146 1.771 18868 2318 1 7 . 1 1 67 67 GLU N N 67 117.611 117.611 117.724 -0.113 18868 2319 1 7 . 1 1 67 67 GLU C C 67 176.826 176.826 176.056 0.770 18868 2320 1 7 . 1 1 67 67 GLU CA C 67 54.000 54.000 54.423 -0.423 18868 2321 1 7 . 1 1 67 67 GLU CB C 67 33.100 33.100 31.862 1.238 18868 2322 1 7 . 1 1 67 67 GLU H H 67 7.800 7.800 7.774 0.026 18868 2323 1 7 . 1 1 68 68 VAL N N 68 126.064 126.064 127.643 -1.579 18868 2324 1 7 . 1 1 68 68 VAL C C 68 177.398 177.398 176.074 1.324 18868 2325 1 7 . 1 1 68 68 VAL CA C 68 61.100 61.100 62.245 -1.145 18868 2326 1 7 . 1 1 68 68 VAL CB C 68 33.300 33.300 31.497 1.803 18868 2327 1 7 . 1 1 68 68 VAL H H 68 9.656 9.656 8.938 0.718 18868 2328 1 7 . 1 1 69 69 ASN N N 69 127.002 127.002 126.946 0.056 18868 2329 1 7 . 1 1 69 69 ASN C C 69 175.438 175.438 176.086 -0.648 18868 2330 1 7 . 1 1 69 69 ASN CA C 69 51.200 51.200 52.615 -1.415 18868 2331 1 7 . 1 1 69 69 ASN H H 69 9.036 9.036 8.569 0.467 18868 2332 1 7 . 1 1 70 70 PHE N N 70 119.437 119.437 119.786 -0.349 18868 2333 1 7 . 1 1 70 70 PHE C C 70 177.652 177.652 177.370 0.282 18868 2334 1 7 . 1 1 70 70 PHE CA C 70 63.300 63.300 62.116 1.184 18868 2335 1 7 . 1 1 70 70 PHE H H 70 9.055 9.055 9.032 0.023 18868 2336 1 7 . 1 1 71 71 GLN N N 71 117.576 117.576 117.546 0.030 18868 2337 1 7 . 1 1 71 71 GLN C C 71 180.488 180.488 178.514 1.974 18868 2338 1 7 . 1 1 71 71 GLN CA C 71 60.100 60.100 59.409 0.691 18868 2339 1 7 . 1 1 71 71 GLN CB C 71 27.900 27.900 28.084 -0.184 18868 2340 1 7 . 1 1 71 71 GLN H H 71 8.273 8.273 8.499 -0.226 18868 2341 1 7 . 1 1 72 72 GLU N N 72 119.971 119.971 120.120 -0.149 18868 2342 1 7 . 1 1 72 72 GLU C C 72 179.001 179.001 178.648 0.353 18868 2343 1 7 . 1 1 72 72 GLU CA C 72 58.700 58.700 58.703 -0.003 18868 2344 1 7 . 1 1 72 72 GLU H H 72 8.631 8.631 7.836 0.795 18868 2345 1 7 . 1 1 73 73 TYR N N 73 120.475 120.475 121.645 -1.170 18868 2346 1 7 . 1 1 73 73 TYR C C 73 180.040 180.040 177.225 2.815 18868 2347 1 7 . 1 1 73 73 TYR H H 73 7.721 7.721 7.685 0.036 18868 2348 1 7 . 1 1 74 74 VAL N N 74 119.604 119.604 118.613 0.991 18868 2349 1 7 . 1 1 74 74 VAL C C 74 177.821 177.821 177.884 -0.063 18868 2350 1 7 . 1 1 74 74 VAL CA C 74 60.200 60.200 66.946 -6.746 18868 2351 1 7 . 1 1 74 74 VAL CB C 74 33.800 33.800 31.206 2.594 18868 2352 1 7 . 1 1 74 74 VAL H H 74 8.147 8.147 7.975 0.172 18868 2353 1 7 . 1 1 75 75 THR N N 75 124.638 124.638 117.297 7.341 18868 2354 1 7 . 1 1 75 75 THR C C 75 179.971 179.971 176.460 3.511 18868 2355 1 7 . 1 1 75 75 THR CA C 75 60.600 60.600 66.642 -6.042 18868 2356 1 7 . 1 1 75 75 THR H H 75 7.714 7.714 7.407 0.307 18868 2357 1 7 . 1 1 76 76 PHE N N 76 116.963 116.963 122.998 -6.035 18868 2358 1 7 . 1 1 76 76 PHE C C 76 177.695 177.695 176.726 0.969 18868 2359 1 7 . 1 1 76 76 PHE CA C 76 60.000 60.000 60.792 -0.792 18868 2360 1 7 . 1 1 76 76 PHE H H 76 7.864 7.864 7.571 0.293 18868 2361 1 7 . 1 1 77 77 LEU N N 77 117.568 117.568 118.560 -0.992 18868 2362 1 7 . 1 1 77 77 LEU C C 77 180.668 180.668 178.765 1.903 18868 2363 1 7 . 1 1 77 77 LEU CA C 77 57.800 57.800 57.291 0.509 18868 2364 1 7 . 1 1 77 77 LEU H H 77 7.913 7.913 7.998 -0.085 18868 2365 1 7 . 1 1 78 78 GLY N N 78 104.257 104.257 106.266 -2.009 18868 2366 1 7 . 1 1 78 78 GLY C C 78 176.062 176.062 175.307 0.755 18868 2367 1 7 . 1 1 78 78 GLY CA C 78 47.600 47.600 46.983 0.617 18868 2368 1 7 . 1 1 78 78 GLY H H 78 8.057 8.057 8.352 -0.295 18868 2369 1 7 . 1 1 79 79 ALA N N 79 124.122 124.122 124.862 -0.740 18868 2370 1 7 . 1 1 79 79 ALA C C 79 182.313 182.313 179.176 3.137 18868 2371 1 7 . 1 1 79 79 ALA CA C 79 55.100 55.100 54.809 0.291 18868 2372 1 7 . 1 1 79 79 ALA H H 79 7.804 7.804 7.782 0.022 18868 2373 1 7 . 1 1 80 80 LEU N N 80 117.976 117.976 118.964 -0.988 18868 2374 1 7 . 1 1 80 80 LEU C C 80 178.389 178.389 179.015 -0.626 18868 2375 1 7 . 1 1 80 80 LEU CA C 80 57.400 57.400 57.624 -0.224 18868 2376 1 7 . 1 1 80 80 LEU H H 80 8.045 8.045 7.915 0.130 18868 2377 1 7 . 1 1 81 81 ALA N N 81 121.199 121.199 122.215 -1.016 18868 2378 1 7 . 1 1 81 81 ALA C C 81 181.617 181.617 179.696 1.921 18868 2379 1 7 . 1 1 81 81 ALA CA C 81 55.300 55.300 55.194 0.106 18868 2380 1 7 . 1 1 81 81 ALA H H 81 8.152 8.152 8.020 0.132 18868 2381 1 7 . 1 1 82 82 LEU N N 82 117.392 117.392 119.273 -1.881 18868 2382 1 7 . 1 1 82 82 LEU C C 82 180.828 180.828 179.089 1.739 18868 2383 1 7 . 1 1 82 82 LEU CA C 82 58.800 58.800 57.831 0.969 18868 2384 1 7 . 1 1 82 82 LEU H H 82 7.238 7.238 7.957 -0.719 18868 2385 1 7 . 1 1 83 83 ILE N N 83 124.342 124.342 119.931 4.411 18868 2386 1 7 . 1 1 83 83 ILE C C 83 177.495 177.495 178.031 -0.536 18868 2387 1 7 . 1 1 83 83 ILE CA C 83 60.500 60.500 65.692 -5.192 18868 2388 1 7 . 1 1 83 83 ILE H H 83 8.726 8.726 7.747 0.979 18868 2389 1 7 . 1 1 84 84 TYR N N 84 120.026 120.026 118.250 1.776 18868 2390 1 7 . 1 1 84 84 TYR C C 84 177.236 177.236 178.090 -0.854 18868 2391 1 7 . 1 1 84 84 TYR CA C 84 56.900 56.900 62.334 -5.434 18868 2392 1 7 . 1 1 84 84 TYR H H 84 8.241 8.241 8.009 0.232 18868 2393 1 7 . 1 1 85 85 ASN N N 85 117.125 117.125 117.329 -0.204 18868 2394 1 7 . 1 1 85 85 ASN C C 85 175.508 175.508 177.624 -2.116 18868 2395 1 7 . 1 1 85 85 ASN CA C 85 56.600 56.600 56.299 0.301 18868 2396 1 7 . 1 1 85 85 ASN H H 85 7.681 7.681 8.294 -0.613 18868 2397 1 7 . 1 1 86 86 GLU N N 86 119.756 119.756 120.213 -0.457 18868 2398 1 7 . 1 1 86 86 GLU C C 86 177.821 177.821 178.658 -0.837 18868 2399 1 7 . 1 1 86 86 GLU H H 86 8.790 8.790 8.354 0.436 18868 2400 1 7 . 1 1 87 87 ALA N N 87 112.780 112.780 122.491 -9.711 18868 2401 1 7 . 1 1 87 87 ALA H H 87 8.241 8.241 7.628 0.613 18868 2402 1 7 . 1 1 88 88 LEU N N 88 118.627 118.627 117.330 1.297 18868 2403 1 7 . 1 1 88 88 LEU CA C 88 57.900 57.900 57.049 0.851 18868 2404 1 7 . 1 1 88 88 LEU H H 88 8.384 8.384 7.726 0.658 18868 2405 1 7 . 1 1 89 89 LYS N N 89 118.552 118.552 117.992 0.560 18868 2406 1 7 . 1 1 89 89 LYS C C 89 177.332 177.332 177.422 -0.090 18868 2407 1 7 . 1 1 89 89 LYS CA C 89 56.900 56.900 57.406 -0.506 18868 2408 1 7 . 1 1 89 89 LYS H H 89 7.854 7.854 7.712 0.142 18868 2409 1 8 . 1 1 3 3 SER N N 3 118.627 118.627 116.923 1.704 18868 2410 1 8 . 1 1 3 3 SER H H 3 8.384 8.384 8.589 -0.205 18868 2411 1 8 . 1 1 4 4 PRO C C 4 180.814 180.814 178.834 1.980 18868 2412 1 8 . 1 1 4 4 PRO CA C 4 66.500 66.500 66.012 0.488 18868 2413 1 8 . 1 1 5 5 LEU N N 5 119.501 119.501 117.793 1.708 18868 2414 1 8 . 1 1 5 5 LEU C C 5 179.272 179.272 178.424 0.848 18868 2415 1 8 . 1 1 5 5 LEU CA C 5 58.600 58.600 58.291 0.309 18868 2416 1 8 . 1 1 5 5 LEU H H 5 9.386 9.386 8.051 1.335 18868 2417 1 8 . 1 1 6 6 ASP N N 6 119.191 119.191 118.896 0.295 18868 2418 1 8 . 1 1 6 6 ASP C C 6 182.313 182.313 178.919 3.394 18868 2419 1 8 . 1 1 6 6 ASP CA C 6 58.000 58.000 57.953 0.048 18868 2420 1 8 . 1 1 6 6 ASP H H 6 7.912 7.912 8.047 -0.135 18868 2421 1 8 . 1 1 7 7 GLN N N 7 117.979 117.979 118.832 -0.853 18868 2422 1 8 . 1 1 7 7 GLN C C 7 179.998 179.998 178.438 1.560 18868 2423 1 8 . 1 1 7 7 GLN CA C 7 58.900 58.900 58.488 0.412 18868 2424 1 8 . 1 1 7 7 GLN H H 7 8.065 8.065 8.318 -0.253 18868 2425 1 8 . 1 1 8 8 ALA N N 8 124.008 124.008 123.513 0.495 18868 2426 1 8 . 1 1 8 8 ALA CA C 8 55.500 55.500 55.268 0.232 18868 2427 1 8 . 1 1 8 8 ALA H H 8 8.159 8.159 8.028 0.131 18868 2428 1 8 . 1 1 9 9 ILE C C 9 179.258 179.258 178.438 0.820 18868 2429 1 8 . 1 1 9 9 ILE CA C 9 64.900 64.900 63.121 1.779 18868 2430 1 8 . 1 1 10 10 GLY N N 10 105.447 105.447 108.375 -2.928 18868 2431 1 8 . 1 1 10 10 GLY C C 10 177.984 177.984 176.153 1.831 18868 2432 1 8 . 1 1 10 10 GLY CA C 10 47.300 47.300 47.159 0.141 18868 2433 1 8 . 1 1 10 10 GLY H H 10 8.062 8.062 8.353 -0.291 18868 2434 1 8 . 1 1 11 11 LEU N N 11 124.755 124.755 123.030 1.725 18868 2435 1 8 . 1 1 11 11 LEU C C 11 178.346 178.346 178.545 -0.199 18868 2436 1 8 . 1 1 11 11 LEU CA C 11 58.000 58.000 57.708 0.292 18868 2437 1 8 . 1 1 11 11 LEU H H 11 8.067 8.067 8.084 -0.017 18868 2438 1 8 . 1 1 12 12 LEU N N 12 121.609 121.609 119.040 2.569 18868 2439 1 8 . 1 1 12 12 LEU C C 12 182.560 182.560 179.770 2.790 18868 2440 1 8 . 1 1 12 12 LEU CA C 12 59.000 59.000 57.984 1.016 18868 2441 1 8 . 1 1 12 12 LEU H H 12 7.997 7.997 7.985 0.012 18868 2442 1 8 . 1 1 13 13 VAL N N 13 119.951 119.951 119.387 0.564 18868 2443 1 8 . 1 1 13 13 VAL C C 13 178.016 178.016 178.189 -0.173 18868 2444 1 8 . 1 1 13 13 VAL CA C 13 67.100 67.100 65.531 1.569 18868 2445 1 8 . 1 1 13 13 VAL H H 13 8.087 8.087 8.365 -0.278 18868 2446 1 8 . 1 1 14 14 ALA N N 14 122.867 122.867 123.290 -0.423 18868 2447 1 8 . 1 1 14 14 ALA C C 14 175.380 175.380 180.078 -4.698 18868 2448 1 8 . 1 1 14 14 ALA CA C 14 55.600 55.600 55.431 0.169 18868 2449 1 8 . 1 1 14 14 ALA H H 14 8.363 8.363 8.073 0.290 18868 2450 1 8 . 1 1 15 15 ILE N N 15 118.496 118.496 119.110 -0.614 18868 2451 1 8 . 1 1 15 15 ILE C C 15 178.058 178.058 177.619 0.439 18868 2452 1 8 . 1 1 15 15 ILE CA C 15 64.800 64.800 65.329 -0.529 18868 2453 1 8 . 1 1 15 15 ILE H H 15 8.787 8.787 8.002 0.785 18868 2454 1 8 . 1 1 16 16 PHE N N 16 119.259 119.259 120.250 -0.991 18868 2455 1 8 . 1 1 16 16 PHE H H 16 7.171 7.171 7.618 -0.447 18868 2456 1 8 . 1 1 17 17 HIS C C 17 178.660 178.660 178.022 0.638 18868 2457 1 8 . 1 1 17 17 HIS CA C 17 54.800 54.800 58.991 -4.191 18868 2458 1 8 . 1 1 17 17 HIS CB C 17 30.000 30.000 29.585 0.414 18868 2459 1 8 . 1 1 18 18 LYS N N 18 122.924 122.924 120.408 2.516 18868 2460 1 8 . 1 1 18 18 LYS C C 18 180.221 180.221 178.319 1.902 18868 2461 1 8 . 1 1 18 18 LYS CA C 18 58.800 58.800 59.359 -0.559 18868 2462 1 8 . 1 1 18 18 LYS CB C 18 40.200 40.200 32.413 7.787 18868 2463 1 8 . 1 1 18 18 LYS H H 18 8.880 8.880 7.986 0.894 18868 2464 1 8 . 1 1 19 19 TYR N N 19 120.227 120.227 115.611 4.616 18868 2465 1 8 . 1 1 19 19 TYR C C 19 178.435 178.435 177.733 0.702 18868 2466 1 8 . 1 1 19 19 TYR CA C 19 55.300 55.300 59.852 -4.553 18868 2467 1 8 . 1 1 19 19 TYR H H 19 8.879 8.879 7.706 1.173 18868 2468 1 8 . 1 1 20 20 SER N N 20 119.760 119.760 116.781 2.979 18868 2469 1 8 . 1 1 20 20 SER C C 20 178.376 178.376 176.523 1.853 18868 2470 1 8 . 1 1 20 20 SER CA C 20 56.900 56.900 60.592 -3.692 18868 2471 1 8 . 1 1 20 20 SER CB C 20 61.700 61.700 62.299 -0.599 18868 2472 1 8 . 1 1 20 20 SER H H 20 7.557 7.557 8.028 -0.471 18868 2473 1 8 . 1 1 21 21 GLY N N 21 111.202 111.202 108.075 3.127 18868 2474 1 8 . 1 1 21 21 GLY C C 21 174.862 174.862 175.055 -0.193 18868 2475 1 8 . 1 1 21 21 GLY CA C 21 45.600 45.600 44.788 0.812 18868 2476 1 8 . 1 1 21 21 GLY H H 21 7.696 7.696 7.487 0.209 18868 2477 1 8 . 1 1 22 22 ARG N N 22 122.200 122.200 119.437 2.763 18868 2478 1 8 . 1 1 22 22 ARG C C 22 178.336 178.336 176.872 1.464 18868 2479 1 8 . 1 1 22 22 ARG CA C 22 59.500 59.500 57.720 1.780 18868 2480 1 8 . 1 1 22 22 ARG CB C 22 30.500 30.500 30.833 -0.333 18868 2481 1 8 . 1 1 22 22 ARG H H 22 7.311 7.311 7.617 -0.306 18868 2482 1 8 . 1 1 23 23 GLU N N 23 115.984 115.984 115.967 0.017 18868 2483 1 8 . 1 1 23 23 GLU C C 23 177.129 177.129 176.090 1.039 18868 2484 1 8 . 1 1 23 23 GLU CA C 23 54.300 54.300 55.351 -1.051 18868 2485 1 8 . 1 1 23 23 GLU CB C 23 33.200 33.200 32.190 1.010 18868 2486 1 8 . 1 1 23 23 GLU H H 23 9.488 9.488 8.292 1.196 18868 2487 1 8 . 1 1 24 24 GLY N N 24 114.031 114.031 110.903 3.128 18868 2488 1 8 . 1 1 24 24 GLY C C 24 174.499 174.499 174.074 0.425 18868 2489 1 8 . 1 1 24 24 GLY CA C 24 45.900 45.900 45.322 0.578 18868 2490 1 8 . 1 1 24 24 GLY H H 24 9.048 9.048 8.469 0.579 18868 2491 1 8 . 1 1 25 25 ASP N N 25 125.634 125.634 121.237 4.397 18868 2492 1 8 . 1 1 25 25 ASP C C 25 177.998 177.998 177.604 0.394 18868 2493 1 8 . 1 1 25 25 ASP CA C 25 55.000 55.000 53.838 1.162 18868 2494 1 8 . 1 1 25 25 ASP H H 25 8.249 8.249 8.475 -0.226 18868 2495 1 8 . 1 1 26 26 LYS N N 26 121.469 121.469 124.741 -3.272 18868 2496 1 8 . 1 1 26 26 LYS CA C 26 57.600 57.600 57.576 0.024 18868 2497 1 8 . 1 1 26 26 LYS CB C 26 37.800 37.800 32.361 5.439 18868 2498 1 8 . 1 1 26 26 LYS H H 26 9.043 9.043 8.643 0.400 18868 2499 1 8 . 1 1 27 27 HIS N N 27 112.780 112.780 113.528 -0.748 18868 2500 1 8 . 1 1 27 27 HIS C C 27 175.067 175.067 173.992 1.075 18868 2501 1 8 . 1 1 27 27 HIS CA C 27 55.300 55.300 55.206 0.094 18868 2502 1 8 . 1 1 27 27 HIS CB C 27 30.300 30.300 30.447 -0.147 18868 2503 1 8 . 1 1 27 27 HIS H H 27 8.241 8.241 8.054 0.187 18868 2504 1 8 . 1 1 28 28 THR N N 28 106.447 106.447 110.848 -4.401 18868 2505 1 8 . 1 1 28 28 THR C C 28 174.469 174.469 173.379 1.090 18868 2506 1 8 . 1 1 28 28 THR CA C 28 60.000 60.000 60.465 -0.465 18868 2507 1 8 . 1 1 28 28 THR H H 28 7.248 7.248 7.419 -0.171 18868 2508 1 8 . 1 1 29 29 LEU N N 29 125.037 125.037 125.599 -0.562 18868 2509 1 8 . 1 1 29 29 LEU C C 29 180.751 180.751 177.285 3.466 18868 2510 1 8 . 1 1 29 29 LEU CA C 29 55.200 55.200 53.644 1.556 18868 2511 1 8 . 1 1 29 29 LEU CB C 29 41.800 41.800 42.602 -0.802 18868 2512 1 8 . 1 1 29 29 LEU H H 29 9.421 9.421 8.788 0.633 18868 2513 1 8 . 1 1 30 30 SER N N 30 131.373 131.373 120.977 10.396 18868 2514 1 8 . 1 1 30 30 SER C C 30 177.946 177.946 175.932 2.014 18868 2515 1 8 . 1 1 30 30 SER CA C 30 57.900 57.900 58.057 -0.157 18868 2516 1 8 . 1 1 30 30 SER H H 30 9.312 9.312 9.478 -0.166 18868 2517 1 8 . 1 1 31 31 LYS N N 31 117.689 117.689 121.377 -3.688 18868 2518 1 8 . 1 1 31 31 LYS CA C 31 57.800 57.800 59.565 -1.765 18868 2519 1 8 . 1 1 31 31 LYS H H 31 9.659 9.659 8.895 0.764 18868 2520 1 8 . 1 1 32 32 LYS C C 32 180.677 180.677 178.850 1.827 18868 2521 1 8 . 1 1 32 32 LYS CA C 32 59.800 59.800 59.539 0.261 18868 2522 1 8 . 1 1 33 33 GLU N N 33 120.336 120.336 120.010 0.326 18868 2523 1 8 . 1 1 33 33 GLU C C 33 179.654 179.654 179.206 0.448 18868 2524 1 8 . 1 1 33 33 GLU CA C 33 59.300 59.300 59.208 0.092 18868 2525 1 8 . 1 1 33 33 GLU H H 33 7.608 7.608 7.926 -0.318 18868 2526 1 8 . 1 1 34 34 LEU N N 34 117.303 117.303 120.624 -3.321 18868 2527 1 8 . 1 1 34 34 LEU C C 34 179.420 179.420 177.924 1.496 18868 2528 1 8 . 1 1 34 34 LEU CA C 34 58.200 58.200 57.687 0.513 18868 2529 1 8 . 1 1 34 34 LEU H H 34 7.659 7.659 8.453 -0.794 18868 2530 1 8 . 1 1 35 35 LYS N N 35 116.520 116.520 119.524 -3.004 18868 2531 1 8 . 1 1 35 35 LYS CA C 35 60.700 60.700 60.042 0.658 18868 2532 1 8 . 1 1 35 35 LYS CB C 35 32.000 32.000 32.126 -0.126 18868 2533 1 8 . 1 1 35 35 LYS H H 35 7.731 7.731 7.891 -0.160 18868 2534 1 8 . 1 1 36 36 GLU N N 36 118.365 118.365 120.354 -1.989 18868 2535 1 8 . 1 1 36 36 GLU C C 36 177.868 177.868 178.573 -0.705 18868 2536 1 8 . 1 1 36 36 GLU CA C 36 59.700 59.700 59.192 0.508 18868 2537 1 8 . 1 1 36 36 GLU CB C 36 29.300 29.300 29.580 -0.280 18868 2538 1 8 . 1 1 36 36 GLU H H 36 7.871 7.871 7.770 0.101 18868 2539 1 8 . 1 1 37 37 LEU N N 37 121.068 121.068 120.430 0.638 18868 2540 1 8 . 1 1 37 37 LEU C C 37 176.731 176.731 178.545 -1.814 18868 2541 1 8 . 1 1 37 37 LEU CA C 37 59.500 59.500 57.678 1.822 18868 2542 1 8 . 1 1 37 37 LEU CB C 37 42.700 42.700 41.777 0.923 18868 2543 1 8 . 1 1 37 37 LEU H H 37 7.513 7.513 7.811 -0.298 18868 2544 1 8 . 1 1 38 38 ILE N N 38 117.867 117.867 118.427 -0.560 18868 2545 1 8 . 1 1 38 38 ILE C C 38 178.658 178.658 178.665 -0.007 18868 2546 1 8 . 1 1 38 38 ILE CA C 38 65.300 65.300 65.299 0.001 18868 2547 1 8 . 1 1 38 38 ILE H H 38 8.206 8.206 7.981 0.225 18868 2548 1 8 . 1 1 39 39 GLN N N 39 114.147 114.147 117.853 -3.706 18868 2549 1 8 . 1 1 39 39 GLN C C 39 180.003 180.003 177.782 2.221 18868 2550 1 8 . 1 1 39 39 GLN CA C 39 59.500 59.500 58.698 0.802 18868 2551 1 8 . 1 1 39 39 GLN H H 39 8.238 8.238 8.243 -0.005 18868 2552 1 8 . 1 1 40 40 LYS N N 40 115.051 115.051 116.997 -1.946 18868 2553 1 8 . 1 1 40 40 LYS C C 40 180.483 180.483 178.022 2.461 18868 2554 1 8 . 1 1 40 40 LYS CA C 40 57.500 57.500 57.612 -0.112 18868 2555 1 8 . 1 1 40 40 LYS H H 40 8.298 8.298 7.706 0.592 18868 2556 1 8 . 1 1 41 41 GLU N N 41 112.448 112.448 116.384 -3.936 18868 2557 1 8 . 1 1 41 41 GLU C C 41 178.252 178.252 176.452 1.800 18868 2558 1 8 . 1 1 41 41 GLU CA C 41 55.700 55.700 55.803 -0.103 18868 2559 1 8 . 1 1 41 41 GLU H H 41 8.328 8.328 8.142 0.186 18868 2560 1 8 . 1 1 42 42 LEU N N 42 118.693 118.693 122.596 -3.903 18868 2561 1 8 . 1 1 42 42 LEU C C 42 179.377 179.377 178.069 1.308 18868 2562 1 8 . 1 1 42 42 LEU CA C 42 53.300 53.300 54.236 -0.936 18868 2563 1 8 . 1 1 42 42 LEU H H 42 7.361 7.361 7.767 -0.406 18868 2564 1 8 . 1 1 43 43 THR N N 43 125.535 125.535 123.055 2.480 18868 2565 1 8 . 1 1 43 43 THR C C 43 180.403 180.403 175.738 4.665 18868 2566 1 8 . 1 1 43 43 THR CA C 43 67.300 67.300 66.459 0.841 18868 2567 1 8 . 1 1 43 43 THR H H 43 9.926 9.926 8.837 1.089 18868 2568 1 8 . 1 1 44 44 ILE N N 44 116.467 116.467 119.451 -2.984 18868 2569 1 8 . 1 1 44 44 ILE C C 44 178.107 178.107 177.068 1.039 18868 2570 1 8 . 1 1 44 44 ILE CA C 44 62.400 62.400 59.569 2.831 18868 2571 1 8 . 1 1 44 44 ILE CB C 44 38.300 38.300 37.765 0.535 18868 2572 1 8 . 1 1 44 44 ILE H H 44 8.214 8.214 7.955 0.259 18868 2573 1 8 . 1 1 45 45 GLY N N 45 108.241 108.241 110.112 -1.871 18868 2574 1 8 . 1 1 45 45 GLY C C 45 176.355 176.355 176.171 0.184 18868 2575 1 8 . 1 1 45 45 GLY CA C 45 47.400 47.400 47.763 -0.363 18868 2576 1 8 . 1 1 45 45 GLY H H 45 7.750 7.750 8.343 -0.593 18868 2577 1 8 . 1 1 46 46 SER N N 46 113.635 113.635 114.458 -0.823 18868 2578 1 8 . 1 1 46 46 SER C C 46 176.007 176.007 175.455 0.552 18868 2579 1 8 . 1 1 46 46 SER CA C 46 60.100 60.100 60.391 -0.291 18868 2580 1 8 . 1 1 46 46 SER H H 46 7.847 7.847 8.337 -0.490 18868 2581 1 8 . 1 1 47 47 LYS N N 47 119.437 119.437 119.576 -0.139 18868 2582 1 8 . 1 1 47 47 LYS C C 47 178.100 178.100 176.758 1.342 18868 2583 1 8 . 1 1 47 47 LYS CA C 47 56.000 56.000 56.039 -0.039 18868 2584 1 8 . 1 1 47 47 LYS CB C 47 33.400 33.400 33.342 0.058 18868 2585 1 8 . 1 1 47 47 LYS H H 47 7.709 7.709 7.579 0.130 18868 2586 1 8 . 1 1 48 48 LEU N N 48 120.169 120.169 121.676 -1.507 18868 2587 1 8 . 1 1 48 48 LEU C C 48 178.009 178.009 176.912 1.097 18868 2588 1 8 . 1 1 48 48 LEU CA C 48 55.000 55.000 54.914 0.086 18868 2589 1 8 . 1 1 48 48 LEU H H 48 7.139 7.139 7.433 -0.294 18868 2590 1 8 . 1 1 49 49 GLN N N 49 121.739 121.739 121.293 0.446 18868 2591 1 8 . 1 1 49 49 GLN C C 49 179.051 179.051 176.632 2.419 18868 2592 1 8 . 1 1 49 49 GLN CA C 49 55.800 55.800 56.029 -0.229 18868 2593 1 8 . 1 1 49 49 GLN H H 49 7.917 7.917 8.354 -0.437 18868 2594 1 8 . 1 1 50 50 ASP N N 50 119.121 119.121 123.276 -4.155 18868 2595 1 8 . 1 1 50 50 ASP C C 50 178.335 178.335 178.107 0.228 18868 2596 1 8 . 1 1 50 50 ASP CA C 50 59.300 59.300 57.703 1.597 18868 2597 1 8 . 1 1 50 50 ASP H H 50 7.597 7.597 8.880 -1.283 18868 2598 1 8 . 1 1 51 51 ALA N N 51 116.624 116.624 121.843 -5.219 18868 2599 1 8 . 1 1 51 51 ALA C C 51 181.587 181.587 179.844 1.743 18868 2600 1 8 . 1 1 51 51 ALA CA C 51 57.700 57.700 55.026 2.674 18868 2601 1 8 . 1 1 51 51 ALA H H 51 7.560 7.560 8.358 -0.798 18868 2602 1 8 . 1 1 52 52 GLU N N 52 118.931 118.931 118.747 0.184 18868 2603 1 8 . 1 1 52 52 GLU C C 52 180.495 180.495 179.051 1.444 18868 2604 1 8 . 1 1 52 52 GLU CA C 52 58.900 58.900 58.596 0.304 18868 2605 1 8 . 1 1 52 52 GLU H H 52 8.511 8.511 7.512 0.999 18868 2606 1 8 . 1 1 53 53 ILE N N 53 120.400 120.400 120.711 -0.311 18868 2607 1 8 . 1 1 53 53 ILE CA C 53 59.000 59.000 65.305 -6.304 18868 2608 1 8 . 1 1 53 53 ILE H H 53 7.905 7.905 8.110 -0.205 18868 2609 1 8 . 1 1 54 54 ALA C C 54 181.477 181.477 179.282 2.195 18868 2610 1 8 . 1 1 54 54 ALA CA C 54 55.600 55.600 55.318 0.282 18868 2611 1 8 . 1 1 55 55 ARG N N 55 118.315 118.315 119.122 -0.807 18868 2612 1 8 . 1 1 55 55 ARG C C 55 179.468 179.468 178.156 1.312 18868 2613 1 8 . 1 1 55 55 ARG CA C 55 59.100 59.100 59.175 -0.075 18868 2614 1 8 . 1 1 55 55 ARG H H 55 7.448 7.448 7.839 -0.391 18868 2615 1 8 . 1 1 56 56 LEU N N 56 120.310 120.310 121.697 -1.387 18868 2616 1 8 . 1 1 56 56 LEU C C 56 179.984 179.984 178.551 1.433 18868 2617 1 8 . 1 1 56 56 LEU CA C 56 58.000 58.000 58.066 -0.066 18868 2618 1 8 . 1 1 56 56 LEU H H 56 7.672 7.672 8.269 -0.597 18868 2619 1 8 . 1 1 57 57 MET N N 57 115.780 115.780 116.558 -0.778 18868 2620 1 8 . 1 1 57 57 MET C C 57 179.083 179.083 178.567 0.516 18868 2621 1 8 . 1 1 57 57 MET H H 57 8.354 8.354 8.326 0.028 18868 2622 1 8 . 1 1 58 58 GLU N N 58 117.826 117.826 120.767 -2.941 18868 2623 1 8 . 1 1 58 58 GLU C C 58 179.161 179.161 178.937 0.224 18868 2624 1 8 . 1 1 58 58 GLU CA C 58 59.300 59.300 59.463 -0.163 18868 2625 1 8 . 1 1 58 58 GLU CB C 58 31.100 31.100 29.236 1.863 18868 2626 1 8 . 1 1 58 58 GLU H H 58 7.620 7.620 8.138 -0.518 18868 2627 1 8 . 1 1 59 59 ASP N N 59 117.801 117.801 118.877 -1.076 18868 2628 1 8 . 1 1 59 59 ASP CA C 59 57.200 57.200 56.730 0.470 18868 2629 1 8 . 1 1 59 59 ASP H H 59 8.693 8.693 8.109 0.584 18868 2630 1 8 . 1 1 60 60 LEU N N 60 117.370 117.370 117.143 0.227 18868 2631 1 8 . 1 1 60 60 LEU C C 60 179.216 179.216 177.309 1.907 18868 2632 1 8 . 1 1 60 60 LEU CA C 60 56.200 56.200 56.618 -0.418 18868 2633 1 8 . 1 1 60 60 LEU H H 60 8.159 8.159 7.559 0.600 18868 2634 1 8 . 1 1 61 61 ASP N N 61 117.835 117.835 117.089 0.746 18868 2635 1 8 . 1 1 61 61 ASP C C 61 178.473 178.473 176.427 2.046 18868 2636 1 8 . 1 1 61 61 ASP CA C 61 52.800 52.800 53.339 -0.539 18868 2637 1 8 . 1 1 61 61 ASP CB C 61 39.100 39.100 40.758 -1.658 18868 2638 1 8 . 1 1 61 61 ASP H H 61 7.559 7.559 7.572 -0.013 18868 2639 1 8 . 1 1 62 62 ARG N N 62 125.783 125.783 127.146 -1.363 18868 2640 1 8 . 1 1 62 62 ARG C C 62 178.519 178.519 177.833 0.686 18868 2641 1 8 . 1 1 62 62 ARG CA C 62 58.500 58.500 57.394 1.106 18868 2642 1 8 . 1 1 62 62 ARG CB C 62 30.200 30.200 30.285 -0.085 18868 2643 1 8 . 1 1 62 62 ARG H H 62 7.839 7.839 8.425 -0.586 18868 2644 1 8 . 1 1 63 63 ASN N N 63 112.348 112.348 116.687 -4.339 18868 2645 1 8 . 1 1 63 63 ASN C C 63 175.597 175.597 174.807 0.790 18868 2646 1 8 . 1 1 63 63 ASN CA C 63 51.900 51.900 53.205 -1.305 18868 2647 1 8 . 1 1 63 63 ASN CB C 63 36.700 36.700 38.406 -1.706 18868 2648 1 8 . 1 1 63 63 ASN H H 63 7.899 7.899 7.879 0.020 18868 2649 1 8 . 1 1 64 64 LYS N N 64 114.407 114.407 118.662 -4.255 18868 2650 1 8 . 1 1 64 64 LYS C C 64 176.731 176.731 175.421 1.310 18868 2651 1 8 . 1 1 64 64 LYS CA C 64 59.500 59.500 57.090 2.410 18868 2652 1 8 . 1 1 64 64 LYS H H 64 7.485 7.485 8.160 -0.675 18868 2653 1 8 . 1 1 65 65 ASP N N 65 117.880 117.880 120.644 -2.764 18868 2654 1 8 . 1 1 65 65 ASP C C 65 177.981 177.981 176.224 1.757 18868 2655 1 8 . 1 1 65 65 ASP CA C 65 52.900 52.900 54.202 -1.302 18868 2656 1 8 . 1 1 65 65 ASP H H 65 8.184 8.184 8.344 -0.160 18868 2657 1 8 . 1 1 66 66 GLN N N 66 114.037 114.037 113.326 0.711 18868 2658 1 8 . 1 1 66 66 GLN C C 66 175.374 175.374 174.320 1.054 18868 2659 1 8 . 1 1 66 66 GLN CA C 66 57.900 57.900 57.879 0.021 18868 2660 1 8 . 1 1 66 66 GLN CB C 66 26.200 26.200 26.379 -0.179 18868 2661 1 8 . 1 1 66 66 GLN H H 66 9.917 9.917 8.154 1.763 18868 2662 1 8 . 1 1 67 67 GLU N N 67 117.611 117.611 117.396 0.215 18868 2663 1 8 . 1 1 67 67 GLU C C 67 176.826 176.826 176.091 0.735 18868 2664 1 8 . 1 1 67 67 GLU CA C 67 54.000 54.000 54.278 -0.278 18868 2665 1 8 . 1 1 67 67 GLU CB C 67 33.100 33.100 32.429 0.671 18868 2666 1 8 . 1 1 67 67 GLU H H 67 7.800 7.800 7.727 0.073 18868 2667 1 8 . 1 1 68 68 VAL N N 68 126.064 126.064 125.523 0.541 18868 2668 1 8 . 1 1 68 68 VAL C C 68 177.398 177.398 175.442 1.956 18868 2669 1 8 . 1 1 68 68 VAL CA C 68 61.100 61.100 61.654 -0.554 18868 2670 1 8 . 1 1 68 68 VAL CB C 68 33.300 33.300 32.168 1.132 18868 2671 1 8 . 1 1 68 68 VAL H H 68 9.656 9.656 8.820 0.836 18868 2672 1 8 . 1 1 69 69 ASN N N 69 127.002 127.002 125.177 1.825 18868 2673 1 8 . 1 1 69 69 ASN C C 69 175.438 175.438 176.306 -0.868 18868 2674 1 8 . 1 1 69 69 ASN CA C 69 51.200 51.200 52.803 -1.603 18868 2675 1 8 . 1 1 69 69 ASN H H 69 9.036 9.036 7.791 1.245 18868 2676 1 8 . 1 1 70 70 PHE N N 70 119.437 119.437 119.901 -0.464 18868 2677 1 8 . 1 1 70 70 PHE C C 70 177.652 177.652 177.318 0.334 18868 2678 1 8 . 1 1 70 70 PHE CA C 70 63.300 63.300 62.189 1.111 18868 2679 1 8 . 1 1 70 70 PHE H H 70 9.055 9.055 9.041 0.014 18868 2680 1 8 . 1 1 71 71 GLN N N 71 117.576 117.576 117.535 0.041 18868 2681 1 8 . 1 1 71 71 GLN C C 71 180.488 180.488 178.495 1.993 18868 2682 1 8 . 1 1 71 71 GLN CA C 71 60.100 60.100 59.487 0.613 18868 2683 1 8 . 1 1 71 71 GLN CB C 71 27.900 27.900 28.039 -0.139 18868 2684 1 8 . 1 1 71 71 GLN H H 71 8.273 8.273 8.581 -0.308 18868 2685 1 8 . 1 1 72 72 GLU N N 72 119.971 119.971 120.244 -0.273 18868 2686 1 8 . 1 1 72 72 GLU C C 72 179.001 179.001 178.712 0.289 18868 2687 1 8 . 1 1 72 72 GLU CA C 72 58.700 58.700 58.800 -0.100 18868 2688 1 8 . 1 1 72 72 GLU H H 72 8.631 8.631 7.897 0.734 18868 2689 1 8 . 1 1 73 73 TYR N N 73 120.475 120.475 121.452 -0.977 18868 2690 1 8 . 1 1 73 73 TYR C C 73 180.040 180.040 177.249 2.791 18868 2691 1 8 . 1 1 73 73 TYR H H 73 7.721 7.721 7.721 0.000 18868 2692 1 8 . 1 1 74 74 VAL N N 74 119.604 119.604 118.757 0.847 18868 2693 1 8 . 1 1 74 74 VAL C C 74 177.821 177.821 177.884 -0.063 18868 2694 1 8 . 1 1 74 74 VAL CA C 74 60.200 60.200 66.982 -6.782 18868 2695 1 8 . 1 1 74 74 VAL CB C 74 33.800 33.800 31.225 2.575 18868 2696 1 8 . 1 1 74 74 VAL H H 74 8.147 8.147 7.746 0.401 18868 2697 1 8 . 1 1 75 75 THR N N 75 124.638 124.638 117.314 7.324 18868 2698 1 8 . 1 1 75 75 THR C C 75 179.971 179.971 176.436 3.535 18868 2699 1 8 . 1 1 75 75 THR CA C 75 60.600 60.600 66.282 -5.682 18868 2700 1 8 . 1 1 75 75 THR H H 75 7.714 7.714 7.465 0.249 18868 2701 1 8 . 1 1 76 76 PHE N N 76 116.963 116.963 122.944 -5.981 18868 2702 1 8 . 1 1 76 76 PHE C C 76 177.695 177.695 176.718 0.977 18868 2703 1 8 . 1 1 76 76 PHE CA C 76 60.000 60.000 60.789 -0.789 18868 2704 1 8 . 1 1 76 76 PHE H H 76 7.864 7.864 7.604 0.260 18868 2705 1 8 . 1 1 77 77 LEU N N 77 117.568 117.568 118.566 -0.998 18868 2706 1 8 . 1 1 77 77 LEU C C 77 180.668 180.668 178.766 1.902 18868 2707 1 8 . 1 1 77 77 LEU CA C 77 57.800 57.800 57.293 0.507 18868 2708 1 8 . 1 1 77 77 LEU H H 77 7.913 7.913 8.007 -0.094 18868 2709 1 8 . 1 1 78 78 GLY N N 78 104.257 104.257 106.273 -2.016 18868 2710 1 8 . 1 1 78 78 GLY C C 78 176.062 176.062 175.308 0.754 18868 2711 1 8 . 1 1 78 78 GLY CA C 78 47.600 47.600 46.987 0.613 18868 2712 1 8 . 1 1 78 78 GLY H H 78 8.057 8.057 8.356 -0.299 18868 2713 1 8 . 1 1 79 79 ALA N N 79 124.122 124.122 124.993 -0.871 18868 2714 1 8 . 1 1 79 79 ALA C C 79 182.313 182.313 179.199 3.114 18868 2715 1 8 . 1 1 79 79 ALA CA C 79 55.100 55.100 54.851 0.249 18868 2716 1 8 . 1 1 79 79 ALA H H 79 7.804 7.804 7.799 0.005 18868 2717 1 8 . 1 1 80 80 LEU N N 80 117.976 117.976 118.961 -0.985 18868 2718 1 8 . 1 1 80 80 LEU C C 80 178.389 178.389 179.015 -0.626 18868 2719 1 8 . 1 1 80 80 LEU CA C 80 57.400 57.400 57.624 -0.224 18868 2720 1 8 . 1 1 80 80 LEU H H 80 8.045 8.045 7.919 0.126 18868 2721 1 8 . 1 1 81 81 ALA N N 81 121.199 121.199 122.218 -1.019 18868 2722 1 8 . 1 1 81 81 ALA C C 81 181.617 181.617 179.696 1.921 18868 2723 1 8 . 1 1 81 81 ALA CA C 81 55.300 55.300 55.196 0.104 18868 2724 1 8 . 1 1 81 81 ALA H H 81 8.152 8.152 8.017 0.135 18868 2725 1 8 . 1 1 82 82 LEU N N 82 117.392 117.392 119.268 -1.876 18868 2726 1 8 . 1 1 82 82 LEU C C 82 180.828 180.828 179.088 1.740 18868 2727 1 8 . 1 1 82 82 LEU CA C 82 58.800 58.800 57.830 0.970 18868 2728 1 8 . 1 1 82 82 LEU H H 82 7.238 7.238 7.957 -0.719 18868 2729 1 8 . 1 1 83 83 ILE N N 83 124.342 124.342 119.947 4.395 18868 2730 1 8 . 1 1 83 83 ILE C C 83 177.495 177.495 178.075 -0.580 18868 2731 1 8 . 1 1 83 83 ILE CA C 83 60.500 60.500 65.661 -5.161 18868 2732 1 8 . 1 1 83 83 ILE H H 83 8.726 8.726 7.745 0.981 18868 2733 1 8 . 1 1 84 84 TYR N N 84 120.026 120.026 118.186 1.840 18868 2734 1 8 . 1 1 84 84 TYR C C 84 177.236 177.236 178.074 -0.838 18868 2735 1 8 . 1 1 84 84 TYR CA C 84 56.900 56.900 62.318 -5.418 18868 2736 1 8 . 1 1 84 84 TYR H H 84 8.241 8.241 8.000 0.241 18868 2737 1 8 . 1 1 85 85 ASN N N 85 117.125 117.125 117.339 -0.214 18868 2738 1 8 . 1 1 85 85 ASN C C 85 175.508 175.508 177.627 -2.119 18868 2739 1 8 . 1 1 85 85 ASN CA C 85 56.600 56.600 56.300 0.300 18868 2740 1 8 . 1 1 85 85 ASN H H 85 7.681 7.681 8.292 -0.611 18868 2741 1 8 . 1 1 86 86 GLU N N 86 119.756 119.756 119.994 -0.238 18868 2742 1 8 . 1 1 86 86 GLU C C 86 177.821 177.821 178.623 -0.802 18868 2743 1 8 . 1 1 86 86 GLU H H 86 8.790 8.790 8.361 0.429 18868 2744 1 8 . 1 1 87 87 ALA N N 87 112.780 112.780 122.586 -9.806 18868 2745 1 8 . 1 1 87 87 ALA H H 87 8.241 8.241 7.525 0.716 18868 2746 1 8 . 1 1 88 88 LEU N N 88 118.627 118.627 117.410 1.217 18868 2747 1 8 . 1 1 88 88 LEU CA C 88 57.900 57.900 56.765 1.135 18868 2748 1 8 . 1 1 88 88 LEU H H 88 8.384 8.384 7.590 0.794 18868 2749 1 8 . 1 1 89 89 LYS N N 89 118.552 118.552 117.481 1.071 18868 2750 1 8 . 1 1 89 89 LYS C C 89 177.332 177.332 177.572 -0.240 18868 2751 1 8 . 1 1 89 89 LYS CA C 89 56.900 56.900 56.861 0.039 18868 2752 1 8 . 1 1 89 89 LYS H H 89 7.854 7.854 7.545 0.309 18868 2753 1 9 . 1 1 3 3 SER N N 3 118.627 118.627 116.901 1.726 18868 2754 1 9 . 1 1 3 3 SER H H 3 8.384 8.384 8.580 -0.196 18868 2755 1 9 . 1 1 4 4 PRO C C 4 180.814 180.814 178.837 1.977 18868 2756 1 9 . 1 1 4 4 PRO CA C 4 66.500 66.500 65.999 0.501 18868 2757 1 9 . 1 1 5 5 LEU N N 5 119.501 119.501 117.783 1.718 18868 2758 1 9 . 1 1 5 5 LEU C C 5 179.272 179.272 178.418 0.854 18868 2759 1 9 . 1 1 5 5 LEU CA C 5 58.600 58.600 58.287 0.313 18868 2760 1 9 . 1 1 5 5 LEU H H 5 9.386 9.386 8.049 1.337 18868 2761 1 9 . 1 1 6 6 ASP N N 6 119.191 119.191 118.896 0.295 18868 2762 1 9 . 1 1 6 6 ASP C C 6 182.313 182.313 178.914 3.399 18868 2763 1 9 . 1 1 6 6 ASP CA C 6 58.000 58.000 57.948 0.052 18868 2764 1 9 . 1 1 6 6 ASP H H 6 7.912 7.912 8.042 -0.130 18868 2765 1 9 . 1 1 7 7 GLN N N 7 117.979 117.979 118.829 -0.850 18868 2766 1 9 . 1 1 7 7 GLN C C 7 179.998 179.998 178.434 1.564 18868 2767 1 9 . 1 1 7 7 GLN CA C 7 58.900 58.900 58.483 0.417 18868 2768 1 9 . 1 1 7 7 GLN H H 7 8.065 8.065 8.314 -0.249 18868 2769 1 9 . 1 1 8 8 ALA N N 8 124.008 124.008 123.520 0.488 18868 2770 1 9 . 1 1 8 8 ALA CA C 8 55.500 55.500 55.268 0.232 18868 2771 1 9 . 1 1 8 8 ALA H H 8 8.159 8.159 8.027 0.132 18868 2772 1 9 . 1 1 9 9 ILE C C 9 179.258 179.258 178.432 0.826 18868 2773 1 9 . 1 1 9 9 ILE CA C 9 64.900 64.900 63.115 1.785 18868 2774 1 9 . 1 1 10 10 GLY N N 10 105.447 105.447 108.359 -2.912 18868 2775 1 9 . 1 1 10 10 GLY C C 10 177.984 177.984 176.143 1.841 18868 2776 1 9 . 1 1 10 10 GLY CA C 10 47.300 47.300 47.146 0.154 18868 2777 1 9 . 1 1 10 10 GLY H H 10 8.062 8.062 8.347 -0.285 18868 2778 1 9 . 1 1 11 11 LEU N N 11 124.755 124.755 123.022 1.733 18868 2779 1 9 . 1 1 11 11 LEU C C 11 178.346 178.346 178.540 -0.194 18868 2780 1 9 . 1 1 11 11 LEU CA C 11 58.000 58.000 57.703 0.297 18868 2781 1 9 . 1 1 11 11 LEU H H 11 8.067 8.067 8.079 -0.012 18868 2782 1 9 . 1 1 12 12 LEU N N 12 121.609 121.609 119.014 2.595 18868 2783 1 9 . 1 1 12 12 LEU C C 12 182.560 182.560 179.738 2.822 18868 2784 1 9 . 1 1 12 12 LEU CA C 12 59.000 59.000 58.006 0.994 18868 2785 1 9 . 1 1 12 12 LEU H H 12 7.997 7.997 7.978 0.019 18868 2786 1 9 . 1 1 13 13 VAL N N 13 119.951 119.951 119.368 0.583 18868 2787 1 9 . 1 1 13 13 VAL C C 13 178.016 178.016 178.166 -0.150 18868 2788 1 9 . 1 1 13 13 VAL CA C 13 67.100 67.100 65.485 1.615 18868 2789 1 9 . 1 1 13 13 VAL H H 13 8.087 8.087 8.351 -0.264 18868 2790 1 9 . 1 1 14 14 ALA N N 14 122.867 122.867 123.271 -0.404 18868 2791 1 9 . 1 1 14 14 ALA C C 14 175.380 175.380 180.080 -4.700 18868 2792 1 9 . 1 1 14 14 ALA CA C 14 55.600 55.600 55.424 0.176 18868 2793 1 9 . 1 1 14 14 ALA H H 14 8.363 8.363 8.057 0.305 18868 2794 1 9 . 1 1 15 15 ILE N N 15 118.496 118.496 119.107 -0.611 18868 2795 1 9 . 1 1 15 15 ILE C C 15 178.058 178.058 177.637 0.421 18868 2796 1 9 . 1 1 15 15 ILE CA C 15 64.800 64.800 65.329 -0.529 18868 2797 1 9 . 1 1 15 15 ILE H H 15 8.787 8.787 7.998 0.789 18868 2798 1 9 . 1 1 16 16 PHE N N 16 119.259 119.259 120.283 -1.024 18868 2799 1 9 . 1 1 16 16 PHE H H 16 7.171 7.171 7.643 -0.472 18868 2800 1 9 . 1 1 17 17 HIS C C 17 178.660 178.660 178.052 0.608 18868 2801 1 9 . 1 1 17 17 HIS CA C 17 54.800 54.800 59.017 -4.217 18868 2802 1 9 . 1 1 17 17 HIS CB C 17 30.000 30.000 29.610 0.390 18868 2803 1 9 . 1 1 18 18 LYS N N 18 122.924 122.924 120.434 2.490 18868 2804 1 9 . 1 1 18 18 LYS C C 18 180.221 180.221 178.337 1.884 18868 2805 1 9 . 1 1 18 18 LYS CA C 18 58.800 58.800 59.383 -0.583 18868 2806 1 9 . 1 1 18 18 LYS CB C 18 40.200 40.200 32.425 7.775 18868 2807 1 9 . 1 1 18 18 LYS H H 18 8.880 8.880 8.005 0.875 18868 2808 1 9 . 1 1 19 19 TYR N N 19 120.227 120.227 115.618 4.609 18868 2809 1 9 . 1 1 19 19 TYR C C 19 178.435 178.435 177.771 0.664 18868 2810 1 9 . 1 1 19 19 TYR CA C 19 55.300 55.300 59.865 -4.565 18868 2811 1 9 . 1 1 19 19 TYR H H 19 8.879 8.879 7.726 1.153 18868 2812 1 9 . 1 1 20 20 SER N N 20 119.760 119.760 116.789 2.971 18868 2813 1 9 . 1 1 20 20 SER C C 20 178.376 178.376 176.517 1.859 18868 2814 1 9 . 1 1 20 20 SER CA C 20 56.900 56.900 60.607 -3.707 18868 2815 1 9 . 1 1 20 20 SER CB C 20 61.700 61.700 62.397 -0.696 18868 2816 1 9 . 1 1 20 20 SER H H 20 7.557 7.557 8.052 -0.495 18868 2817 1 9 . 1 1 21 21 GLY N N 21 111.202 111.202 108.031 3.171 18868 2818 1 9 . 1 1 21 21 GLY C C 21 174.862 174.862 175.090 -0.228 18868 2819 1 9 . 1 1 21 21 GLY CA C 21 45.600 45.600 44.827 0.773 18868 2820 1 9 . 1 1 21 21 GLY H H 21 7.696 7.696 7.529 0.167 18868 2821 1 9 . 1 1 22 22 ARG N N 22 122.200 122.200 119.445 2.755 18868 2822 1 9 . 1 1 22 22 ARG C C 22 178.336 178.336 176.877 1.459 18868 2823 1 9 . 1 1 22 22 ARG CA C 22 59.500 59.500 57.737 1.763 18868 2824 1 9 . 1 1 22 22 ARG CB C 22 30.500 30.500 30.845 -0.345 18868 2825 1 9 . 1 1 22 22 ARG H H 22 7.311 7.311 7.648 -0.337 18868 2826 1 9 . 1 1 23 23 GLU N N 23 115.984 115.984 115.878 0.106 18868 2827 1 9 . 1 1 23 23 GLU C C 23 177.129 177.129 176.033 1.096 18868 2828 1 9 . 1 1 23 23 GLU CA C 23 54.300 54.300 55.304 -1.004 18868 2829 1 9 . 1 1 23 23 GLU CB C 23 33.200 33.200 32.239 0.961 18868 2830 1 9 . 1 1 23 23 GLU H H 23 9.488 9.488 8.325 1.163 18868 2831 1 9 . 1 1 24 24 GLY N N 24 114.031 114.031 110.938 3.093 18868 2832 1 9 . 1 1 24 24 GLY C C 24 174.499 174.499 174.002 0.497 18868 2833 1 9 . 1 1 24 24 GLY CA C 24 45.900 45.900 45.342 0.558 18868 2834 1 9 . 1 1 24 24 GLY H H 24 9.048 9.048 8.457 0.591 18868 2835 1 9 . 1 1 25 25 ASP N N 25 125.634 125.634 121.183 4.451 18868 2836 1 9 . 1 1 25 25 ASP C C 25 177.998 177.998 177.646 0.352 18868 2837 1 9 . 1 1 25 25 ASP CA C 25 55.000 55.000 53.830 1.170 18868 2838 1 9 . 1 1 25 25 ASP H H 25 8.249 8.249 8.434 -0.185 18868 2839 1 9 . 1 1 26 26 LYS N N 26 121.469 121.469 125.568 -4.099 18868 2840 1 9 . 1 1 26 26 LYS CA C 26 57.600 57.600 58.069 -0.469 18868 2841 1 9 . 1 1 26 26 LYS CB C 26 37.800 37.800 32.508 5.292 18868 2842 1 9 . 1 1 26 26 LYS H H 26 9.043 9.043 8.538 0.505 18868 2843 1 9 . 1 1 27 27 HIS N N 27 112.780 112.780 113.191 -0.411 18868 2844 1 9 . 1 1 27 27 HIS C C 27 175.067 175.067 174.208 0.859 18868 2845 1 9 . 1 1 27 27 HIS CA C 27 55.300 55.300 54.777 0.523 18868 2846 1 9 . 1 1 27 27 HIS CB C 27 30.300 30.300 30.978 -0.678 18868 2847 1 9 . 1 1 27 27 HIS H H 27 8.241 8.241 7.921 0.320 18868 2848 1 9 . 1 1 28 28 THR N N 28 106.447 106.447 110.440 -3.993 18868 2849 1 9 . 1 1 28 28 THR C C 28 174.469 174.469 173.325 1.144 18868 2850 1 9 . 1 1 28 28 THR CA C 28 60.000 60.000 60.125 -0.125 18868 2851 1 9 . 1 1 28 28 THR H H 28 7.248 7.248 7.405 -0.157 18868 2852 1 9 . 1 1 29 29 LEU N N 29 125.037 125.037 124.773 0.264 18868 2853 1 9 . 1 1 29 29 LEU C C 29 180.751 180.751 177.219 3.532 18868 2854 1 9 . 1 1 29 29 LEU CA C 29 55.200 55.200 53.526 1.674 18868 2855 1 9 . 1 1 29 29 LEU CB C 29 41.800 41.800 42.899 -1.099 18868 2856 1 9 . 1 1 29 29 LEU H H 29 9.421 9.421 8.688 0.733 18868 2857 1 9 . 1 1 30 30 SER N N 30 131.373 131.373 121.241 10.132 18868 2858 1 9 . 1 1 30 30 SER C C 30 177.946 177.946 175.994 1.952 18868 2859 1 9 . 1 1 30 30 SER CA C 30 57.900 57.900 58.355 -0.455 18868 2860 1 9 . 1 1 30 30 SER H H 30 9.312 9.312 9.522 -0.210 18868 2861 1 9 . 1 1 31 31 LYS N N 31 117.689 117.689 121.306 -3.617 18868 2862 1 9 . 1 1 31 31 LYS CA C 31 57.800 57.800 59.575 -1.775 18868 2863 1 9 . 1 1 31 31 LYS H H 31 9.659 9.659 8.898 0.761 18868 2864 1 9 . 1 1 32 32 LYS C C 32 180.677 180.677 178.852 1.825 18868 2865 1 9 . 1 1 32 32 LYS CA C 32 59.800 59.800 59.538 0.262 18868 2866 1 9 . 1 1 33 33 GLU N N 33 120.336 120.336 120.021 0.315 18868 2867 1 9 . 1 1 33 33 GLU C C 33 179.654 179.654 179.210 0.444 18868 2868 1 9 . 1 1 33 33 GLU CA C 33 59.300 59.300 59.216 0.084 18868 2869 1 9 . 1 1 33 33 GLU H H 33 7.608 7.608 7.931 -0.323 18868 2870 1 9 . 1 1 34 34 LEU N N 34 117.303 117.303 120.626 -3.323 18868 2871 1 9 . 1 1 34 34 LEU C C 34 179.420 179.420 177.933 1.487 18868 2872 1 9 . 1 1 34 34 LEU CA C 34 58.200 58.200 57.694 0.506 18868 2873 1 9 . 1 1 34 34 LEU H H 34 7.659 7.659 8.454 -0.795 18868 2874 1 9 . 1 1 35 35 LYS N N 35 116.520 116.520 119.531 -3.011 18868 2875 1 9 . 1 1 35 35 LYS CA C 35 60.700 60.700 60.048 0.652 18868 2876 1 9 . 1 1 35 35 LYS CB C 35 32.000 32.000 32.128 -0.128 18868 2877 1 9 . 1 1 35 35 LYS H H 35 7.731 7.731 7.897 -0.166 18868 2878 1 9 . 1 1 36 36 GLU N N 36 118.365 118.365 120.358 -1.993 18868 2879 1 9 . 1 1 36 36 GLU C C 36 177.868 177.868 178.570 -0.702 18868 2880 1 9 . 1 1 36 36 GLU CA C 36 59.700 59.700 59.194 0.506 18868 2881 1 9 . 1 1 36 36 GLU CB C 36 29.300 29.300 29.581 -0.281 18868 2882 1 9 . 1 1 36 36 GLU H H 36 7.871 7.871 7.772 0.099 18868 2883 1 9 . 1 1 37 37 LEU N N 37 121.068 121.068 120.417 0.651 18868 2884 1 9 . 1 1 37 37 LEU C C 37 176.731 176.731 178.545 -1.814 18868 2885 1 9 . 1 1 37 37 LEU CA C 37 59.500 59.500 57.672 1.828 18868 2886 1 9 . 1 1 37 37 LEU CB C 37 42.700 42.700 41.771 0.929 18868 2887 1 9 . 1 1 37 37 LEU H H 37 7.513 7.513 7.805 -0.292 18868 2888 1 9 . 1 1 38 38 ILE N N 38 117.867 117.867 118.427 -0.560 18868 2889 1 9 . 1 1 38 38 ILE C C 38 178.658 178.658 178.658 0.000 18868 2890 1 9 . 1 1 38 38 ILE CA C 38 65.300 65.300 65.293 0.007 18868 2891 1 9 . 1 1 38 38 ILE H H 38 8.206 8.206 7.985 0.221 18868 2892 1 9 . 1 1 39 39 GLN N N 39 114.147 114.147 117.852 -3.705 18868 2893 1 9 . 1 1 39 39 GLN C C 39 180.003 180.003 177.780 2.223 18868 2894 1 9 . 1 1 39 39 GLN CA C 39 59.500 59.500 58.695 0.805 18868 2895 1 9 . 1 1 39 39 GLN H H 39 8.238 8.238 8.241 -0.003 18868 2896 1 9 . 1 1 40 40 LYS N N 40 115.051 115.051 116.999 -1.948 18868 2897 1 9 . 1 1 40 40 LYS C C 40 180.483 180.483 178.021 2.462 18868 2898 1 9 . 1 1 40 40 LYS CA C 40 57.500 57.500 57.610 -0.110 18868 2899 1 9 . 1 1 40 40 LYS H H 40 8.298 8.298 7.704 0.594 18868 2900 1 9 . 1 1 41 41 GLU N N 41 112.448 112.448 116.386 -3.938 18868 2901 1 9 . 1 1 41 41 GLU C C 41 178.252 178.252 176.451 1.801 18868 2902 1 9 . 1 1 41 41 GLU CA C 41 55.700 55.700 55.803 -0.103 18868 2903 1 9 . 1 1 41 41 GLU H H 41 8.328 8.328 8.141 0.187 18868 2904 1 9 . 1 1 42 42 LEU N N 42 118.693 118.693 122.595 -3.902 18868 2905 1 9 . 1 1 42 42 LEU C C 42 179.377 179.377 178.069 1.308 18868 2906 1 9 . 1 1 42 42 LEU CA C 42 53.300 53.300 54.232 -0.932 18868 2907 1 9 . 1 1 42 42 LEU H H 42 7.361 7.361 7.761 -0.400 18868 2908 1 9 . 1 1 43 43 THR N N 43 125.535 125.535 122.617 2.918 18868 2909 1 9 . 1 1 43 43 THR C C 43 180.403 180.403 175.359 5.044 18868 2910 1 9 . 1 1 43 43 THR CA C 43 67.300 67.300 66.218 1.082 18868 2911 1 9 . 1 1 43 43 THR H H 43 9.926 9.926 8.754 1.172 18868 2912 1 9 . 1 1 44 44 ILE N N 44 116.467 116.467 119.178 -2.711 18868 2913 1 9 . 1 1 44 44 ILE C C 44 178.107 178.107 177.297 0.810 18868 2914 1 9 . 1 1 44 44 ILE CA C 44 62.400 62.400 59.761 2.639 18868 2915 1 9 . 1 1 44 44 ILE CB C 44 38.300 38.300 37.821 0.479 18868 2916 1 9 . 1 1 44 44 ILE H H 44 8.214 8.214 7.847 0.367 18868 2917 1 9 . 1 1 45 45 GLY N N 45 108.241 108.241 110.132 -1.891 18868 2918 1 9 . 1 1 45 45 GLY C C 45 176.355 176.355 176.168 0.187 18868 2919 1 9 . 1 1 45 45 GLY CA C 45 47.400 47.400 47.769 -0.369 18868 2920 1 9 . 1 1 45 45 GLY H H 45 7.750 7.750 8.342 -0.592 18868 2921 1 9 . 1 1 46 46 SER N N 46 113.635 113.635 114.491 -0.856 18868 2922 1 9 . 1 1 46 46 SER C C 46 176.007 176.007 175.461 0.546 18868 2923 1 9 . 1 1 46 46 SER CA C 46 60.100 60.100 60.373 -0.273 18868 2924 1 9 . 1 1 46 46 SER H H 46 7.847 7.847 8.336 -0.489 18868 2925 1 9 . 1 1 47 47 LYS N N 47 119.437 119.437 119.565 -0.128 18868 2926 1 9 . 1 1 47 47 LYS C C 47 178.100 178.100 176.763 1.337 18868 2927 1 9 . 1 1 47 47 LYS CA C 47 56.000 56.000 56.042 -0.042 18868 2928 1 9 . 1 1 47 47 LYS CB C 47 33.400 33.400 33.336 0.064 18868 2929 1 9 . 1 1 47 47 LYS H H 47 7.709 7.709 7.580 0.129 18868 2930 1 9 . 1 1 48 48 LEU N N 48 120.169 120.169 121.680 -1.511 18868 2931 1 9 . 1 1 48 48 LEU C C 48 178.009 178.009 176.912 1.097 18868 2932 1 9 . 1 1 48 48 LEU CA C 48 55.000 55.000 54.916 0.084 18868 2933 1 9 . 1 1 48 48 LEU H H 48 7.139 7.139 7.431 -0.292 18868 2934 1 9 . 1 1 49 49 GLN N N 49 121.739 121.739 121.299 0.440 18868 2935 1 9 . 1 1 49 49 GLN C C 49 179.051 179.051 176.632 2.419 18868 2936 1 9 . 1 1 49 49 GLN CA C 49 55.800 55.800 56.028 -0.228 18868 2937 1 9 . 1 1 49 49 GLN H H 49 7.917 7.917 8.354 -0.437 18868 2938 1 9 . 1 1 50 50 ASP N N 50 119.121 119.121 123.283 -4.162 18868 2939 1 9 . 1 1 50 50 ASP C C 50 178.335 178.335 178.107 0.228 18868 2940 1 9 . 1 1 50 50 ASP CA C 50 59.300 59.300 57.705 1.595 18868 2941 1 9 . 1 1 50 50 ASP H H 50 7.597 7.597 8.879 -1.282 18868 2942 1 9 . 1 1 51 51 ALA N N 51 116.624 116.624 121.837 -5.213 18868 2943 1 9 . 1 1 51 51 ALA C C 51 181.587 181.587 179.841 1.746 18868 2944 1 9 . 1 1 51 51 ALA CA C 51 57.700 57.700 55.025 2.675 18868 2945 1 9 . 1 1 51 51 ALA H H 51 7.560 7.560 8.356 -0.796 18868 2946 1 9 . 1 1 52 52 GLU N N 52 118.931 118.931 118.744 0.187 18868 2947 1 9 . 1 1 52 52 GLU C C 52 180.495 180.495 179.046 1.449 18868 2948 1 9 . 1 1 52 52 GLU CA C 52 58.900 58.900 58.597 0.303 18868 2949 1 9 . 1 1 52 52 GLU H H 52 8.511 8.511 7.511 1.000 18868 2950 1 9 . 1 1 53 53 ILE N N 53 120.400 120.400 120.708 -0.308 18868 2951 1 9 . 1 1 53 53 ILE CA C 53 59.000 59.000 65.301 -6.301 18868 2952 1 9 . 1 1 53 53 ILE H H 53 7.905 7.905 8.106 -0.201 18868 2953 1 9 . 1 1 54 54 ALA C C 54 181.477 181.477 179.279 2.198 18868 2954 1 9 . 1 1 54 54 ALA CA C 54 55.600 55.600 55.315 0.285 18868 2955 1 9 . 1 1 55 55 ARG N N 55 118.315 118.315 119.122 -0.807 18868 2956 1 9 . 1 1 55 55 ARG C C 55 179.468 179.468 178.151 1.317 18868 2957 1 9 . 1 1 55 55 ARG CA C 55 59.100 59.100 59.170 -0.071 18868 2958 1 9 . 1 1 55 55 ARG H H 55 7.448 7.448 7.835 -0.387 18868 2959 1 9 . 1 1 56 56 LEU N N 56 120.310 120.310 121.701 -1.391 18868 2960 1 9 . 1 1 56 56 LEU C C 56 179.984 179.984 178.517 1.467 18868 2961 1 9 . 1 1 56 56 LEU CA C 56 58.000 58.000 58.064 -0.064 18868 2962 1 9 . 1 1 56 56 LEU H H 56 7.672 7.672 8.270 -0.598 18868 2963 1 9 . 1 1 57 57 MET N N 57 115.780 115.780 116.596 -0.816 18868 2964 1 9 . 1 1 57 57 MET C C 57 179.083 179.083 178.558 0.525 18868 2965 1 9 . 1 1 57 57 MET H H 57 8.354 8.354 8.330 0.024 18868 2966 1 9 . 1 1 58 58 GLU N N 58 117.826 117.826 120.665 -2.839 18868 2967 1 9 . 1 1 58 58 GLU C C 58 179.161 179.161 178.822 0.339 18868 2968 1 9 . 1 1 58 58 GLU CA C 58 59.300 59.300 59.445 -0.145 18868 2969 1 9 . 1 1 58 58 GLU CB C 58 31.100 31.100 29.277 1.823 18868 2970 1 9 . 1 1 58 58 GLU H H 58 7.620 7.620 8.084 -0.464 18868 2971 1 9 . 1 1 59 59 ASP N N 59 117.801 117.801 119.598 -1.797 18868 2972 1 9 . 1 1 59 59 ASP CA C 59 57.200 57.200 56.986 0.214 18868 2973 1 9 . 1 1 59 59 ASP H H 59 8.693 8.693 8.107 0.586 18868 2974 1 9 . 1 1 60 60 LEU N N 60 117.370 117.370 118.513 -1.143 18868 2975 1 9 . 1 1 60 60 LEU C C 60 179.216 179.216 177.280 1.936 18868 2976 1 9 . 1 1 60 60 LEU CA C 60 56.200 56.200 57.144 -0.944 18868 2977 1 9 . 1 1 60 60 LEU H H 60 8.159 8.159 7.733 0.426 18868 2978 1 9 . 1 1 61 61 ASP N N 61 117.835 117.835 116.195 1.640 18868 2979 1 9 . 1 1 61 61 ASP C C 61 178.473 178.473 176.530 1.943 18868 2980 1 9 . 1 1 61 61 ASP CA C 61 52.800 52.800 54.106 -1.306 18868 2981 1 9 . 1 1 61 61 ASP CB C 61 39.100 39.100 41.397 -2.297 18868 2982 1 9 . 1 1 61 61 ASP H H 61 7.559 7.559 7.606 -0.047 18868 2983 1 9 . 1 1 62 62 ARG N N 62 125.783 125.783 127.528 -1.745 18868 2984 1 9 . 1 1 62 62 ARG C C 62 178.519 178.519 177.718 0.801 18868 2985 1 9 . 1 1 62 62 ARG CA C 62 58.500 58.500 57.047 1.452 18868 2986 1 9 . 1 1 62 62 ARG CB C 62 30.200 30.200 30.716 -0.516 18868 2987 1 9 . 1 1 62 62 ARG H H 62 7.839 7.839 8.631 -0.792 18868 2988 1 9 . 1 1 63 63 ASN N N 63 112.348 112.348 117.131 -4.783 18868 2989 1 9 . 1 1 63 63 ASN C C 63 175.597 175.597 174.857 0.740 18868 2990 1 9 . 1 1 63 63 ASN CA C 63 51.900 51.900 53.131 -1.231 18868 2991 1 9 . 1 1 63 63 ASN CB C 63 36.700 36.700 38.570 -1.870 18868 2992 1 9 . 1 1 63 63 ASN H H 63 7.899 7.899 7.844 0.055 18868 2993 1 9 . 1 1 64 64 LYS N N 64 114.407 114.407 117.696 -3.289 18868 2994 1 9 . 1 1 64 64 LYS C C 64 176.731 176.731 175.502 1.229 18868 2995 1 9 . 1 1 64 64 LYS CA C 64 59.500 59.500 57.127 2.373 18868 2996 1 9 . 1 1 64 64 LYS H H 64 7.485 7.485 8.430 -0.945 18868 2997 1 9 . 1 1 65 65 ASP N N 65 117.880 117.880 120.200 -2.320 18868 2998 1 9 . 1 1 65 65 ASP C C 65 177.981 177.981 176.260 1.721 18868 2999 1 9 . 1 1 65 65 ASP CA C 65 52.900 52.900 54.068 -1.168 18868 3000 1 9 . 1 1 65 65 ASP H H 65 8.184 8.184 8.278 -0.094 18868 3001 1 9 . 1 1 66 66 GLN N N 66 114.037 114.037 113.435 0.602 18868 3002 1 9 . 1 1 66 66 GLN C C 66 175.374 175.374 174.255 1.119 18868 3003 1 9 . 1 1 66 66 GLN CA C 66 57.900 57.900 57.917 -0.017 18868 3004 1 9 . 1 1 66 66 GLN CB C 66 26.200 26.200 26.681 -0.481 18868 3005 1 9 . 1 1 66 66 GLN H H 66 9.917 9.917 8.418 1.499 18868 3006 1 9 . 1 1 67 67 GLU N N 67 117.611 117.611 117.166 0.445 18868 3007 1 9 . 1 1 67 67 GLU C C 67 176.826 176.826 175.967 0.859 18868 3008 1 9 . 1 1 67 67 GLU CA C 67 54.000 54.000 54.341 -0.341 18868 3009 1 9 . 1 1 67 67 GLU CB C 67 33.100 33.100 32.710 0.390 18868 3010 1 9 . 1 1 67 67 GLU H H 67 7.800 7.800 7.719 0.081 18868 3011 1 9 . 1 1 68 68 VAL N N 68 126.064 126.064 126.128 -0.064 18868 3012 1 9 . 1 1 68 68 VAL C C 68 177.398 177.398 175.632 1.766 18868 3013 1 9 . 1 1 68 68 VAL CA C 68 61.100 61.100 61.395 -0.295 18868 3014 1 9 . 1 1 68 68 VAL CB C 68 33.300 33.300 32.057 1.243 18868 3015 1 9 . 1 1 68 68 VAL H H 68 9.656 9.656 8.860 0.796 18868 3016 1 9 . 1 1 69 69 ASN N N 69 127.002 127.002 126.450 0.552 18868 3017 1 9 . 1 1 69 69 ASN C C 69 175.438 175.438 176.145 -0.707 18868 3018 1 9 . 1 1 69 69 ASN CA C 69 51.200 51.200 52.773 -1.573 18868 3019 1 9 . 1 1 69 69 ASN H H 69 9.036 9.036 8.293 0.743 18868 3020 1 9 . 1 1 70 70 PHE N N 70 119.437 119.437 119.636 -0.199 18868 3021 1 9 . 1 1 70 70 PHE C C 70 177.652 177.652 177.292 0.360 18868 3022 1 9 . 1 1 70 70 PHE CA C 70 63.300 63.300 62.038 1.262 18868 3023 1 9 . 1 1 70 70 PHE H H 70 9.055 9.055 9.011 0.044 18868 3024 1 9 . 1 1 71 71 GLN N N 71 117.576 117.576 117.570 0.006 18868 3025 1 9 . 1 1 71 71 GLN C C 71 180.488 180.488 178.454 2.034 18868 3026 1 9 . 1 1 71 71 GLN CA C 71 60.100 60.100 59.255 0.845 18868 3027 1 9 . 1 1 71 71 GLN CB C 71 27.900 27.900 28.236 -0.336 18868 3028 1 9 . 1 1 71 71 GLN H H 71 8.273 8.273 8.516 -0.243 18868 3029 1 9 . 1 1 72 72 GLU N N 72 119.971 119.971 119.901 0.070 18868 3030 1 9 . 1 1 72 72 GLU C C 72 179.001 179.001 178.832 0.169 18868 3031 1 9 . 1 1 72 72 GLU CA C 72 58.700 58.700 58.886 -0.186 18868 3032 1 9 . 1 1 72 72 GLU H H 72 8.631 8.631 7.933 0.698 18868 3033 1 9 . 1 1 73 73 TYR N N 73 120.475 120.475 121.309 -0.834 18868 3034 1 9 . 1 1 73 73 TYR C C 73 180.040 180.040 177.254 2.786 18868 3035 1 9 . 1 1 73 73 TYR H H 73 7.721 7.721 7.693 0.028 18868 3036 1 9 . 1 1 74 74 VAL N N 74 119.604 119.604 118.933 0.671 18868 3037 1 9 . 1 1 74 74 VAL C C 74 177.821 177.821 177.819 0.002 18868 3038 1 9 . 1 1 74 74 VAL CA C 74 60.200 60.200 66.961 -6.761 18868 3039 1 9 . 1 1 74 74 VAL CB C 74 33.800 33.800 31.214 2.586 18868 3040 1 9 . 1 1 74 74 VAL H H 74 8.147 8.147 7.952 0.195 18868 3041 1 9 . 1 1 75 75 THR N N 75 124.638 124.638 117.368 7.270 18868 3042 1 9 . 1 1 75 75 THR C C 75 179.971 179.971 176.465 3.506 18868 3043 1 9 . 1 1 75 75 THR CA C 75 60.600 60.600 66.160 -5.560 18868 3044 1 9 . 1 1 75 75 THR H H 75 7.714 7.714 7.536 0.178 18868 3045 1 9 . 1 1 76 76 PHE N N 76 116.963 116.963 122.783 -5.820 18868 3046 1 9 . 1 1 76 76 PHE C C 76 177.695 177.695 176.696 0.999 18868 3047 1 9 . 1 1 76 76 PHE CA C 76 60.000 60.000 60.716 -0.716 18868 3048 1 9 . 1 1 76 76 PHE H H 76 7.864 7.864 7.507 0.357 18868 3049 1 9 . 1 1 77 77 LEU N N 77 117.568 117.568 118.575 -1.007 18868 3050 1 9 . 1 1 77 77 LEU C C 77 180.668 180.668 178.764 1.904 18868 3051 1 9 . 1 1 77 77 LEU CA C 77 57.800 57.800 57.259 0.541 18868 3052 1 9 . 1 1 77 77 LEU H H 77 7.913 7.913 7.865 0.048 18868 3053 1 9 . 1 1 78 78 GLY N N 78 104.257 104.257 106.216 -1.959 18868 3054 1 9 . 1 1 78 78 GLY C C 78 176.062 176.062 175.291 0.771 18868 3055 1 9 . 1 1 78 78 GLY CA C 78 47.600 47.600 46.990 0.610 18868 3056 1 9 . 1 1 78 78 GLY H H 78 8.057 8.057 8.445 -0.388 18868 3057 1 9 . 1 1 79 79 ALA N N 79 124.122 124.122 124.861 -0.739 18868 3058 1 9 . 1 1 79 79 ALA C C 79 182.313 182.313 179.176 3.137 18868 3059 1 9 . 1 1 79 79 ALA CA C 79 55.100 55.100 54.800 0.300 18868 3060 1 9 . 1 1 79 79 ALA H H 79 7.804 7.804 7.729 0.075 18868 3061 1 9 . 1 1 80 80 LEU N N 80 117.976 117.976 118.968 -0.992 18868 3062 1 9 . 1 1 80 80 LEU C C 80 178.389 178.389 179.017 -0.628 18868 3063 1 9 . 1 1 80 80 LEU CA C 80 57.400 57.400 57.626 -0.225 18868 3064 1 9 . 1 1 80 80 LEU H H 80 8.045 8.045 7.916 0.129 18868 3065 1 9 . 1 1 81 81 ALA N N 81 121.199 121.199 122.207 -1.008 18868 3066 1 9 . 1 1 81 81 ALA C C 81 181.617 181.617 179.696 1.921 18868 3067 1 9 . 1 1 81 81 ALA CA C 81 55.300 55.300 55.193 0.107 18868 3068 1 9 . 1 1 81 81 ALA H H 81 8.152 8.152 8.019 0.133 18868 3069 1 9 . 1 1 82 82 LEU N N 82 117.392 117.392 119.269 -1.877 18868 3070 1 9 . 1 1 82 82 LEU C C 82 180.828 180.828 179.089 1.739 18868 3071 1 9 . 1 1 82 82 LEU CA C 82 58.800 58.800 57.830 0.970 18868 3072 1 9 . 1 1 82 82 LEU H H 82 7.238 7.238 7.956 -0.718 18868 3073 1 9 . 1 1 83 83 ILE N N 83 124.342 124.342 119.938 4.404 18868 3074 1 9 . 1 1 83 83 ILE C C 83 177.495 177.495 178.031 -0.536 18868 3075 1 9 . 1 1 83 83 ILE CA C 83 60.500 60.500 65.693 -5.193 18868 3076 1 9 . 1 1 83 83 ILE H H 83 8.726 8.726 7.747 0.979 18868 3077 1 9 . 1 1 84 84 TYR N N 84 120.026 120.026 118.250 1.776 18868 3078 1 9 . 1 1 84 84 TYR C C 84 177.236 177.236 178.090 -0.854 18868 3079 1 9 . 1 1 84 84 TYR CA C 84 56.900 56.900 62.332 -5.432 18868 3080 1 9 . 1 1 84 84 TYR H H 84 8.241 8.241 8.009 0.232 18868 3081 1 9 . 1 1 85 85 ASN N N 85 117.125 117.125 117.329 -0.204 18868 3082 1 9 . 1 1 85 85 ASN C C 85 175.508 175.508 177.630 -2.122 18868 3083 1 9 . 1 1 85 85 ASN CA C 85 56.600 56.600 56.288 0.312 18868 3084 1 9 . 1 1 85 85 ASN H H 85 7.681 7.681 8.292 -0.611 18868 3085 1 9 . 1 1 86 86 GLU N N 86 119.756 119.756 120.119 -0.363 18868 3086 1 9 . 1 1 86 86 GLU C C 86 177.821 177.821 178.709 -0.888 18868 3087 1 9 . 1 1 86 86 GLU H H 86 8.790 8.790 8.335 0.455 18868 3088 1 9 . 1 1 87 87 ALA N N 87 112.780 112.780 122.289 -9.509 18868 3089 1 9 . 1 1 87 87 ALA H H 87 8.241 8.241 7.556 0.685 18868 3090 1 9 . 1 1 88 88 LEU N N 88 118.627 118.627 117.177 1.450 18868 3091 1 9 . 1 1 88 88 LEU CA C 88 57.900 57.900 56.739 1.161 18868 3092 1 9 . 1 1 88 88 LEU H H 88 8.384 8.384 7.565 0.819 18868 3093 1 9 . 1 1 89 89 LYS N N 89 118.552 118.552 117.248 1.304 18868 3094 1 9 . 1 1 89 89 LYS C C 89 177.332 177.332 177.368 -0.036 18868 3095 1 9 . 1 1 89 89 LYS CA C 89 56.900 56.900 57.238 -0.338 18868 3096 1 9 . 1 1 89 89 LYS H H 89 7.854 7.854 7.498 0.356 18868 3097 1 10 . 1 1 3 3 SER N N 3 118.627 118.627 116.904 1.723 18868 3098 1 10 . 1 1 3 3 SER H H 3 8.384 8.384 8.582 -0.198 18868 3099 1 10 . 1 1 4 4 PRO C C 4 180.814 180.814 178.839 1.975 18868 3100 1 10 . 1 1 4 4 PRO CA C 4 66.500 66.500 66.003 0.497 18868 3101 1 10 . 1 1 5 5 LEU N N 5 119.501 119.501 117.794 1.707 18868 3102 1 10 . 1 1 5 5 LEU C C 5 179.272 179.272 178.422 0.850 18868 3103 1 10 . 1 1 5 5 LEU CA C 5 58.600 58.600 58.292 0.307 18868 3104 1 10 . 1 1 5 5 LEU H H 5 9.386 9.386 8.051 1.335 18868 3105 1 10 . 1 1 6 6 ASP N N 6 119.191 119.191 118.887 0.304 18868 3106 1 10 . 1 1 6 6 ASP C C 6 182.313 182.313 178.915 3.398 18868 3107 1 10 . 1 1 6 6 ASP CA C 6 58.000 58.000 57.947 0.053 18868 3108 1 10 . 1 1 6 6 ASP H H 6 7.912 7.912 8.044 -0.132 18868 3109 1 10 . 1 1 7 7 GLN N N 7 117.979 117.979 118.830 -0.851 18868 3110 1 10 . 1 1 7 7 GLN C C 7 179.998 179.998 178.437 1.561 18868 3111 1 10 . 1 1 7 7 GLN CA C 7 58.900 58.900 58.485 0.415 18868 3112 1 10 . 1 1 7 7 GLN H H 7 8.065 8.065 8.316 -0.251 18868 3113 1 10 . 1 1 8 8 ALA N N 8 124.008 124.008 123.516 0.492 18868 3114 1 10 . 1 1 8 8 ALA CA C 8 55.500 55.500 55.270 0.230 18868 3115 1 10 . 1 1 8 8 ALA H H 8 8.159 8.159 8.030 0.129 18868 3116 1 10 . 1 1 9 9 ILE C C 9 179.258 179.258 178.434 0.824 18868 3117 1 10 . 1 1 9 9 ILE CA C 9 64.900 64.900 63.121 1.778 18868 3118 1 10 . 1 1 10 10 GLY N N 10 105.447 105.447 108.358 -2.911 18868 3119 1 10 . 1 1 10 10 GLY C C 10 177.984 177.984 176.139 1.845 18868 3120 1 10 . 1 1 10 10 GLY CA C 10 47.300 47.300 47.145 0.154 18868 3121 1 10 . 1 1 10 10 GLY H H 10 8.062 8.062 8.349 -0.287 18868 3122 1 10 . 1 1 11 11 LEU N N 11 124.755 124.755 123.022 1.733 18868 3123 1 10 . 1 1 11 11 LEU C C 11 178.346 178.346 178.543 -0.197 18868 3124 1 10 . 1 1 11 11 LEU CA C 11 58.000 58.000 57.705 0.295 18868 3125 1 10 . 1 1 11 11 LEU H H 11 8.067 8.067 8.082 -0.015 18868 3126 1 10 . 1 1 12 12 LEU N N 12 121.609 121.609 118.995 2.614 18868 3127 1 10 . 1 1 12 12 LEU C C 12 182.560 182.560 179.746 2.814 18868 3128 1 10 . 1 1 12 12 LEU CA C 12 59.000 59.000 58.006 0.994 18868 3129 1 10 . 1 1 12 12 LEU H H 12 7.997 7.997 7.988 0.009 18868 3130 1 10 . 1 1 13 13 VAL N N 13 119.951 119.951 119.369 0.582 18868 3131 1 10 . 1 1 13 13 VAL C C 13 178.016 178.016 178.147 -0.131 18868 3132 1 10 . 1 1 13 13 VAL CA C 13 67.100 67.100 65.448 1.653 18868 3133 1 10 . 1 1 13 13 VAL H H 13 8.087 8.087 8.352 -0.265 18868 3134 1 10 . 1 1 14 14 ALA N N 14 122.867 122.867 123.269 -0.402 18868 3135 1 10 . 1 1 14 14 ALA C C 14 175.380 175.380 180.075 -4.695 18868 3136 1 10 . 1 1 14 14 ALA CA C 14 55.600 55.600 55.419 0.180 18868 3137 1 10 . 1 1 14 14 ALA H H 14 8.363 8.363 8.054 0.309 18868 3138 1 10 . 1 1 15 15 ILE N N 15 118.496 118.496 119.104 -0.608 18868 3139 1 10 . 1 1 15 15 ILE C C 15 178.058 178.058 177.634 0.424 18868 3140 1 10 . 1 1 15 15 ILE CA C 15 64.800 64.800 65.333 -0.533 18868 3141 1 10 . 1 1 15 15 ILE H H 15 8.787 8.787 7.999 0.788 18868 3142 1 10 . 1 1 16 16 PHE N N 16 119.259 119.259 120.257 -0.998 18868 3143 1 10 . 1 1 16 16 PHE H H 16 7.171 7.171 7.621 -0.450 18868 3144 1 10 . 1 1 17 17 HIS C C 17 178.660 178.660 178.049 0.611 18868 3145 1 10 . 1 1 17 17 HIS CA C 17 54.800 54.800 59.015 -4.215 18868 3146 1 10 . 1 1 17 17 HIS CB C 17 30.000 30.000 29.605 0.395 18868 3147 1 10 . 1 1 18 18 LYS N N 18 122.924 122.924 120.428 2.496 18868 3148 1 10 . 1 1 18 18 LYS C C 18 180.221 180.221 178.338 1.883 18868 3149 1 10 . 1 1 18 18 LYS CA C 18 58.800 58.800 59.381 -0.581 18868 3150 1 10 . 1 1 18 18 LYS CB C 18 40.200 40.200 32.424 7.776 18868 3151 1 10 . 1 1 18 18 LYS H H 18 8.880 8.880 8.000 0.880 18868 3152 1 10 . 1 1 19 19 TYR N N 19 120.227 120.227 115.619 4.608 18868 3153 1 10 . 1 1 19 19 TYR C C 19 178.435 178.435 177.779 0.656 18868 3154 1 10 . 1 1 19 19 TYR CA C 19 55.300 55.300 59.860 -4.560 18868 3155 1 10 . 1 1 19 19 TYR H H 19 8.879 8.879 7.723 1.156 18868 3156 1 10 . 1 1 20 20 SER N N 20 119.760 119.760 116.778 2.982 18868 3157 1 10 . 1 1 20 20 SER C C 20 178.376 178.376 176.508 1.868 18868 3158 1 10 . 1 1 20 20 SER CA C 20 56.900 56.900 60.609 -3.709 18868 3159 1 10 . 1 1 20 20 SER CB C 20 61.700 61.700 62.403 -0.703 18868 3160 1 10 . 1 1 20 20 SER H H 20 7.557 7.557 8.047 -0.490 18868 3161 1 10 . 1 1 21 21 GLY N N 21 111.202 111.202 108.008 3.194 18868 3162 1 10 . 1 1 21 21 GLY C C 21 174.862 174.862 175.089 -0.227 18868 3163 1 10 . 1 1 21 21 GLY CA C 21 45.600 45.600 44.820 0.780 18868 3164 1 10 . 1 1 21 21 GLY H H 21 7.696 7.696 7.525 0.171 18868 3165 1 10 . 1 1 22 22 ARG N N 22 122.200 122.200 119.431 2.769 18868 3166 1 10 . 1 1 22 22 ARG C C 22 178.336 178.336 176.872 1.464 18868 3167 1 10 . 1 1 22 22 ARG CA C 22 59.500 59.500 57.733 1.767 18868 3168 1 10 . 1 1 22 22 ARG CB C 22 30.500 30.500 30.845 -0.345 18868 3169 1 10 . 1 1 22 22 ARG H H 22 7.311 7.311 7.653 -0.342 18868 3170 1 10 . 1 1 23 23 GLU N N 23 115.984 115.984 115.895 0.089 18868 3171 1 10 . 1 1 23 23 GLU C C 23 177.129 177.129 176.071 1.058 18868 3172 1 10 . 1 1 23 23 GLU CA C 23 54.300 54.300 55.302 -1.002 18868 3173 1 10 . 1 1 23 23 GLU CB C 23 33.200 33.200 32.245 0.955 18868 3174 1 10 . 1 1 23 23 GLU H H 23 9.488 9.488 8.397 1.091 18868 3175 1 10 . 1 1 24 24 GLY N N 24 114.031 114.031 110.946 3.085 18868 3176 1 10 . 1 1 24 24 GLY C C 24 174.499 174.499 174.007 0.492 18868 3177 1 10 . 1 1 24 24 GLY CA C 24 45.900 45.900 45.338 0.562 18868 3178 1 10 . 1 1 24 24 GLY H H 24 9.048 9.048 8.464 0.584 18868 3179 1 10 . 1 1 25 25 ASP N N 25 125.634 125.634 121.167 4.467 18868 3180 1 10 . 1 1 25 25 ASP C C 25 177.998 177.998 177.650 0.348 18868 3181 1 10 . 1 1 25 25 ASP CA C 25 55.000 55.000 53.863 1.137 18868 3182 1 10 . 1 1 25 25 ASP H H 25 8.249 8.249 8.431 -0.182 18868 3183 1 10 . 1 1 26 26 LYS N N 26 121.469 121.469 125.565 -4.096 18868 3184 1 10 . 1 1 26 26 LYS CA C 26 57.600 57.600 58.081 -0.481 18868 3185 1 10 . 1 1 26 26 LYS CB C 26 37.800 37.800 32.506 5.294 18868 3186 1 10 . 1 1 26 26 LYS H H 26 9.043 9.043 8.538 0.505 18868 3187 1 10 . 1 1 27 27 HIS N N 27 112.780 112.780 113.249 -0.469 18868 3188 1 10 . 1 1 27 27 HIS C C 27 175.067 175.067 174.129 0.938 18868 3189 1 10 . 1 1 27 27 HIS CA C 27 55.300 55.300 54.797 0.503 18868 3190 1 10 . 1 1 27 27 HIS CB C 27 30.300 30.300 30.948 -0.648 18868 3191 1 10 . 1 1 27 27 HIS H H 27 8.241 8.241 7.951 0.290 18868 3192 1 10 . 1 1 28 28 THR N N 28 106.447 106.447 110.248 -3.801 18868 3193 1 10 . 1 1 28 28 THR C C 28 174.469 174.469 173.262 1.207 18868 3194 1 10 . 1 1 28 28 THR CA C 28 60.000 60.000 60.215 -0.215 18868 3195 1 10 . 1 1 28 28 THR H H 28 7.248 7.248 7.412 -0.164 18868 3196 1 10 . 1 1 29 29 LEU N N 29 125.037 125.037 124.514 0.523 18868 3197 1 10 . 1 1 29 29 LEU C C 29 180.751 180.751 177.196 3.555 18868 3198 1 10 . 1 1 29 29 LEU CA C 29 55.200 55.200 53.499 1.701 18868 3199 1 10 . 1 1 29 29 LEU CB C 29 41.800 41.800 42.878 -1.078 18868 3200 1 10 . 1 1 29 29 LEU H H 29 9.421 9.421 8.519 0.902 18868 3201 1 10 . 1 1 30 30 SER N N 30 131.373 131.373 120.890 10.483 18868 3202 1 10 . 1 1 30 30 SER C C 30 177.946 177.946 175.937 2.009 18868 3203 1 10 . 1 1 30 30 SER CA C 30 57.900 57.900 58.188 -0.288 18868 3204 1 10 . 1 1 30 30 SER H H 30 9.312 9.312 9.475 -0.163 18868 3205 1 10 . 1 1 31 31 LYS N N 31 117.689 117.689 121.456 -3.767 18868 3206 1 10 . 1 1 31 31 LYS CA C 31 57.800 57.800 59.577 -1.777 18868 3207 1 10 . 1 1 31 31 LYS H H 31 9.659 9.659 8.880 0.779 18868 3208 1 10 . 1 1 32 32 LYS C C 32 180.677 180.677 178.854 1.823 18868 3209 1 10 . 1 1 32 32 LYS CA C 32 59.800 59.800 59.533 0.267 18868 3210 1 10 . 1 1 33 33 GLU N N 33 120.336 120.336 120.015 0.321 18868 3211 1 10 . 1 1 33 33 GLU C C 33 179.654 179.654 179.212 0.442 18868 3212 1 10 . 1 1 33 33 GLU CA C 33 59.300 59.300 59.219 0.081 18868 3213 1 10 . 1 1 33 33 GLU H H 33 7.608 7.608 7.933 -0.325 18868 3214 1 10 . 1 1 34 34 LEU N N 34 117.303 117.303 120.631 -3.328 18868 3215 1 10 . 1 1 34 34 LEU C C 34 179.420 179.420 177.924 1.496 18868 3216 1 10 . 1 1 34 34 LEU CA C 34 58.200 58.200 57.693 0.507 18868 3217 1 10 . 1 1 34 34 LEU H H 34 7.659 7.659 8.457 -0.798 18868 3218 1 10 . 1 1 35 35 LYS N N 35 116.520 116.520 119.524 -3.004 18868 3219 1 10 . 1 1 35 35 LYS CA C 35 60.700 60.700 60.045 0.655 18868 3220 1 10 . 1 1 35 35 LYS CB C 35 32.000 32.000 32.125 -0.125 18868 3221 1 10 . 1 1 35 35 LYS H H 35 7.731 7.731 7.892 -0.161 18868 3222 1 10 . 1 1 36 36 GLU N N 36 118.365 118.365 120.354 -1.989 18868 3223 1 10 . 1 1 36 36 GLU C C 36 177.868 177.868 178.579 -0.711 18868 3224 1 10 . 1 1 36 36 GLU CA C 36 59.700 59.700 59.198 0.502 18868 3225 1 10 . 1 1 36 36 GLU CB C 36 29.300 29.300 29.589 -0.289 18868 3226 1 10 . 1 1 36 36 GLU H H 36 7.871 7.871 7.772 0.099 18868 3227 1 10 . 1 1 37 37 LEU N N 37 121.068 121.068 120.421 0.647 18868 3228 1 10 . 1 1 37 37 LEU C C 37 176.731 176.731 178.545 -1.814 18868 3229 1 10 . 1 1 37 37 LEU CA C 37 59.500 59.500 57.676 1.824 18868 3230 1 10 . 1 1 37 37 LEU CB C 37 42.700 42.700 41.770 0.930 18868 3231 1 10 . 1 1 37 37 LEU H H 37 7.513 7.513 7.809 -0.296 18868 3232 1 10 . 1 1 38 38 ILE N N 38 117.867 117.867 118.420 -0.553 18868 3233 1 10 . 1 1 38 38 ILE C C 38 178.658 178.658 178.661 -0.003 18868 3234 1 10 . 1 1 38 38 ILE CA C 38 65.300 65.300 65.287 0.014 18868 3235 1 10 . 1 1 38 38 ILE H H 38 8.206 8.206 7.970 0.236 18868 3236 1 10 . 1 1 39 39 GLN N N 39 114.147 114.147 117.844 -3.697 18868 3237 1 10 . 1 1 39 39 GLN C C 39 180.003 180.003 177.784 2.219 18868 3238 1 10 . 1 1 39 39 GLN CA C 39 59.500 59.500 58.696 0.804 18868 3239 1 10 . 1 1 39 39 GLN H H 39 8.238 8.238 8.240 -0.002 18868 3240 1 10 . 1 1 40 40 LYS N N 40 115.051 115.051 117.008 -1.957 18868 3241 1 10 . 1 1 40 40 LYS C C 40 180.483 180.483 178.027 2.456 18868 3242 1 10 . 1 1 40 40 LYS CA C 40 57.500 57.500 57.617 -0.117 18868 3243 1 10 . 1 1 40 40 LYS H H 40 8.298 8.298 7.711 0.587 18868 3244 1 10 . 1 1 41 41 GLU N N 41 112.448 112.448 116.392 -3.944 18868 3245 1 10 . 1 1 41 41 GLU C C 41 178.252 178.252 176.455 1.797 18868 3246 1 10 . 1 1 41 41 GLU CA C 41 55.700 55.700 55.810 -0.110 18868 3247 1 10 . 1 1 41 41 GLU H H 41 8.328 8.328 8.152 0.176 18868 3248 1 10 . 1 1 42 42 LEU N N 42 118.693 118.693 122.599 -3.906 18868 3249 1 10 . 1 1 42 42 LEU C C 42 179.377 179.377 178.071 1.306 18868 3250 1 10 . 1 1 42 42 LEU CA C 42 53.300 53.300 54.237 -0.937 18868 3251 1 10 . 1 1 42 42 LEU H H 42 7.361 7.361 7.776 -0.415 18868 3252 1 10 . 1 1 43 43 THR N N 43 125.535 125.535 123.058 2.477 18868 3253 1 10 . 1 1 43 43 THR C C 43 180.403 180.403 175.732 4.671 18868 3254 1 10 . 1 1 43 43 THR CA C 43 67.300 67.300 66.464 0.836 18868 3255 1 10 . 1 1 43 43 THR H H 43 9.926 9.926 8.839 1.087 18868 3256 1 10 . 1 1 44 44 ILE N N 44 116.467 116.467 119.456 -2.989 18868 3257 1 10 . 1 1 44 44 ILE C C 44 178.107 178.107 177.069 1.038 18868 3258 1 10 . 1 1 44 44 ILE CA C 44 62.400 62.400 59.564 2.836 18868 3259 1 10 . 1 1 44 44 ILE CB C 44 38.300 38.300 37.764 0.536 18868 3260 1 10 . 1 1 44 44 ILE H H 44 8.214 8.214 7.956 0.258 18868 3261 1 10 . 1 1 45 45 GLY N N 45 108.241 108.241 110.119 -1.878 18868 3262 1 10 . 1 1 45 45 GLY C C 45 176.355 176.355 176.171 0.184 18868 3263 1 10 . 1 1 45 45 GLY CA C 45 47.400 47.400 47.765 -0.365 18868 3264 1 10 . 1 1 45 45 GLY H H 45 7.750 7.750 8.349 -0.599 18868 3265 1 10 . 1 1 46 46 SER N N 46 113.635 113.635 114.461 -0.826 18868 3266 1 10 . 1 1 46 46 SER C C 46 176.007 176.007 175.456 0.551 18868 3267 1 10 . 1 1 46 46 SER CA C 46 60.100 60.100 60.388 -0.288 18868 3268 1 10 . 1 1 46 46 SER H H 46 7.847 7.847 8.338 -0.491 18868 3269 1 10 . 1 1 47 47 LYS N N 47 119.437 119.437 119.577 -0.140 18868 3270 1 10 . 1 1 47 47 LYS C C 47 178.100 178.100 176.760 1.340 18868 3271 1 10 . 1 1 47 47 LYS CA C 47 56.000 56.000 56.041 -0.041 18868 3272 1 10 . 1 1 47 47 LYS CB C 47 33.400 33.400 33.339 0.061 18868 3273 1 10 . 1 1 47 47 LYS H H 47 7.709 7.709 7.580 0.129 18868 3274 1 10 . 1 1 48 48 LEU N N 48 120.169 120.169 121.674 -1.505 18868 3275 1 10 . 1 1 48 48 LEU C C 48 178.009 178.009 176.911 1.098 18868 3276 1 10 . 1 1 48 48 LEU CA C 48 55.000 55.000 54.914 0.086 18868 3277 1 10 . 1 1 48 48 LEU H H 48 7.139 7.139 7.433 -0.294 18868 3278 1 10 . 1 1 49 49 GLN N N 49 121.739 121.739 121.283 0.456 18868 3279 1 10 . 1 1 49 49 GLN C C 49 179.051 179.051 176.632 2.419 18868 3280 1 10 . 1 1 49 49 GLN CA C 49 55.800 55.800 56.026 -0.226 18868 3281 1 10 . 1 1 49 49 GLN H H 49 7.917 7.917 8.353 -0.436 18868 3282 1 10 . 1 1 50 50 ASP N N 50 119.121 119.121 123.268 -4.147 18868 3283 1 10 . 1 1 50 50 ASP C C 50 178.335 178.335 178.106 0.229 18868 3284 1 10 . 1 1 50 50 ASP CA C 50 59.300 59.300 57.702 1.598 18868 3285 1 10 . 1 1 50 50 ASP H H 50 7.597 7.597 8.880 -1.283 18868 3286 1 10 . 1 1 51 51 ALA N N 51 116.624 116.624 121.844 -5.220 18868 3287 1 10 . 1 1 51 51 ALA C C 51 181.587 181.587 179.839 1.748 18868 3288 1 10 . 1 1 51 51 ALA CA C 51 57.700 57.700 55.026 2.674 18868 3289 1 10 . 1 1 51 51 ALA H H 51 7.560 7.560 8.355 -0.795 18868 3290 1 10 . 1 1 52 52 GLU N N 52 118.931 118.931 118.742 0.189 18868 3291 1 10 . 1 1 52 52 GLU C C 52 180.495 180.495 179.049 1.446 18868 3292 1 10 . 1 1 52 52 GLU CA C 52 58.900 58.900 58.602 0.298 18868 3293 1 10 . 1 1 52 52 GLU H H 52 8.511 8.511 7.512 0.999 18868 3294 1 10 . 1 1 53 53 ILE N N 53 120.400 120.400 120.708 -0.308 18868 3295 1 10 . 1 1 53 53 ILE CA C 53 59.000 59.000 65.300 -6.300 18868 3296 1 10 . 1 1 53 53 ILE H H 53 7.905 7.905 8.109 -0.204 18868 3297 1 10 . 1 1 54 54 ALA C C 54 181.477 181.477 179.282 2.195 18868 3298 1 10 . 1 1 54 54 ALA CA C 54 55.600 55.600 55.318 0.282 18868 3299 1 10 . 1 1 55 55 ARG N N 55 118.315 118.315 119.127 -0.812 18868 3300 1 10 . 1 1 55 55 ARG C C 55 179.468 179.468 178.156 1.312 18868 3301 1 10 . 1 1 55 55 ARG CA C 55 59.100 59.100 59.175 -0.075 18868 3302 1 10 . 1 1 55 55 ARG H H 55 7.448 7.448 7.838 -0.390 18868 3303 1 10 . 1 1 56 56 LEU N N 56 120.310 120.310 121.710 -1.400 18868 3304 1 10 . 1 1 56 56 LEU C C 56 179.984 179.984 178.524 1.460 18868 3305 1 10 . 1 1 56 56 LEU CA C 56 58.000 58.000 58.084 -0.084 18868 3306 1 10 . 1 1 56 56 LEU H H 56 7.672 7.672 8.282 -0.610 18868 3307 1 10 . 1 1 57 57 MET N N 57 115.780 115.780 116.651 -0.871 18868 3308 1 10 . 1 1 57 57 MET C C 57 179.083 179.083 178.578 0.505 18868 3309 1 10 . 1 1 57 57 MET H H 57 8.354 8.354 8.344 0.010 18868 3310 1 10 . 1 1 58 58 GLU N N 58 117.826 117.826 120.665 -2.839 18868 3311 1 10 . 1 1 58 58 GLU C C 58 179.161 179.161 178.950 0.211 18868 3312 1 10 . 1 1 58 58 GLU CA C 58 59.300 59.300 59.460 -0.160 18868 3313 1 10 . 1 1 58 58 GLU CB C 58 31.100 31.100 29.272 1.828 18868 3314 1 10 . 1 1 58 58 GLU H H 58 7.620 7.620 8.094 -0.474 18868 3315 1 10 . 1 1 59 59 ASP N N 59 117.801 117.801 119.798 -1.997 18868 3316 1 10 . 1 1 59 59 ASP CA C 59 57.200 57.200 57.029 0.171 18868 3317 1 10 . 1 1 59 59 ASP H H 59 8.693 8.693 8.130 0.563 18868 3318 1 10 . 1 1 60 60 LEU N N 60 117.370 117.370 118.873 -1.503 18868 3319 1 10 . 1 1 60 60 LEU C C 60 179.216 179.216 177.544 1.672 18868 3320 1 10 . 1 1 60 60 LEU CA C 60 56.200 56.200 57.209 -1.009 18868 3321 1 10 . 1 1 60 60 LEU H H 60 8.159 8.159 7.833 0.326 18868 3322 1 10 . 1 1 61 61 ASP N N 61 117.835 117.835 116.603 1.232 18868 3323 1 10 . 1 1 61 61 ASP C C 61 178.473 178.473 176.522 1.951 18868 3324 1 10 . 1 1 61 61 ASP CA C 61 52.800 52.800 53.560 -0.761 18868 3325 1 10 . 1 1 61 61 ASP CB C 61 39.100 39.100 40.561 -1.461 18868 3326 1 10 . 1 1 61 61 ASP H H 61 7.559 7.559 7.697 -0.138 18868 3327 1 10 . 1 1 62 62 ARG N N 62 125.783 125.783 126.410 -0.627 18868 3328 1 10 . 1 1 62 62 ARG C C 62 178.519 178.519 177.798 0.721 18868 3329 1 10 . 1 1 62 62 ARG CA C 62 58.500 58.500 57.498 1.002 18868 3330 1 10 . 1 1 62 62 ARG CB C 62 30.200 30.200 30.203 -0.003 18868 3331 1 10 . 1 1 62 62 ARG H H 62 7.839 7.839 8.422 -0.583 18868 3332 1 10 . 1 1 63 63 ASN N N 63 112.348 112.348 116.568 -4.220 18868 3333 1 10 . 1 1 63 63 ASN C C 63 175.597 175.597 175.086 0.511 18868 3334 1 10 . 1 1 63 63 ASN CA C 63 51.900 51.900 53.226 -1.326 18868 3335 1 10 . 1 1 63 63 ASN CB C 63 36.700 36.700 38.352 -1.652 18868 3336 1 10 . 1 1 63 63 ASN H H 63 7.899 7.899 7.945 -0.046 18868 3337 1 10 . 1 1 64 64 LYS N N 64 114.407 114.407 116.468 -2.061 18868 3338 1 10 . 1 1 64 64 LYS C C 64 176.731 176.731 175.487 1.244 18868 3339 1 10 . 1 1 64 64 LYS CA C 64 59.500 59.500 57.032 2.468 18868 3340 1 10 . 1 1 64 64 LYS H H 64 7.485 7.485 8.410 -0.925 18868 3341 1 10 . 1 1 65 65 ASP N N 65 117.880 117.880 118.304 -0.424 18868 3342 1 10 . 1 1 65 65 ASP C C 65 177.981 177.981 176.367 1.614 18868 3343 1 10 . 1 1 65 65 ASP CA C 65 52.900 52.900 53.974 -1.074 18868 3344 1 10 . 1 1 65 65 ASP H H 65 8.184 8.184 8.323 -0.139 18868 3345 1 10 . 1 1 66 66 GLN N N 66 114.037 114.037 113.405 0.632 18868 3346 1 10 . 1 1 66 66 GLN C C 66 175.374 175.374 174.136 1.238 18868 3347 1 10 . 1 1 66 66 GLN CA C 66 57.900 57.900 57.850 0.050 18868 3348 1 10 . 1 1 66 66 GLN CB C 66 26.200 26.200 26.524 -0.324 18868 3349 1 10 . 1 1 66 66 GLN H H 66 9.917 9.917 8.234 1.683 18868 3350 1 10 . 1 1 67 67 GLU N N 67 117.611 117.611 117.201 0.410 18868 3351 1 10 . 1 1 67 67 GLU C C 67 176.826 176.826 175.991 0.835 18868 3352 1 10 . 1 1 67 67 GLU CA C 67 54.000 54.000 54.448 -0.448 18868 3353 1 10 . 1 1 67 67 GLU CB C 67 33.100 33.100 32.539 0.561 18868 3354 1 10 . 1 1 67 67 GLU H H 67 7.800 7.800 7.973 -0.173 18868 3355 1 10 . 1 1 68 68 VAL N N 68 126.064 126.064 126.700 -0.636 18868 3356 1 10 . 1 1 68 68 VAL C C 68 177.398 177.398 175.834 1.564 18868 3357 1 10 . 1 1 68 68 VAL CA C 68 61.100 61.100 61.832 -0.732 18868 3358 1 10 . 1 1 68 68 VAL CB C 68 33.300 33.300 31.790 1.510 18868 3359 1 10 . 1 1 68 68 VAL H H 68 9.656 9.656 8.816 0.840 18868 3360 1 10 . 1 1 69 69 ASN N N 69 127.002 127.002 126.094 0.908 18868 3361 1 10 . 1 1 69 69 ASN C C 69 175.438 175.438 176.161 -0.723 18868 3362 1 10 . 1 1 69 69 ASN CA C 69 51.200 51.200 52.675 -1.474 18868 3363 1 10 . 1 1 69 69 ASN H H 69 9.036 9.036 7.946 1.090 18868 3364 1 10 . 1 1 70 70 PHE N N 70 119.437 119.437 119.414 0.023 18868 3365 1 10 . 1 1 70 70 PHE C C 70 177.652 177.652 177.259 0.393 18868 3366 1 10 . 1 1 70 70 PHE CA C 70 63.300 63.300 61.968 1.333 18868 3367 1 10 . 1 1 70 70 PHE H H 70 9.055 9.055 8.949 0.106 18868 3368 1 10 . 1 1 71 71 GLN N N 71 117.576 117.576 117.373 0.203 18868 3369 1 10 . 1 1 71 71 GLN C C 71 180.488 180.488 178.529 1.959 18868 3370 1 10 . 1 1 71 71 GLN CA C 71 60.100 60.100 59.216 0.884 18868 3371 1 10 . 1 1 71 71 GLN CB C 71 27.900 27.900 28.314 -0.414 18868 3372 1 10 . 1 1 71 71 GLN H H 71 8.273 8.273 8.332 -0.059 18868 3373 1 10 . 1 1 72 72 GLU N N 72 119.971 119.971 119.750 0.221 18868 3374 1 10 . 1 1 72 72 GLU C C 72 179.001 179.001 178.765 0.236 18868 3375 1 10 . 1 1 72 72 GLU CA C 72 58.700 58.700 58.581 0.119 18868 3376 1 10 . 1 1 72 72 GLU H H 72 8.631 8.631 7.894 0.737 18868 3377 1 10 . 1 1 73 73 TYR N N 73 120.475 120.475 121.623 -1.148 18868 3378 1 10 . 1 1 73 73 TYR C C 73 180.040 180.040 177.248 2.792 18868 3379 1 10 . 1 1 73 73 TYR H H 73 7.721 7.721 7.936 -0.215 18868 3380 1 10 . 1 1 74 74 VAL N N 74 119.604 119.604 118.672 0.932 18868 3381 1 10 . 1 1 74 74 VAL C C 74 177.821 177.821 177.769 0.052 18868 3382 1 10 . 1 1 74 74 VAL CA C 74 60.200 60.200 66.939 -6.739 18868 3383 1 10 . 1 1 74 74 VAL CB C 74 33.800 33.800 31.186 2.614 18868 3384 1 10 . 1 1 74 74 VAL H H 74 8.147 8.147 7.920 0.227 18868 3385 1 10 . 1 1 75 75 THR N N 75 124.638 124.638 117.285 7.353 18868 3386 1 10 . 1 1 75 75 THR C C 75 179.971 179.971 176.419 3.552 18868 3387 1 10 . 1 1 75 75 THR CA C 75 60.600 60.600 66.314 -5.714 18868 3388 1 10 . 1 1 75 75 THR H H 75 7.714 7.714 7.412 0.302 18868 3389 1 10 . 1 1 76 76 PHE N N 76 116.963 116.963 122.574 -5.611 18868 3390 1 10 . 1 1 76 76 PHE C C 76 177.695 177.695 176.693 1.002 18868 3391 1 10 . 1 1 76 76 PHE CA C 76 60.000 60.000 60.736 -0.736 18868 3392 1 10 . 1 1 76 76 PHE H H 76 7.864 7.864 7.434 0.430 18868 3393 1 10 . 1 1 77 77 LEU N N 77 117.568 117.568 118.751 -1.183 18868 3394 1 10 . 1 1 77 77 LEU C C 77 180.668 180.668 178.763 1.905 18868 3395 1 10 . 1 1 77 77 LEU CA C 77 57.800 57.800 57.251 0.549 18868 3396 1 10 . 1 1 77 77 LEU H H 77 7.913 7.913 7.588 0.325 18868 3397 1 10 . 1 1 78 78 GLY N N 78 104.257 104.257 106.282 -2.025 18868 3398 1 10 . 1 1 78 78 GLY C C 78 176.062 176.062 175.311 0.751 18868 3399 1 10 . 1 1 78 78 GLY CA C 78 47.600 47.600 47.004 0.596 18868 3400 1 10 . 1 1 78 78 GLY H H 78 8.057 8.057 8.556 -0.499 18868 3401 1 10 . 1 1 79 79 ALA N N 79 124.122 124.122 124.858 -0.736 18868 3402 1 10 . 1 1 79 79 ALA C C 79 182.313 182.313 179.178 3.135 18868 3403 1 10 . 1 1 79 79 ALA CA C 79 55.100 55.100 54.808 0.292 18868 3404 1 10 . 1 1 79 79 ALA H H 79 7.804 7.804 7.781 0.023 18868 3405 1 10 . 1 1 80 80 LEU N N 80 117.976 117.976 118.966 -0.990 18868 3406 1 10 . 1 1 80 80 LEU C C 80 178.389 178.389 179.016 -0.627 18868 3407 1 10 . 1 1 80 80 LEU CA C 80 57.400 57.400 57.626 -0.226 18868 3408 1 10 . 1 1 80 80 LEU H H 80 8.045 8.045 7.914 0.131 18868 3409 1 10 . 1 1 81 81 ALA N N 81 121.199 121.199 122.208 -1.009 18868 3410 1 10 . 1 1 81 81 ALA C C 81 181.617 181.617 179.697 1.920 18868 3411 1 10 . 1 1 81 81 ALA CA C 81 55.300 55.300 55.193 0.107 18868 3412 1 10 . 1 1 81 81 ALA H H 81 8.152 8.152 8.018 0.134 18868 3413 1 10 . 1 1 82 82 LEU N N 82 117.392 117.392 119.270 -1.878 18868 3414 1 10 . 1 1 82 82 LEU C C 82 180.828 180.828 179.087 1.741 18868 3415 1 10 . 1 1 82 82 LEU CA C 82 58.800 58.800 57.827 0.973 18868 3416 1 10 . 1 1 82 82 LEU H H 82 7.238 7.238 7.955 -0.717 18868 3417 1 10 . 1 1 83 83 ILE N N 83 124.342 124.342 119.942 4.400 18868 3418 1 10 . 1 1 83 83 ILE C C 83 177.495 177.495 178.030 -0.535 18868 3419 1 10 . 1 1 83 83 ILE CA C 83 60.500 60.500 65.695 -5.195 18868 3420 1 10 . 1 1 83 83 ILE H H 83 8.726 8.726 7.747 0.979 18868 3421 1 10 . 1 1 84 84 TYR N N 84 120.026 120.026 118.247 1.779 18868 3422 1 10 . 1 1 84 84 TYR C C 84 177.236 177.236 178.090 -0.854 18868 3423 1 10 . 1 1 84 84 TYR CA C 84 56.900 56.900 62.331 -5.431 18868 3424 1 10 . 1 1 84 84 TYR H H 84 8.241 8.241 8.009 0.232 18868 3425 1 10 . 1 1 85 85 ASN N N 85 117.125 117.125 117.337 -0.212 18868 3426 1 10 . 1 1 85 85 ASN C C 85 175.508 175.508 177.636 -2.128 18868 3427 1 10 . 1 1 85 85 ASN CA C 85 56.600 56.600 56.285 0.315 18868 3428 1 10 . 1 1 85 85 ASN H H 85 7.681 7.681 8.288 -0.607 18868 3429 1 10 . 1 1 86 86 GLU N N 86 119.756 119.756 120.258 -0.502 18868 3430 1 10 . 1 1 86 86 GLU C C 86 177.821 177.821 178.644 -0.823 18868 3431 1 10 . 1 1 86 86 GLU H H 86 8.790 8.790 8.347 0.443 18868 3432 1 10 . 1 1 87 87 ALA N N 87 112.780 112.780 122.470 -9.690 18868 3433 1 10 . 1 1 87 87 ALA H H 87 8.241 8.241 7.669 0.572 18868 3434 1 10 . 1 1 88 88 LEU N N 88 118.627 118.627 117.286 1.341 18868 3435 1 10 . 1 1 88 88 LEU CA C 88 57.900 57.900 56.757 1.143 18868 3436 1 10 . 1 1 88 88 LEU H H 88 8.384 8.384 7.605 0.779 18868 3437 1 10 . 1 1 89 89 LYS N N 89 118.552 118.552 118.165 0.387 18868 3438 1 10 . 1 1 89 89 LYS C C 89 177.332 177.332 177.601 -0.269 18868 3439 1 10 . 1 1 89 89 LYS CA C 89 56.900 56.900 57.372 -0.472 18868 3440 1 10 . 1 1 89 89 LYS H H 89 7.854 7.854 7.467 0.387 18868 3441 1 11 . 1 1 3 3 SER N N 3 118.627 118.627 118.065 0.562 18868 3442 1 11 . 1 1 3 3 SER H H 3 8.384 8.384 8.632 -0.248 18868 3443 1 11 . 1 1 4 4 PRO C C 4 180.814 180.814 178.724 2.090 18868 3444 1 11 . 1 1 4 4 PRO CA C 4 66.500 66.500 65.973 0.527 18868 3445 1 11 . 1 1 5 5 LEU N N 5 119.501 119.501 118.186 1.315 18868 3446 1 11 . 1 1 5 5 LEU C C 5 179.272 179.272 178.481 0.791 18868 3447 1 11 . 1 1 5 5 LEU CA C 5 58.600 58.600 58.182 0.418 18868 3448 1 11 . 1 1 5 5 LEU H H 5 9.386 9.386 8.133 1.253 18868 3449 1 11 . 1 1 6 6 ASP N N 6 119.191 119.191 118.276 0.915 18868 3450 1 11 . 1 1 6 6 ASP C C 6 182.313 182.313 179.071 3.242 18868 3451 1 11 . 1 1 6 6 ASP CA C 6 58.000 58.000 57.655 0.345 18868 3452 1 11 . 1 1 6 6 ASP H H 6 7.912 7.912 7.942 -0.030 18868 3453 1 11 . 1 1 7 7 GLN N N 7 117.979 117.979 119.079 -1.100 18868 3454 1 11 . 1 1 7 7 GLN C C 7 179.998 179.998 178.429 1.569 18868 3455 1 11 . 1 1 7 7 GLN CA C 7 58.900 58.900 58.637 0.263 18868 3456 1 11 . 1 1 7 7 GLN H H 7 8.065 8.065 8.114 -0.049 18868 3457 1 11 . 1 1 8 8 ALA N N 8 124.008 124.008 123.378 0.630 18868 3458 1 11 . 1 1 8 8 ALA CA C 8 55.500 55.500 55.239 0.261 18868 3459 1 11 . 1 1 8 8 ALA H H 8 8.159 8.159 8.122 0.037 18868 3460 1 11 . 1 1 9 9 ILE C C 9 179.258 179.258 178.410 0.848 18868 3461 1 11 . 1 1 9 9 ILE CA C 9 64.900 64.900 63.168 1.732 18868 3462 1 11 . 1 1 10 10 GLY N N 10 105.447 105.447 108.207 -2.760 18868 3463 1 11 . 1 1 10 10 GLY C C 10 177.984 177.984 176.209 1.775 18868 3464 1 11 . 1 1 10 10 GLY CA C 10 47.300 47.300 47.164 0.136 18868 3465 1 11 . 1 1 10 10 GLY H H 10 8.062 8.062 8.335 -0.273 18868 3466 1 11 . 1 1 11 11 LEU N N 11 124.755 124.755 122.886 1.869 18868 3467 1 11 . 1 1 11 11 LEU C C 11 178.346 178.346 178.582 -0.236 18868 3468 1 11 . 1 1 11 11 LEU CA C 11 58.000 58.000 57.801 0.199 18868 3469 1 11 . 1 1 11 11 LEU H H 11 8.067 8.067 8.115 -0.048 18868 3470 1 11 . 1 1 12 12 LEU N N 12 121.609 121.609 119.093 2.516 18868 3471 1 11 . 1 1 12 12 LEU C C 12 182.560 182.560 179.412 3.148 18868 3472 1 11 . 1 1 12 12 LEU CA C 12 59.000 59.000 58.201 0.799 18868 3473 1 11 . 1 1 12 12 LEU H H 12 7.997 7.997 7.994 0.003 18868 3474 1 11 . 1 1 13 13 VAL N N 13 119.951 119.951 118.699 1.252 18868 3475 1 11 . 1 1 13 13 VAL C C 13 178.016 178.016 178.136 -0.120 18868 3476 1 11 . 1 1 13 13 VAL CA C 13 67.100 67.100 66.110 0.990 18868 3477 1 11 . 1 1 13 13 VAL H H 13 8.087 8.087 8.170 -0.083 18868 3478 1 11 . 1 1 14 14 ALA N N 14 122.867 122.867 123.333 -0.466 18868 3479 1 11 . 1 1 14 14 ALA C C 14 175.380 175.380 180.066 -4.686 18868 3480 1 11 . 1 1 14 14 ALA CA C 14 55.600 55.600 55.365 0.235 18868 3481 1 11 . 1 1 14 14 ALA H H 14 8.363 8.363 8.009 0.354 18868 3482 1 11 . 1 1 15 15 ILE N N 15 118.496 118.496 118.927 -0.431 18868 3483 1 11 . 1 1 15 15 ILE C C 15 178.058 178.058 177.818 0.240 18868 3484 1 11 . 1 1 15 15 ILE CA C 15 64.800 64.800 65.132 -0.332 18868 3485 1 11 . 1 1 15 15 ILE H H 15 8.787 8.787 7.891 0.896 18868 3486 1 11 . 1 1 16 16 PHE N N 16 119.259 119.259 121.050 -1.791 18868 3487 1 11 . 1 1 16 16 PHE H H 16 7.171 7.171 7.723 -0.552 18868 3488 1 11 . 1 1 17 17 HIS C C 17 178.660 178.660 177.822 0.838 18868 3489 1 11 . 1 1 17 17 HIS CA C 17 54.800 54.800 56.383 -1.583 18868 3490 1 11 . 1 1 17 17 HIS CB C 17 30.000 30.000 29.361 0.639 18868 3491 1 11 . 1 1 18 18 LYS N N 18 122.924 122.924 120.953 1.971 18868 3492 1 11 . 1 1 18 18 LYS C C 18 180.221 180.221 177.026 3.195 18868 3493 1 11 . 1 1 18 18 LYS CA C 18 58.800 58.800 58.631 0.169 18868 3494 1 11 . 1 1 18 18 LYS CB C 18 40.200 40.200 32.352 7.848 18868 3495 1 11 . 1 1 18 18 LYS H H 18 8.880 8.880 7.739 1.141 18868 3496 1 11 . 1 1 19 19 TYR N N 19 120.227 120.227 115.119 5.108 18868 3497 1 11 . 1 1 19 19 TYR C C 19 178.435 178.435 175.000 3.435 18868 3498 1 11 . 1 1 19 19 TYR CA C 19 55.300 55.300 58.487 -3.187 18868 3499 1 11 . 1 1 19 19 TYR H H 19 8.879 8.879 7.488 1.391 18868 3500 1 11 . 1 1 20 20 SER N N 20 119.760 119.760 115.445 4.315 18868 3501 1 11 . 1 1 20 20 SER C C 20 178.376 178.376 175.480 2.896 18868 3502 1 11 . 1 1 20 20 SER CA C 20 56.900 56.900 59.150 -2.249 18868 3503 1 11 . 1 1 20 20 SER CB C 20 61.700 61.700 62.250 -0.550 18868 3504 1 11 . 1 1 20 20 SER H H 20 7.557 7.557 7.624 -0.067 18868 3505 1 11 . 1 1 21 21 GLY N N 21 111.202 111.202 115.317 -4.115 18868 3506 1 11 . 1 1 21 21 GLY C C 21 174.862 174.862 173.915 0.947 18868 3507 1 11 . 1 1 21 21 GLY CA C 21 45.600 45.600 44.905 0.695 18868 3508 1 11 . 1 1 21 21 GLY H H 21 7.696 7.696 8.639 -0.943 18868 3509 1 11 . 1 1 22 22 ARG N N 22 122.200 122.200 119.240 2.960 18868 3510 1 11 . 1 1 22 22 ARG C C 22 178.336 178.336 176.067 2.269 18868 3511 1 11 . 1 1 22 22 ARG CA C 22 59.500 59.500 57.553 1.947 18868 3512 1 11 . 1 1 22 22 ARG CB C 22 30.500 30.500 31.764 -1.264 18868 3513 1 11 . 1 1 22 22 ARG H H 22 7.311 7.311 9.020 -1.709 18868 3514 1 11 . 1 1 23 23 GLU N N 23 115.984 115.984 118.912 -2.928 18868 3515 1 11 . 1 1 23 23 GLU C C 23 177.129 177.129 175.937 1.192 18868 3516 1 11 . 1 1 23 23 GLU CA C 23 54.300 54.300 55.938 -1.638 18868 3517 1 11 . 1 1 23 23 GLU CB C 23 33.200 33.200 31.383 1.817 18868 3518 1 11 . 1 1 23 23 GLU H H 23 9.488 9.488 7.917 1.571 18868 3519 1 11 . 1 1 24 24 GLY N N 24 114.031 114.031 113.959 0.072 18868 3520 1 11 . 1 1 24 24 GLY C C 24 174.499 174.499 173.695 0.804 18868 3521 1 11 . 1 1 24 24 GLY CA C 24 45.900 45.900 45.074 0.826 18868 3522 1 11 . 1 1 24 24 GLY H H 24 9.048 9.048 8.637 0.411 18868 3523 1 11 . 1 1 25 25 ASP N N 25 125.634 125.634 122.412 3.222 18868 3524 1 11 . 1 1 25 25 ASP C C 25 177.998 177.998 175.058 2.940 18868 3525 1 11 . 1 1 25 25 ASP CA C 25 55.000 55.000 52.708 2.292 18868 3526 1 11 . 1 1 25 25 ASP H H 25 8.249 8.249 8.388 -0.139 18868 3527 1 11 . 1 1 26 26 LYS N N 26 121.469 121.469 117.828 3.641 18868 3528 1 11 . 1 1 26 26 LYS CA C 26 57.600 57.600 56.260 1.340 18868 3529 1 11 . 1 1 26 26 LYS CB C 26 37.800 37.800 33.483 4.317 18868 3530 1 11 . 1 1 26 26 LYS H H 26 9.043 9.043 8.606 0.437 18868 3531 1 11 . 1 1 27 27 HIS N N 27 112.780 112.780 116.540 -3.760 18868 3532 1 11 . 1 1 27 27 HIS C C 27 175.067 175.067 174.003 1.064 18868 3533 1 11 . 1 1 27 27 HIS CA C 27 55.300 55.300 56.421 -1.121 18868 3534 1 11 . 1 1 27 27 HIS CB C 27 30.300 30.300 31.388 -1.088 18868 3535 1 11 . 1 1 27 27 HIS H H 27 8.241 8.241 8.572 -0.331 18868 3536 1 11 . 1 1 28 28 THR N N 28 106.447 106.447 109.622 -3.175 18868 3537 1 11 . 1 1 28 28 THR C C 28 174.469 174.469 172.647 1.822 18868 3538 1 11 . 1 1 28 28 THR CA C 28 60.000 60.000 60.247 -0.247 18868 3539 1 11 . 1 1 28 28 THR H H 28 7.248 7.248 7.541 -0.293 18868 3540 1 11 . 1 1 29 29 LEU N N 29 125.037 125.037 121.048 3.989 18868 3541 1 11 . 1 1 29 29 LEU C C 29 180.751 180.751 176.113 4.638 18868 3542 1 11 . 1 1 29 29 LEU CA C 29 55.200 55.200 53.557 1.643 18868 3543 1 11 . 1 1 29 29 LEU CB C 29 41.800 41.800 45.106 -3.306 18868 3544 1 11 . 1 1 29 29 LEU H H 29 9.421 9.421 8.456 0.965 18868 3545 1 11 . 1 1 30 30 SER N N 30 131.373 131.373 119.692 11.681 18868 3546 1 11 . 1 1 30 30 SER C C 30 177.946 177.946 176.130 1.816 18868 3547 1 11 . 1 1 30 30 SER CA C 30 57.900 57.900 57.732 0.168 18868 3548 1 11 . 1 1 30 30 SER H H 30 9.312 9.312 9.662 -0.350 18868 3549 1 11 . 1 1 31 31 LYS N N 31 117.689 117.689 118.843 -1.154 18868 3550 1 11 . 1 1 31 31 LYS CA C 31 57.800 57.800 57.838 -0.038 18868 3551 1 11 . 1 1 31 31 LYS H H 31 9.659 9.659 8.857 0.802 18868 3552 1 11 . 1 1 32 32 LYS C C 32 180.677 180.677 177.971 2.706 18868 3553 1 11 . 1 1 32 32 LYS CA C 32 59.800 59.800 58.493 1.307 18868 3554 1 11 . 1 1 33 33 GLU N N 33 120.336 120.336 121.013 -0.677 18868 3555 1 11 . 1 1 33 33 GLU C C 33 179.654 179.654 179.137 0.517 18868 3556 1 11 . 1 1 33 33 GLU CA C 33 59.300 59.300 59.514 -0.214 18868 3557 1 11 . 1 1 33 33 GLU H H 33 7.608 7.608 7.665 -0.057 18868 3558 1 11 . 1 1 34 34 LEU N N 34 117.303 117.303 120.581 -3.278 18868 3559 1 11 . 1 1 34 34 LEU C C 34 179.420 179.420 178.121 1.299 18868 3560 1 11 . 1 1 34 34 LEU CA C 34 58.200 58.200 58.239 -0.039 18868 3561 1 11 . 1 1 34 34 LEU H H 34 7.659 7.659 8.304 -0.645 18868 3562 1 11 . 1 1 35 35 LYS N N 35 116.520 116.520 119.419 -2.899 18868 3563 1 11 . 1 1 35 35 LYS CA C 35 60.700 60.700 59.990 0.710 18868 3564 1 11 . 1 1 35 35 LYS CB C 35 32.000 32.000 31.713 0.287 18868 3565 1 11 . 1 1 35 35 LYS H H 35 7.731 7.731 8.245 -0.514 18868 3566 1 11 . 1 1 36 36 GLU N N 36 118.365 118.365 119.137 -0.772 18868 3567 1 11 . 1 1 36 36 GLU C C 36 177.868 177.868 178.746 -0.878 18868 3568 1 11 . 1 1 36 36 GLU CA C 36 59.700 59.700 59.127 0.573 18868 3569 1 11 . 1 1 36 36 GLU CB C 36 29.300 29.300 29.714 -0.414 18868 3570 1 11 . 1 1 36 36 GLU H H 36 7.871 7.871 7.641 0.230 18868 3571 1 11 . 1 1 37 37 LEU N N 37 121.068 121.068 120.759 0.309 18868 3572 1 11 . 1 1 37 37 LEU C C 37 176.731 176.731 178.581 -1.850 18868 3573 1 11 . 1 1 37 37 LEU CA C 37 59.500 59.500 57.779 1.720 18868 3574 1 11 . 1 1 37 37 LEU CB C 37 42.700 42.700 41.716 0.984 18868 3575 1 11 . 1 1 37 37 LEU H H 37 7.513 7.513 7.496 0.017 18868 3576 1 11 . 1 1 38 38 ILE N N 38 117.867 117.867 118.373 -0.506 18868 3577 1 11 . 1 1 38 38 ILE C C 38 178.658 178.658 178.473 0.185 18868 3578 1 11 . 1 1 38 38 ILE CA C 38 65.300 65.300 65.294 0.006 18868 3579 1 11 . 1 1 38 38 ILE H H 38 8.206 8.206 8.073 0.133 18868 3580 1 11 . 1 1 39 39 GLN N N 39 114.147 114.147 116.407 -2.260 18868 3581 1 11 . 1 1 39 39 GLN C C 39 180.003 180.003 177.117 2.886 18868 3582 1 11 . 1 1 39 39 GLN CA C 39 59.500 59.500 58.192 1.308 18868 3583 1 11 . 1 1 39 39 GLN H H 39 8.238 8.238 8.137 0.101 18868 3584 1 11 . 1 1 40 40 LYS N N 40 115.051 115.051 118.743 -3.692 18868 3585 1 11 . 1 1 40 40 LYS C C 40 180.483 180.483 177.672 2.811 18868 3586 1 11 . 1 1 40 40 LYS CA C 40 57.500 57.500 57.612 -0.112 18868 3587 1 11 . 1 1 40 40 LYS H H 40 8.298 8.298 7.578 0.720 18868 3588 1 11 . 1 1 41 41 GLU N N 41 112.448 112.448 117.411 -4.963 18868 3589 1 11 . 1 1 41 41 GLU C C 41 178.252 178.252 176.926 1.326 18868 3590 1 11 . 1 1 41 41 GLU CA C 41 55.700 55.700 56.639 -0.939 18868 3591 1 11 . 1 1 41 41 GLU H H 41 8.328 8.328 8.356 -0.028 18868 3592 1 11 . 1 1 42 42 LEU N N 42 118.693 118.693 121.780 -3.087 18868 3593 1 11 . 1 1 42 42 LEU C C 42 179.377 179.377 177.030 2.347 18868 3594 1 11 . 1 1 42 42 LEU CA C 42 53.300 53.300 54.003 -0.703 18868 3595 1 11 . 1 1 42 42 LEU H H 42 7.361 7.361 7.368 -0.007 18868 3596 1 11 . 1 1 43 43 THR N N 43 125.535 125.535 121.870 3.665 18868 3597 1 11 . 1 1 43 43 THR C C 43 180.403 180.403 176.159 4.244 18868 3598 1 11 . 1 1 43 43 THR CA C 43 67.300 67.300 66.530 0.770 18868 3599 1 11 . 1 1 43 43 THR H H 43 9.926 9.926 8.723 1.203 18868 3600 1 11 . 1 1 44 44 ILE N N 44 116.467 116.467 118.928 -2.461 18868 3601 1 11 . 1 1 44 44 ILE C C 44 178.107 178.107 177.542 0.565 18868 3602 1 11 . 1 1 44 44 ILE CA C 44 62.400 62.400 60.848 1.552 18868 3603 1 11 . 1 1 44 44 ILE CB C 44 38.300 38.300 37.885 0.415 18868 3604 1 11 . 1 1 44 44 ILE H H 44 8.214 8.214 7.985 0.229 18868 3605 1 11 . 1 1 45 45 GLY N N 45 108.241 108.241 108.763 -0.522 18868 3606 1 11 . 1 1 45 45 GLY C C 45 176.355 176.355 176.125 0.230 18868 3607 1 11 . 1 1 45 45 GLY CA C 45 47.400 47.400 47.284 0.116 18868 3608 1 11 . 1 1 45 45 GLY H H 45 7.750 7.750 7.509 0.241 18868 3609 1 11 . 1 1 46 46 SER N N 46 113.635 113.635 114.935 -1.300 18868 3610 1 11 . 1 1 46 46 SER C C 46 176.007 176.007 174.578 1.429 18868 3611 1 11 . 1 1 46 46 SER CA C 46 60.100 60.100 59.868 0.232 18868 3612 1 11 . 1 1 46 46 SER H H 46 7.847 7.847 7.892 -0.045 18868 3613 1 11 . 1 1 47 47 LYS N N 47 119.437 119.437 120.076 -0.639 18868 3614 1 11 . 1 1 47 47 LYS C C 47 178.100 178.100 175.397 2.703 18868 3615 1 11 . 1 1 47 47 LYS CA C 47 56.000 56.000 55.866 0.134 18868 3616 1 11 . 1 1 47 47 LYS CB C 47 33.400 33.400 33.484 -0.084 18868 3617 1 11 . 1 1 47 47 LYS H H 47 7.709 7.709 7.668 0.041 18868 3618 1 11 . 1 1 48 48 LEU N N 48 120.169 120.169 120.555 -0.386 18868 3619 1 11 . 1 1 48 48 LEU C C 48 178.009 178.009 176.512 1.497 18868 3620 1 11 . 1 1 48 48 LEU CA C 48 55.000 55.000 53.830 1.170 18868 3621 1 11 . 1 1 48 48 LEU H H 48 7.139 7.139 7.423 -0.283 18868 3622 1 11 . 1 1 49 49 GLN N N 49 121.739 121.739 119.837 1.902 18868 3623 1 11 . 1 1 49 49 GLN C C 49 179.051 179.051 176.621 2.430 18868 3624 1 11 . 1 1 49 49 GLN CA C 49 55.800 55.800 55.640 0.160 18868 3625 1 11 . 1 1 49 49 GLN H H 49 7.917 7.917 8.312 -0.395 18868 3626 1 11 . 1 1 50 50 ASP N N 50 119.121 119.121 124.325 -5.204 18868 3627 1 11 . 1 1 50 50 ASP C C 50 178.335 178.335 177.642 0.693 18868 3628 1 11 . 1 1 50 50 ASP CA C 50 59.300 59.300 57.760 1.540 18868 3629 1 11 . 1 1 50 50 ASP H H 50 7.597 7.597 8.977 -1.380 18868 3630 1 11 . 1 1 51 51 ALA N N 51 116.624 116.624 122.375 -5.751 18868 3631 1 11 . 1 1 51 51 ALA C C 51 181.587 181.587 179.695 1.892 18868 3632 1 11 . 1 1 51 51 ALA CA C 51 57.700 57.700 55.340 2.360 18868 3633 1 11 . 1 1 51 51 ALA H H 51 7.560 7.560 8.469 -0.909 18868 3634 1 11 . 1 1 52 52 GLU N N 52 118.931 118.931 118.863 0.068 18868 3635 1 11 . 1 1 52 52 GLU C C 52 180.495 180.495 179.145 1.350 18868 3636 1 11 . 1 1 52 52 GLU CA C 52 58.900 58.900 58.899 0.001 18868 3637 1 11 . 1 1 52 52 GLU H H 52 8.511 8.511 8.333 0.178 18868 3638 1 11 . 1 1 53 53 ILE N N 53 120.400 120.400 120.297 0.103 18868 3639 1 11 . 1 1 53 53 ILE CA C 53 59.000 59.000 65.177 -6.177 18868 3640 1 11 . 1 1 53 53 ILE H H 53 7.905 7.905 8.454 -0.549 18868 3641 1 11 . 1 1 54 54 ALA C C 54 181.477 181.477 179.300 2.177 18868 3642 1 11 . 1 1 54 54 ALA CA C 54 55.600 55.600 55.302 0.298 18868 3643 1 11 . 1 1 55 55 ARG N N 55 118.315 118.315 119.156 -0.841 18868 3644 1 11 . 1 1 55 55 ARG C C 55 179.468 179.468 178.487 0.981 18868 3645 1 11 . 1 1 55 55 ARG CA C 55 59.100 59.100 58.933 0.167 18868 3646 1 11 . 1 1 55 55 ARG H H 55 7.448 7.448 7.830 -0.382 18868 3647 1 11 . 1 1 56 56 LEU N N 56 120.310 120.310 121.329 -1.019 18868 3648 1 11 . 1 1 56 56 LEU C C 56 179.984 179.984 178.720 1.264 18868 3649 1 11 . 1 1 56 56 LEU CA C 56 58.000 58.000 57.920 0.080 18868 3650 1 11 . 1 1 56 56 LEU H H 56 7.672 7.672 8.248 -0.576 18868 3651 1 11 . 1 1 57 57 MET N N 57 115.780 115.780 116.197 -0.417 18868 3652 1 11 . 1 1 57 57 MET C C 57 179.083 179.083 178.855 0.228 18868 3653 1 11 . 1 1 57 57 MET H H 57 8.354 8.354 8.337 0.017 18868 3654 1 11 . 1 1 58 58 GLU N N 58 117.826 117.826 120.215 -2.389 18868 3655 1 11 . 1 1 58 58 GLU C C 58 179.161 179.161 177.733 1.428 18868 3656 1 11 . 1 1 58 58 GLU CA C 58 59.300 59.300 58.128 1.172 18868 3657 1 11 . 1 1 58 58 GLU CB C 58 31.100 31.100 29.058 2.042 18868 3658 1 11 . 1 1 58 58 GLU H H 58 7.620 7.620 7.848 -0.228 18868 3659 1 11 . 1 1 59 59 ASP N N 59 117.801 117.801 120.717 -2.916 18868 3660 1 11 . 1 1 59 59 ASP CA C 59 57.200 57.200 57.434 -0.233 18868 3661 1 11 . 1 1 59 59 ASP H H 59 8.693 8.693 7.959 0.734 18868 3662 1 11 . 1 1 60 60 LEU N N 60 117.370 117.370 117.663 -0.293 18868 3663 1 11 . 1 1 60 60 LEU C C 60 179.216 179.216 177.234 1.982 18868 3664 1 11 . 1 1 60 60 LEU CA C 60 56.200 56.200 56.851 -0.651 18868 3665 1 11 . 1 1 60 60 LEU H H 60 8.159 8.159 7.382 0.777 18868 3666 1 11 . 1 1 61 61 ASP N N 61 117.835 117.835 119.242 -1.407 18868 3667 1 11 . 1 1 61 61 ASP C C 61 178.473 178.473 176.408 2.065 18868 3668 1 11 . 1 1 61 61 ASP CA C 61 52.800 52.800 55.083 -2.283 18868 3669 1 11 . 1 1 61 61 ASP CB C 61 39.100 39.100 39.938 -0.838 18868 3670 1 11 . 1 1 61 61 ASP H H 61 7.559 7.559 7.863 -0.304 18868 3671 1 11 . 1 1 62 62 ARG N N 62 125.783 125.783 123.819 1.964 18868 3672 1 11 . 1 1 62 62 ARG C C 62 178.519 178.519 177.261 1.258 18868 3673 1 11 . 1 1 62 62 ARG CA C 62 58.500 58.500 57.792 0.708 18868 3674 1 11 . 1 1 62 62 ARG CB C 62 30.200 30.200 30.295 -0.095 18868 3675 1 11 . 1 1 62 62 ARG H H 62 7.839 7.839 8.287 -0.448 18868 3676 1 11 . 1 1 63 63 ASN N N 63 112.348 112.348 116.325 -3.977 18868 3677 1 11 . 1 1 63 63 ASN C C 63 175.597 175.597 174.396 1.201 18868 3678 1 11 . 1 1 63 63 ASN CA C 63 51.900 51.900 52.386 -0.486 18868 3679 1 11 . 1 1 63 63 ASN CB C 63 36.700 36.700 38.612 -1.913 18868 3680 1 11 . 1 1 63 63 ASN H H 63 7.899 7.899 8.138 -0.239 18868 3681 1 11 . 1 1 64 64 LYS N N 64 114.407 114.407 117.481 -3.074 18868 3682 1 11 . 1 1 64 64 LYS C C 64 176.731 176.731 175.199 1.532 18868 3683 1 11 . 1 1 64 64 LYS CA C 64 59.500 59.500 57.301 2.199 18868 3684 1 11 . 1 1 64 64 LYS H H 64 7.485 7.485 7.745 -0.260 18868 3685 1 11 . 1 1 65 65 ASP N N 65 117.880 117.880 119.616 -1.736 18868 3686 1 11 . 1 1 65 65 ASP C C 65 177.981 177.981 176.618 1.363 18868 3687 1 11 . 1 1 65 65 ASP CA C 65 52.900 52.900 54.097 -1.198 18868 3688 1 11 . 1 1 65 65 ASP H H 65 8.184 8.184 9.288 -1.104 18868 3689 1 11 . 1 1 66 66 GLN N N 66 114.037 114.037 114.138 -0.101 18868 3690 1 11 . 1 1 66 66 GLN C C 66 175.374 175.374 174.708 0.666 18868 3691 1 11 . 1 1 66 66 GLN CA C 66 57.900 57.900 57.830 0.070 18868 3692 1 11 . 1 1 66 66 GLN CB C 66 26.200 26.200 26.265 -0.065 18868 3693 1 11 . 1 1 66 66 GLN H H 66 9.917 9.917 8.921 0.996 18868 3694 1 11 . 1 1 67 67 GLU N N 67 117.611 117.611 118.255 -0.644 18868 3695 1 11 . 1 1 67 67 GLU C C 67 176.826 176.826 175.740 1.086 18868 3696 1 11 . 1 1 67 67 GLU CA C 67 54.000 54.000 54.432 -0.432 18868 3697 1 11 . 1 1 67 67 GLU CB C 67 33.100 33.100 30.194 2.906 18868 3698 1 11 . 1 1 67 67 GLU H H 67 7.800 7.800 8.564 -0.764 18868 3699 1 11 . 1 1 68 68 VAL N N 68 126.064 126.064 125.061 1.003 18868 3700 1 11 . 1 1 68 68 VAL C C 68 177.398 177.398 175.892 1.506 18868 3701 1 11 . 1 1 68 68 VAL CA C 68 61.100 61.100 63.824 -2.724 18868 3702 1 11 . 1 1 68 68 VAL CB C 68 33.300 33.300 31.215 2.085 18868 3703 1 11 . 1 1 68 68 VAL H H 68 9.656 9.656 8.058 1.598 18868 3704 1 11 . 1 1 69 69 ASN N N 69 127.002 127.002 126.573 0.429 18868 3705 1 11 . 1 1 69 69 ASN C C 69 175.438 175.438 175.653 -0.215 18868 3706 1 11 . 1 1 69 69 ASN CA C 69 51.200 51.200 51.884 -0.684 18868 3707 1 11 . 1 1 69 69 ASN H H 69 9.036 9.036 9.703 -0.667 18868 3708 1 11 . 1 1 70 70 PHE N N 70 119.437 119.437 119.390 0.047 18868 3709 1 11 . 1 1 70 70 PHE C C 70 177.652 177.652 177.185 0.467 18868 3710 1 11 . 1 1 70 70 PHE CA C 70 63.300 63.300 62.376 0.924 18868 3711 1 11 . 1 1 70 70 PHE H H 70 9.055 9.055 9.086 -0.031 18868 3712 1 11 . 1 1 71 71 GLN N N 71 117.576 117.576 116.712 0.864 18868 3713 1 11 . 1 1 71 71 GLN C C 71 180.488 180.488 178.448 2.040 18868 3714 1 11 . 1 1 71 71 GLN CA C 71 60.100 60.100 59.188 0.912 18868 3715 1 11 . 1 1 71 71 GLN CB C 71 27.900 27.900 28.399 -0.499 18868 3716 1 11 . 1 1 71 71 GLN H H 71 8.273 8.273 8.467 -0.194 18868 3717 1 11 . 1 1 72 72 GLU N N 72 119.971 119.971 119.604 0.367 18868 3718 1 11 . 1 1 72 72 GLU C C 72 179.001 179.001 179.339 -0.338 18868 3719 1 11 . 1 1 72 72 GLU CA C 72 58.700 58.700 59.140 -0.440 18868 3720 1 11 . 1 1 72 72 GLU H H 72 8.631 8.631 7.766 0.865 18868 3721 1 11 . 1 1 73 73 TYR N N 73 120.475 120.475 122.567 -2.092 18868 3722 1 11 . 1 1 73 73 TYR C C 73 180.040 180.040 176.915 3.125 18868 3723 1 11 . 1 1 73 73 TYR H H 73 7.721 7.721 8.408 -0.687 18868 3724 1 11 . 1 1 74 74 VAL N N 74 119.604 119.604 118.853 0.751 18868 3725 1 11 . 1 1 74 74 VAL C C 74 177.821 177.821 177.408 0.413 18868 3726 1 11 . 1 1 74 74 VAL CA C 74 60.200 60.200 67.087 -6.887 18868 3727 1 11 . 1 1 74 74 VAL CB C 74 33.800 33.800 30.773 3.027 18868 3728 1 11 . 1 1 74 74 VAL H H 74 8.147 8.147 7.939 0.208 18868 3729 1 11 . 1 1 75 75 THR N N 75 124.638 124.638 115.854 8.784 18868 3730 1 11 . 1 1 75 75 THR C C 75 179.971 179.971 176.250 3.721 18868 3731 1 11 . 1 1 75 75 THR CA C 75 60.600 60.600 66.702 -6.102 18868 3732 1 11 . 1 1 75 75 THR H H 75 7.714 7.714 7.496 0.218 18868 3733 1 11 . 1 1 76 76 PHE N N 76 116.963 116.963 122.700 -5.737 18868 3734 1 11 . 1 1 76 76 PHE C C 76 177.695 177.695 176.184 1.511 18868 3735 1 11 . 1 1 76 76 PHE CA C 76 60.000 60.000 60.379 -0.379 18868 3736 1 11 . 1 1 76 76 PHE H H 76 7.864 7.864 7.504 0.360 18868 3737 1 11 . 1 1 77 77 LEU N N 77 117.568 117.568 119.287 -1.719 18868 3738 1 11 . 1 1 77 77 LEU C C 77 180.668 180.668 178.726 1.942 18868 3739 1 11 . 1 1 77 77 LEU CA C 77 57.800 57.800 57.331 0.469 18868 3740 1 11 . 1 1 77 77 LEU H H 77 7.913 7.913 7.550 0.363 18868 3741 1 11 . 1 1 78 78 GLY N N 78 104.257 104.257 106.201 -1.944 18868 3742 1 11 . 1 1 78 78 GLY C C 78 176.062 176.062 175.301 0.761 18868 3743 1 11 . 1 1 78 78 GLY CA C 78 47.600 47.600 47.053 0.547 18868 3744 1 11 . 1 1 78 78 GLY H H 78 8.057 8.057 8.508 -0.451 18868 3745 1 11 . 1 1 79 79 ALA N N 79 124.122 124.122 125.095 -0.973 18868 3746 1 11 . 1 1 79 79 ALA C C 79 182.313 182.313 179.575 2.738 18868 3747 1 11 . 1 1 79 79 ALA CA C 79 55.100 55.100 54.815 0.285 18868 3748 1 11 . 1 1 79 79 ALA H H 79 7.804 7.804 7.527 0.277 18868 3749 1 11 . 1 1 80 80 LEU N N 80 117.976 117.976 119.127 -1.151 18868 3750 1 11 . 1 1 80 80 LEU C C 80 178.389 178.389 179.116 -0.727 18868 3751 1 11 . 1 1 80 80 LEU CA C 80 57.400 57.400 57.661 -0.261 18868 3752 1 11 . 1 1 80 80 LEU H H 80 8.045 8.045 7.759 0.286 18868 3753 1 11 . 1 1 81 81 ALA N N 81 121.199 121.199 121.890 -0.691 18868 3754 1 11 . 1 1 81 81 ALA C C 81 181.617 181.617 179.699 1.918 18868 3755 1 11 . 1 1 81 81 ALA CA C 81 55.300 55.300 55.097 0.203 18868 3756 1 11 . 1 1 81 81 ALA H H 81 8.152 8.152 7.955 0.197 18868 3757 1 11 . 1 1 82 82 LEU N N 82 117.392 117.392 119.613 -2.221 18868 3758 1 11 . 1 1 82 82 LEU C C 82 180.828 180.828 179.200 1.628 18868 3759 1 11 . 1 1 82 82 LEU CA C 82 58.800 58.800 57.958 0.842 18868 3760 1 11 . 1 1 82 82 LEU H H 82 7.238 7.238 8.092 -0.854 18868 3761 1 11 . 1 1 83 83 ILE N N 83 124.342 124.342 119.358 4.984 18868 3762 1 11 . 1 1 83 83 ILE C C 83 177.495 177.495 178.118 -0.623 18868 3763 1 11 . 1 1 83 83 ILE CA C 83 60.500 60.500 65.562 -5.062 18868 3764 1 11 . 1 1 83 83 ILE H H 83 8.726 8.726 8.086 0.640 18868 3765 1 11 . 1 1 84 84 TYR N N 84 120.026 120.026 119.052 0.974 18868 3766 1 11 . 1 1 84 84 TYR C C 84 177.236 177.236 178.232 -0.996 18868 3767 1 11 . 1 1 84 84 TYR CA C 84 56.900 56.900 62.436 -5.536 18868 3768 1 11 . 1 1 84 84 TYR H H 84 8.241 8.241 8.553 -0.312 18868 3769 1 11 . 1 1 85 85 ASN N N 85 117.125 117.125 116.395 0.730 18868 3770 1 11 . 1 1 85 85 ASN C C 85 175.508 175.508 177.760 -2.252 18868 3771 1 11 . 1 1 85 85 ASN CA C 85 56.600 56.600 55.707 0.893 18868 3772 1 11 . 1 1 85 85 ASN H H 85 7.681 7.681 8.098 -0.417 18868 3773 1 11 . 1 1 86 86 GLU N N 86 119.756 119.756 119.910 -0.154 18868 3774 1 11 . 1 1 86 86 GLU C C 86 177.821 177.821 178.472 -0.651 18868 3775 1 11 . 1 1 86 86 GLU H H 86 8.790 8.790 8.304 0.486 18868 3776 1 11 . 1 1 87 87 ALA N N 87 112.780 112.780 120.886 -8.106 18868 3777 1 11 . 1 1 87 87 ALA H H 87 8.241 8.241 7.793 0.448 18868 3778 1 11 . 1 1 88 88 LEU N N 88 118.627 118.627 117.335 1.292 18868 3779 1 11 . 1 1 88 88 LEU CA C 88 57.900 57.900 56.133 1.768 18868 3780 1 11 . 1 1 88 88 LEU H H 88 8.384 8.384 7.377 1.007 18868 3781 1 11 . 1 1 89 89 LYS N N 89 118.552 118.552 118.763 -0.211 18868 3782 1 11 . 1 1 89 89 LYS C C 89 177.332 177.332 177.566 -0.234 18868 3783 1 11 . 1 1 89 89 LYS CA C 89 56.900 56.900 57.316 -0.416 18868 3784 1 11 . 1 1 89 89 LYS H H 89 7.854 7.854 7.705 0.149 18868 3785 1 12 . 1 1 3 3 SER N N 3 118.627 118.627 118.341 0.286 18868 3786 1 12 . 1 1 3 3 SER H H 3 8.384 8.384 8.628 -0.244 18868 3787 1 12 . 1 1 4 4 PRO C C 4 180.814 180.814 178.765 2.049 18868 3788 1 12 . 1 1 4 4 PRO CA C 4 66.500 66.500 65.802 0.699 18868 3789 1 12 . 1 1 5 5 LEU N N 5 119.501 119.501 118.830 0.671 18868 3790 1 12 . 1 1 5 5 LEU C C 5 179.272 179.272 178.432 0.840 18868 3791 1 12 . 1 1 5 5 LEU CA C 5 58.600 58.600 58.368 0.232 18868 3792 1 12 . 1 1 5 5 LEU H H 5 9.386 9.386 8.082 1.304 18868 3793 1 12 . 1 1 6 6 ASP N N 6 119.191 119.191 118.208 0.983 18868 3794 1 12 . 1 1 6 6 ASP C C 6 182.313 182.313 179.189 3.124 18868 3795 1 12 . 1 1 6 6 ASP CA C 6 58.000 58.000 57.875 0.125 18868 3796 1 12 . 1 1 6 6 ASP H H 6 7.912 7.912 8.446 -0.534 18868 3797 1 12 . 1 1 7 7 GLN N N 7 117.979 117.979 118.628 -0.649 18868 3798 1 12 . 1 1 7 7 GLN C C 7 179.998 179.998 178.500 1.498 18868 3799 1 12 . 1 1 7 7 GLN CA C 7 58.900 58.900 58.477 0.423 18868 3800 1 12 . 1 1 7 7 GLN H H 7 8.065 8.065 8.239 -0.174 18868 3801 1 12 . 1 1 8 8 ALA N N 8 124.008 124.008 123.513 0.495 18868 3802 1 12 . 1 1 8 8 ALA CA C 8 55.500 55.500 55.237 0.263 18868 3803 1 12 . 1 1 8 8 ALA H H 8 8.159 8.159 8.134 0.025 18868 3804 1 12 . 1 1 9 9 ILE C C 9 179.258 179.258 178.449 0.809 18868 3805 1 12 . 1 1 9 9 ILE CA C 9 64.900 64.900 63.013 1.887 18868 3806 1 12 . 1 1 10 10 GLY N N 10 105.447 105.447 108.139 -2.692 18868 3807 1 12 . 1 1 10 10 GLY C C 10 177.984 177.984 176.210 1.774 18868 3808 1 12 . 1 1 10 10 GLY CA C 10 47.300 47.300 47.200 0.100 18868 3809 1 12 . 1 1 10 10 GLY H H 10 8.062 8.062 8.547 -0.485 18868 3810 1 12 . 1 1 11 11 LEU N N 11 124.755 124.755 123.180 1.575 18868 3811 1 12 . 1 1 11 11 LEU C C 11 178.346 178.346 178.498 -0.152 18868 3812 1 12 . 1 1 11 11 LEU CA C 11 58.000 58.000 57.675 0.325 18868 3813 1 12 . 1 1 11 11 LEU H H 11 8.067 8.067 7.792 0.275 18868 3814 1 12 . 1 1 12 12 LEU N N 12 121.609 121.609 118.966 2.643 18868 3815 1 12 . 1 1 12 12 LEU C C 12 182.560 182.560 179.611 2.949 18868 3816 1 12 . 1 1 12 12 LEU CA C 12 59.000 59.000 58.314 0.686 18868 3817 1 12 . 1 1 12 12 LEU H H 12 7.997 7.997 7.721 0.276 18868 3818 1 12 . 1 1 13 13 VAL N N 13 119.951 119.951 118.926 1.025 18868 3819 1 12 . 1 1 13 13 VAL C C 13 178.016 178.016 177.904 0.112 18868 3820 1 12 . 1 1 13 13 VAL CA C 13 67.100 67.100 66.747 0.353 18868 3821 1 12 . 1 1 13 13 VAL H H 13 8.087 8.087 7.938 0.149 18868 3822 1 12 . 1 1 14 14 ALA N N 14 122.867 122.867 123.086 -0.219 18868 3823 1 12 . 1 1 14 14 ALA C C 14 175.380 175.380 179.018 -3.638 18868 3824 1 12 . 1 1 14 14 ALA CA C 14 55.600 55.600 55.059 0.541 18868 3825 1 12 . 1 1 14 14 ALA H H 14 8.363 8.363 7.936 0.427 18868 3826 1 12 . 1 1 15 15 ILE N N 15 118.496 118.496 118.192 0.304 18868 3827 1 12 . 1 1 15 15 ILE C C 15 178.058 178.058 178.454 -0.396 18868 3828 1 12 . 1 1 15 15 ILE CA C 15 64.800 64.800 64.478 0.322 18868 3829 1 12 . 1 1 15 15 ILE H H 15 8.787 8.787 8.075 0.712 18868 3830 1 12 . 1 1 16 16 PHE N N 16 119.259 119.259 122.353 -3.094 18868 3831 1 12 . 1 1 16 16 PHE H H 16 7.171 7.171 8.284 -1.113 18868 3832 1 12 . 1 1 17 17 HIS C C 17 178.660 178.660 176.734 1.926 18868 3833 1 12 . 1 1 17 17 HIS CA C 17 54.800 54.800 56.106 -1.306 18868 3834 1 12 . 1 1 17 17 HIS CB C 17 30.000 30.000 28.974 1.026 18868 3835 1 12 . 1 1 18 18 LYS N N 18 122.924 122.924 120.880 2.044 18868 3836 1 12 . 1 1 18 18 LYS C C 18 180.221 180.221 176.727 3.494 18868 3837 1 12 . 1 1 18 18 LYS CA C 18 58.800 58.800 58.113 0.687 18868 3838 1 12 . 1 1 18 18 LYS CB C 18 40.200 40.200 32.571 7.629 18868 3839 1 12 . 1 1 18 18 LYS H H 18 8.880 8.880 7.600 1.280 18868 3840 1 12 . 1 1 19 19 TYR N N 19 120.227 120.227 115.420 4.807 18868 3841 1 12 . 1 1 19 19 TYR C C 19 178.435 178.435 175.232 3.203 18868 3842 1 12 . 1 1 19 19 TYR CA C 19 55.300 55.300 58.060 -2.760 18868 3843 1 12 . 1 1 19 19 TYR H H 19 8.879 8.879 7.418 1.461 18868 3844 1 12 . 1 1 20 20 SER N N 20 119.760 119.760 115.538 4.222 18868 3845 1 12 . 1 1 20 20 SER C C 20 178.376 178.376 175.394 2.982 18868 3846 1 12 . 1 1 20 20 SER CA C 20 56.900 56.900 58.969 -2.069 18868 3847 1 12 . 1 1 20 20 SER CB C 20 61.700 61.700 62.234 -0.534 18868 3848 1 12 . 1 1 20 20 SER H H 20 7.557 7.557 7.442 0.115 18868 3849 1 12 . 1 1 21 21 GLY N N 21 111.202 111.202 115.059 -3.857 18868 3850 1 12 . 1 1 21 21 GLY C C 21 174.862 174.862 174.401 0.461 18868 3851 1 12 . 1 1 21 21 GLY CA C 21 45.600 45.600 45.183 0.417 18868 3852 1 12 . 1 1 21 21 GLY H H 21 7.696 7.696 8.963 -1.267 18868 3853 1 12 . 1 1 22 22 ARG N N 22 122.200 122.200 119.742 2.458 18868 3854 1 12 . 1 1 22 22 ARG C C 22 178.336 178.336 176.270 2.066 18868 3855 1 12 . 1 1 22 22 ARG CA C 22 59.500 59.500 57.625 1.875 18868 3856 1 12 . 1 1 22 22 ARG CB C 22 30.500 30.500 31.547 -1.047 18868 3857 1 12 . 1 1 22 22 ARG H H 22 7.311 7.311 9.456 -2.145 18868 3858 1 12 . 1 1 23 23 GLU N N 23 115.984 115.984 117.505 -1.521 18868 3859 1 12 . 1 1 23 23 GLU C C 23 177.129 177.129 175.917 1.212 18868 3860 1 12 . 1 1 23 23 GLU CA C 23 54.300 54.300 55.751 -1.451 18868 3861 1 12 . 1 1 23 23 GLU CB C 23 33.200 33.200 31.865 1.335 18868 3862 1 12 . 1 1 23 23 GLU H H 23 9.488 9.488 7.977 1.511 18868 3863 1 12 . 1 1 24 24 GLY N N 24 114.031 114.031 114.392 -0.361 18868 3864 1 12 . 1 1 24 24 GLY C C 24 174.499 174.499 173.657 0.842 18868 3865 1 12 . 1 1 24 24 GLY CA C 24 45.900 45.900 45.124 0.776 18868 3866 1 12 . 1 1 24 24 GLY H H 24 9.048 9.048 8.623 0.425 18868 3867 1 12 . 1 1 25 25 ASP N N 25 125.634 125.634 122.515 3.119 18868 3868 1 12 . 1 1 25 25 ASP C C 25 177.998 177.998 175.004 2.994 18868 3869 1 12 . 1 1 25 25 ASP CA C 25 55.000 55.000 52.732 2.268 18868 3870 1 12 . 1 1 25 25 ASP H H 25 8.249 8.249 8.172 0.076 18868 3871 1 12 . 1 1 26 26 LYS N N 26 121.469 121.469 118.458 3.011 18868 3872 1 12 . 1 1 26 26 LYS CA C 26 57.600 57.600 56.497 1.103 18868 3873 1 12 . 1 1 26 26 LYS CB C 26 37.800 37.800 33.738 4.062 18868 3874 1 12 . 1 1 26 26 LYS H H 26 9.043 9.043 8.593 0.450 18868 3875 1 12 . 1 1 27 27 HIS N N 27 112.780 112.780 115.777 -2.997 18868 3876 1 12 . 1 1 27 27 HIS C C 27 175.067 175.067 174.625 0.442 18868 3877 1 12 . 1 1 27 27 HIS CA C 27 55.300 55.300 56.934 -1.634 18868 3878 1 12 . 1 1 27 27 HIS CB C 27 30.300 30.300 31.689 -1.389 18868 3879 1 12 . 1 1 27 27 HIS H H 27 8.241 8.241 8.859 -0.618 18868 3880 1 12 . 1 1 28 28 THR N N 28 106.447 106.447 112.368 -5.921 18868 3881 1 12 . 1 1 28 28 THR C C 28 174.469 174.469 173.534 0.935 18868 3882 1 12 . 1 1 28 28 THR CA C 28 60.000 60.000 60.462 -0.462 18868 3883 1 12 . 1 1 28 28 THR H H 28 7.248 7.248 7.433 -0.185 18868 3884 1 12 . 1 1 29 29 LEU N N 29 125.037 125.037 124.192 0.845 18868 3885 1 12 . 1 1 29 29 LEU C C 29 180.751 180.751 176.748 4.003 18868 3886 1 12 . 1 1 29 29 LEU CA C 29 55.200 55.200 53.706 1.494 18868 3887 1 12 . 1 1 29 29 LEU CB C 29 41.800 41.800 44.102 -2.302 18868 3888 1 12 . 1 1 29 29 LEU H H 29 9.421 9.421 9.132 0.289 18868 3889 1 12 . 1 1 30 30 SER N N 30 131.373 131.373 120.449 10.924 18868 3890 1 12 . 1 1 30 30 SER C C 30 177.946 177.946 175.889 2.057 18868 3891 1 12 . 1 1 30 30 SER CA C 30 57.900 57.900 57.702 0.198 18868 3892 1 12 . 1 1 30 30 SER H H 30 9.312 9.312 9.668 -0.356 18868 3893 1 12 . 1 1 31 31 LYS N N 31 117.689 117.689 118.021 -0.332 18868 3894 1 12 . 1 1 31 31 LYS CA C 31 57.800 57.800 57.446 0.354 18868 3895 1 12 . 1 1 31 31 LYS H H 31 9.659 9.659 8.756 0.903 18868 3896 1 12 . 1 1 32 32 LYS C C 32 180.677 180.677 177.939 2.738 18868 3897 1 12 . 1 1 32 32 LYS CA C 32 59.800 59.800 58.188 1.612 18868 3898 1 12 . 1 1 33 33 GLU N N 33 120.336 120.336 120.807 -0.471 18868 3899 1 12 . 1 1 33 33 GLU C C 33 179.654 179.654 178.799 0.855 18868 3900 1 12 . 1 1 33 33 GLU CA C 33 59.300 59.300 59.740 -0.440 18868 3901 1 12 . 1 1 33 33 GLU H H 33 7.608 7.608 7.726 -0.118 18868 3902 1 12 . 1 1 34 34 LEU N N 34 117.303 117.303 120.239 -2.936 18868 3903 1 12 . 1 1 34 34 LEU C C 34 179.420 179.420 177.928 1.492 18868 3904 1 12 . 1 1 34 34 LEU CA C 34 58.200 58.200 57.893 0.307 18868 3905 1 12 . 1 1 34 34 LEU H H 34 7.659 7.659 7.780 -0.121 18868 3906 1 12 . 1 1 35 35 LYS N N 35 116.520 116.520 119.654 -3.134 18868 3907 1 12 . 1 1 35 35 LYS CA C 35 60.700 60.700 60.018 0.682 18868 3908 1 12 . 1 1 35 35 LYS CB C 35 32.000 32.000 31.691 0.309 18868 3909 1 12 . 1 1 35 35 LYS H H 35 7.731 7.731 8.096 -0.365 18868 3910 1 12 . 1 1 36 36 GLU N N 36 118.365 118.365 118.983 -0.618 18868 3911 1 12 . 1 1 36 36 GLU C C 36 177.868 177.868 178.709 -0.841 18868 3912 1 12 . 1 1 36 36 GLU CA C 36 59.700 59.700 58.857 0.843 18868 3913 1 12 . 1 1 36 36 GLU CB C 36 29.300 29.300 29.647 -0.347 18868 3914 1 12 . 1 1 36 36 GLU H H 36 7.871 7.871 7.534 0.337 18868 3915 1 12 . 1 1 37 37 LEU N N 37 121.068 121.068 121.047 0.021 18868 3916 1 12 . 1 1 37 37 LEU C C 37 176.731 176.731 178.385 -1.654 18868 3917 1 12 . 1 1 37 37 LEU CA C 37 59.500 59.500 57.794 1.706 18868 3918 1 12 . 1 1 37 37 LEU CB C 37 42.700 42.700 41.748 0.952 18868 3919 1 12 . 1 1 37 37 LEU H H 37 7.513 7.513 7.267 0.246 18868 3920 1 12 . 1 1 38 38 ILE N N 38 117.867 117.867 118.439 -0.572 18868 3921 1 12 . 1 1 38 38 ILE C C 38 178.658 178.658 178.525 0.133 18868 3922 1 12 . 1 1 38 38 ILE CA C 38 65.300 65.300 65.340 -0.040 18868 3923 1 12 . 1 1 38 38 ILE H H 38 8.206 8.206 8.194 0.012 18868 3924 1 12 . 1 1 39 39 GLN N N 39 114.147 114.147 116.750 -2.603 18868 3925 1 12 . 1 1 39 39 GLN C C 39 180.003 180.003 177.342 2.661 18868 3926 1 12 . 1 1 39 39 GLN CA C 39 59.500 59.500 58.640 0.860 18868 3927 1 12 . 1 1 39 39 GLN H H 39 8.238 8.238 8.060 0.178 18868 3928 1 12 . 1 1 40 40 LYS N N 40 115.051 115.051 118.065 -3.014 18868 3929 1 12 . 1 1 40 40 LYS C C 40 180.483 180.483 177.889 2.594 18868 3930 1 12 . 1 1 40 40 LYS CA C 40 57.500 57.500 57.670 -0.170 18868 3931 1 12 . 1 1 40 40 LYS H H 40 8.298 8.298 7.523 0.775 18868 3932 1 12 . 1 1 41 41 GLU N N 41 112.448 112.448 117.227 -4.779 18868 3933 1 12 . 1 1 41 41 GLU C C 41 178.252 178.252 176.672 1.580 18868 3934 1 12 . 1 1 41 41 GLU CA C 41 55.700 55.700 56.112 -0.412 18868 3935 1 12 . 1 1 41 41 GLU H H 41 8.328 8.328 8.386 -0.058 18868 3936 1 12 . 1 1 42 42 LEU N N 42 118.693 118.693 121.946 -3.253 18868 3937 1 12 . 1 1 42 42 LEU C C 42 179.377 179.377 177.112 2.265 18868 3938 1 12 . 1 1 42 42 LEU CA C 42 53.300 53.300 53.982 -0.682 18868 3939 1 12 . 1 1 42 42 LEU H H 42 7.361 7.361 7.421 -0.060 18868 3940 1 12 . 1 1 43 43 THR N N 43 125.535 125.535 121.868 3.667 18868 3941 1 12 . 1 1 43 43 THR C C 43 180.403 180.403 176.455 3.948 18868 3942 1 12 . 1 1 43 43 THR CA C 43 67.300 67.300 66.585 0.715 18868 3943 1 12 . 1 1 43 43 THR H H 43 9.926 9.926 8.745 1.181 18868 3944 1 12 . 1 1 44 44 ILE N N 44 116.467 116.467 121.358 -4.891 18868 3945 1 12 . 1 1 44 44 ILE C C 44 178.107 178.107 177.668 0.439 18868 3946 1 12 . 1 1 44 44 ILE CA C 44 62.400 62.400 61.528 0.872 18868 3947 1 12 . 1 1 44 44 ILE CB C 44 38.300 38.300 37.874 0.426 18868 3948 1 12 . 1 1 44 44 ILE H H 44 8.214 8.214 8.056 0.158 18868 3949 1 12 . 1 1 45 45 GLY N N 45 108.241 108.241 109.605 -1.364 18868 3950 1 12 . 1 1 45 45 GLY C C 45 176.355 176.355 176.180 0.175 18868 3951 1 12 . 1 1 45 45 GLY CA C 45 47.400 47.400 47.315 0.085 18868 3952 1 12 . 1 1 45 45 GLY H H 45 7.750 7.750 8.664 -0.914 18868 3953 1 12 . 1 1 46 46 SER N N 46 113.635 113.635 114.928 -1.293 18868 3954 1 12 . 1 1 46 46 SER C C 46 176.007 176.007 174.828 1.179 18868 3955 1 12 . 1 1 46 46 SER CA C 46 60.100 60.100 59.903 0.197 18868 3956 1 12 . 1 1 46 46 SER H H 46 7.847 7.847 7.945 -0.098 18868 3957 1 12 . 1 1 47 47 LYS N N 47 119.437 119.437 120.141 -0.704 18868 3958 1 12 . 1 1 47 47 LYS C C 47 178.100 178.100 175.613 2.487 18868 3959 1 12 . 1 1 47 47 LYS CA C 47 56.000 56.000 55.900 0.100 18868 3960 1 12 . 1 1 47 47 LYS CB C 47 33.400 33.400 33.150 0.250 18868 3961 1 12 . 1 1 47 47 LYS H H 47 7.709 7.709 7.685 0.024 18868 3962 1 12 . 1 1 48 48 LEU N N 48 120.169 120.169 120.634 -0.465 18868 3963 1 12 . 1 1 48 48 LEU C C 48 178.009 178.009 176.514 1.495 18868 3964 1 12 . 1 1 48 48 LEU CA C 48 55.000 55.000 53.885 1.115 18868 3965 1 12 . 1 1 48 48 LEU H H 48 7.139 7.139 7.388 -0.249 18868 3966 1 12 . 1 1 49 49 GLN N N 49 121.739 121.739 118.989 2.750 18868 3967 1 12 . 1 1 49 49 GLN C C 49 179.051 179.051 176.554 2.497 18868 3968 1 12 . 1 1 49 49 GLN CA C 49 55.800 55.800 55.442 0.358 18868 3969 1 12 . 1 1 49 49 GLN H H 49 7.917 7.917 8.224 -0.307 18868 3970 1 12 . 1 1 50 50 ASP N N 50 119.121 119.121 122.777 -3.656 18868 3971 1 12 . 1 1 50 50 ASP C C 50 178.335 178.335 177.637 0.698 18868 3972 1 12 . 1 1 50 50 ASP CA C 50 59.300 59.300 57.775 1.526 18868 3973 1 12 . 1 1 50 50 ASP H H 50 7.597 7.597 8.969 -1.372 18868 3974 1 12 . 1 1 51 51 ALA N N 51 116.624 116.624 121.371 -4.747 18868 3975 1 12 . 1 1 51 51 ALA C C 51 181.587 181.587 179.743 1.844 18868 3976 1 12 . 1 1 51 51 ALA CA C 51 57.700 57.700 55.034 2.666 18868 3977 1 12 . 1 1 51 51 ALA H H 51 7.560 7.560 8.481 -0.921 18868 3978 1 12 . 1 1 52 52 GLU N N 52 118.931 118.931 119.021 -0.090 18868 3979 1 12 . 1 1 52 52 GLU C C 52 180.495 180.495 179.128 1.367 18868 3980 1 12 . 1 1 52 52 GLU CA C 52 58.900 58.900 59.052 -0.152 18868 3981 1 12 . 1 1 52 52 GLU H H 52 8.511 8.511 8.334 0.177 18868 3982 1 12 . 1 1 53 53 ILE N N 53 120.400 120.400 120.068 0.332 18868 3983 1 12 . 1 1 53 53 ILE CA C 53 59.000 59.000 65.125 -6.125 18868 3984 1 12 . 1 1 53 53 ILE H H 53 7.905 7.905 8.328 -0.423 18868 3985 1 12 . 1 1 54 54 ALA C C 54 181.477 181.477 179.128 2.349 18868 3986 1 12 . 1 1 54 54 ALA CA C 54 55.600 55.600 55.315 0.285 18868 3987 1 12 . 1 1 55 55 ARG N N 55 118.315 118.315 119.288 -0.973 18868 3988 1 12 . 1 1 55 55 ARG C C 55 179.468 179.468 178.567 0.901 18868 3989 1 12 . 1 1 55 55 ARG CA C 55 59.100 59.100 59.076 0.024 18868 3990 1 12 . 1 1 55 55 ARG H H 55 7.448 7.448 7.933 -0.485 18868 3991 1 12 . 1 1 56 56 LEU N N 56 120.310 120.310 121.023 -0.713 18868 3992 1 12 . 1 1 56 56 LEU C C 56 179.984 179.984 178.610 1.374 18868 3993 1 12 . 1 1 56 56 LEU CA C 56 58.000 58.000 57.934 0.066 18868 3994 1 12 . 1 1 56 56 LEU H H 56 7.672 7.672 8.268 -0.596 18868 3995 1 12 . 1 1 57 57 MET N N 57 115.780 115.780 117.021 -1.241 18868 3996 1 12 . 1 1 57 57 MET C C 57 179.083 179.083 178.696 0.387 18868 3997 1 12 . 1 1 57 57 MET H H 57 8.354 8.354 8.410 -0.056 18868 3998 1 12 . 1 1 58 58 GLU N N 58 117.826 117.826 119.314 -1.488 18868 3999 1 12 . 1 1 58 58 GLU C C 58 179.161 179.161 178.005 1.156 18868 4000 1 12 . 1 1 58 58 GLU CA C 58 59.300 59.300 58.331 0.969 18868 4001 1 12 . 1 1 58 58 GLU CB C 58 31.100 31.100 29.312 1.788 18868 4002 1 12 . 1 1 58 58 GLU H H 58 7.620 7.620 7.844 -0.224 18868 4003 1 12 . 1 1 59 59 ASP N N 59 117.801 117.801 121.242 -3.441 18868 4004 1 12 . 1 1 59 59 ASP CA C 59 57.200 57.200 56.777 0.423 18868 4005 1 12 . 1 1 59 59 ASP H H 59 8.693 8.693 7.964 0.729 18868 4006 1 12 . 1 1 60 60 LEU N N 60 117.370 117.370 118.203 -0.833 18868 4007 1 12 . 1 1 60 60 LEU C C 60 179.216 179.216 176.760 2.456 18868 4008 1 12 . 1 1 60 60 LEU CA C 60 56.200 56.200 56.970 -0.770 18868 4009 1 12 . 1 1 60 60 LEU H H 60 8.159 8.159 8.040 0.119 18868 4010 1 12 . 1 1 61 61 ASP N N 61 117.835 117.835 117.765 0.070 18868 4011 1 12 . 1 1 61 61 ASP C C 61 178.473 178.473 175.977 2.496 18868 4012 1 12 . 1 1 61 61 ASP CA C 61 52.800 52.800 54.842 -2.042 18868 4013 1 12 . 1 1 61 61 ASP CB C 61 39.100 39.100 40.102 -1.002 18868 4014 1 12 . 1 1 61 61 ASP H H 61 7.559 7.559 7.893 -0.334 18868 4015 1 12 . 1 1 62 62 ARG N N 62 125.783 125.783 124.373 1.410 18868 4016 1 12 . 1 1 62 62 ARG C C 62 178.519 178.519 176.799 1.720 18868 4017 1 12 . 1 1 62 62 ARG CA C 62 58.500 58.500 56.694 1.806 18868 4018 1 12 . 1 1 62 62 ARG CB C 62 30.200 30.200 30.453 -0.254 18868 4019 1 12 . 1 1 62 62 ARG H H 62 7.839 7.839 8.102 -0.263 18868 4020 1 12 . 1 1 63 63 ASN N N 63 112.348 112.348 115.501 -3.153 18868 4021 1 12 . 1 1 63 63 ASN C C 63 175.597 175.597 175.611 -0.014 18868 4022 1 12 . 1 1 63 63 ASN CA C 63 51.900 51.900 53.142 -1.242 18868 4023 1 12 . 1 1 63 63 ASN CB C 63 36.700 36.700 38.268 -1.568 18868 4024 1 12 . 1 1 63 63 ASN H H 63 7.899 7.899 7.869 0.030 18868 4025 1 12 . 1 1 64 64 LYS N N 64 114.407 114.407 116.932 -2.525 18868 4026 1 12 . 1 1 64 64 LYS C C 64 176.731 176.731 175.365 1.366 18868 4027 1 12 . 1 1 64 64 LYS CA C 64 59.500 59.500 57.386 2.114 18868 4028 1 12 . 1 1 64 64 LYS H H 64 7.485 7.485 8.420 -0.935 18868 4029 1 12 . 1 1 65 65 ASP N N 65 117.880 117.880 119.087 -1.207 18868 4030 1 12 . 1 1 65 65 ASP C C 65 177.981 177.981 176.432 1.549 18868 4031 1 12 . 1 1 65 65 ASP CA C 65 52.900 52.900 55.009 -2.109 18868 4032 1 12 . 1 1 65 65 ASP H H 65 8.184 8.184 8.892 -0.708 18868 4033 1 12 . 1 1 66 66 GLN N N 66 114.037 114.037 114.608 -0.571 18868 4034 1 12 . 1 1 66 66 GLN C C 66 175.374 175.374 173.902 1.472 18868 4035 1 12 . 1 1 66 66 GLN CA C 66 57.900 57.900 57.601 0.299 18868 4036 1 12 . 1 1 66 66 GLN CB C 66 26.200 26.200 26.185 0.015 18868 4037 1 12 . 1 1 66 66 GLN H H 66 9.917 9.917 8.186 1.731 18868 4038 1 12 . 1 1 67 67 GLU N N 67 117.611 117.611 117.093 0.518 18868 4039 1 12 . 1 1 67 67 GLU C C 67 176.826 176.826 175.316 1.510 18868 4040 1 12 . 1 1 67 67 GLU CA C 67 54.000 54.000 54.775 -0.775 18868 4041 1 12 . 1 1 67 67 GLU CB C 67 33.100 33.100 32.683 0.417 18868 4042 1 12 . 1 1 67 67 GLU H H 67 7.800 7.800 7.857 -0.057 18868 4043 1 12 . 1 1 68 68 VAL N N 68 126.064 126.064 125.650 0.414 18868 4044 1 12 . 1 1 68 68 VAL C C 68 177.398 177.398 175.643 1.755 18868 4045 1 12 . 1 1 68 68 VAL CA C 68 61.100 61.100 62.219 -1.119 18868 4046 1 12 . 1 1 68 68 VAL CB C 68 33.300 33.300 31.156 2.144 18868 4047 1 12 . 1 1 68 68 VAL H H 68 9.656 9.656 8.856 0.800 18868 4048 1 12 . 1 1 69 69 ASN N N 69 127.002 127.002 126.749 0.253 18868 4049 1 12 . 1 1 69 69 ASN C C 69 175.438 175.438 175.911 -0.473 18868 4050 1 12 . 1 1 69 69 ASN CA C 69 51.200 51.200 51.743 -0.543 18868 4051 1 12 . 1 1 69 69 ASN H H 69 9.036 9.036 9.432 -0.396 18868 4052 1 12 . 1 1 70 70 PHE N N 70 119.437 119.437 119.513 -0.076 18868 4053 1 12 . 1 1 70 70 PHE C C 70 177.652 177.652 177.390 0.262 18868 4054 1 12 . 1 1 70 70 PHE CA C 70 63.300 63.300 62.434 0.866 18868 4055 1 12 . 1 1 70 70 PHE H H 70 9.055 9.055 9.220 -0.165 18868 4056 1 12 . 1 1 71 71 GLN N N 71 117.576 117.576 117.171 0.405 18868 4057 1 12 . 1 1 71 71 GLN C C 71 180.488 180.488 178.505 1.983 18868 4058 1 12 . 1 1 71 71 GLN CA C 71 60.100 60.100 59.675 0.425 18868 4059 1 12 . 1 1 71 71 GLN CB C 71 27.900 27.900 28.236 -0.336 18868 4060 1 12 . 1 1 71 71 GLN H H 71 8.273 8.273 8.589 -0.316 18868 4061 1 12 . 1 1 72 72 GLU N N 72 119.971 119.971 120.757 -0.786 18868 4062 1 12 . 1 1 72 72 GLU C C 72 179.001 179.001 178.903 0.098 18868 4063 1 12 . 1 1 72 72 GLU CA C 72 58.700 58.700 59.868 -1.168 18868 4064 1 12 . 1 1 72 72 GLU H H 72 8.631 8.631 7.666 0.965 18868 4065 1 12 . 1 1 73 73 TYR N N 73 120.475 120.475 121.011 -0.536 18868 4066 1 12 . 1 1 73 73 TYR C C 73 180.040 180.040 177.484 2.556 18868 4067 1 12 . 1 1 73 73 TYR H H 73 7.721 7.721 7.893 -0.172 18868 4068 1 12 . 1 1 74 74 VAL N N 74 119.604 119.604 118.031 1.573 18868 4069 1 12 . 1 1 74 74 VAL C C 74 177.821 177.821 178.002 -0.181 18868 4070 1 12 . 1 1 74 74 VAL CA C 74 60.200 60.200 66.717 -6.517 18868 4071 1 12 . 1 1 74 74 VAL CB C 74 33.800 33.800 31.093 2.707 18868 4072 1 12 . 1 1 74 74 VAL H H 74 8.147 8.147 8.104 0.043 18868 4073 1 12 . 1 1 75 75 THR N N 75 124.638 124.638 117.167 7.471 18868 4074 1 12 . 1 1 75 75 THR C C 75 179.971 179.971 176.535 3.436 18868 4075 1 12 . 1 1 75 75 THR CA C 75 60.600 60.600 66.517 -5.917 18868 4076 1 12 . 1 1 75 75 THR H H 75 7.714 7.714 7.745 -0.031 18868 4077 1 12 . 1 1 76 76 PHE N N 76 116.963 116.963 123.073 -6.110 18868 4078 1 12 . 1 1 76 76 PHE C C 76 177.695 177.695 176.625 1.070 18868 4079 1 12 . 1 1 76 76 PHE CA C 76 60.000 60.000 60.813 -0.813 18868 4080 1 12 . 1 1 76 76 PHE H H 76 7.864 7.864 7.712 0.152 18868 4081 1 12 . 1 1 77 77 LEU N N 77 117.568 117.568 118.511 -0.943 18868 4082 1 12 . 1 1 77 77 LEU C C 77 180.668 180.668 178.952 1.716 18868 4083 1 12 . 1 1 77 77 LEU CA C 77 57.800 57.800 57.460 0.340 18868 4084 1 12 . 1 1 77 77 LEU H H 77 7.913 7.913 7.879 0.034 18868 4085 1 12 . 1 1 78 78 GLY N N 78 104.257 104.257 106.497 -2.240 18868 4086 1 12 . 1 1 78 78 GLY C C 78 176.062 176.062 175.364 0.698 18868 4087 1 12 . 1 1 78 78 GLY CA C 78 47.600 47.600 47.030 0.570 18868 4088 1 12 . 1 1 78 78 GLY H H 78 8.057 8.057 8.290 -0.233 18868 4089 1 12 . 1 1 79 79 ALA N N 79 124.122 124.122 124.945 -0.823 18868 4090 1 12 . 1 1 79 79 ALA C C 79 182.313 182.313 179.613 2.700 18868 4091 1 12 . 1 1 79 79 ALA CA C 79 55.100 55.100 54.771 0.329 18868 4092 1 12 . 1 1 79 79 ALA H H 79 7.804 7.804 7.590 0.214 18868 4093 1 12 . 1 1 80 80 LEU N N 80 117.976 117.976 118.833 -0.857 18868 4094 1 12 . 1 1 80 80 LEU C C 80 178.389 178.389 179.086 -0.697 18868 4095 1 12 . 1 1 80 80 LEU CA C 80 57.400 57.400 57.496 -0.096 18868 4096 1 12 . 1 1 80 80 LEU H H 80 8.045 8.045 7.610 0.435 18868 4097 1 12 . 1 1 81 81 ALA N N 81 121.199 121.199 122.018 -0.819 18868 4098 1 12 . 1 1 81 81 ALA C C 81 181.617 181.617 179.722 1.895 18868 4099 1 12 . 1 1 81 81 ALA CA C 81 55.300 55.300 55.040 0.260 18868 4100 1 12 . 1 1 81 81 ALA H H 81 8.152 8.152 8.050 0.102 18868 4101 1 12 . 1 1 82 82 LEU N N 82 117.392 117.392 119.485 -2.093 18868 4102 1 12 . 1 1 82 82 LEU C C 82 180.828 180.828 179.081 1.747 18868 4103 1 12 . 1 1 82 82 LEU CA C 82 58.800 58.800 57.904 0.896 18868 4104 1 12 . 1 1 82 82 LEU H H 82 7.238 7.238 7.834 -0.596 18868 4105 1 12 . 1 1 83 83 ILE N N 83 124.342 124.342 119.329 5.013 18868 4106 1 12 . 1 1 83 83 ILE C C 83 177.495 177.495 178.208 -0.713 18868 4107 1 12 . 1 1 83 83 ILE CA C 83 60.500 60.500 65.440 -4.940 18868 4108 1 12 . 1 1 83 83 ILE H H 83 8.726 8.726 7.654 1.072 18868 4109 1 12 . 1 1 84 84 TYR N N 84 120.026 120.026 118.274 1.752 18868 4110 1 12 . 1 1 84 84 TYR C C 84 177.236 177.236 177.853 -0.617 18868 4111 1 12 . 1 1 84 84 TYR CA C 84 56.900 56.900 61.803 -4.903 18868 4112 1 12 . 1 1 84 84 TYR H H 84 8.241 8.241 8.099 0.142 18868 4113 1 12 . 1 1 85 85 ASN N N 85 117.125 117.125 116.227 0.898 18868 4114 1 12 . 1 1 85 85 ASN C C 85 175.508 175.508 178.204 -2.696 18868 4115 1 12 . 1 1 85 85 ASN CA C 85 56.600 56.600 55.370 1.230 18868 4116 1 12 . 1 1 85 85 ASN H H 85 7.681 7.681 7.766 -0.085 18868 4117 1 12 . 1 1 86 86 GLU N N 86 119.756 119.756 120.746 -0.990 18868 4118 1 12 . 1 1 86 86 GLU C C 86 177.821 177.821 178.725 -0.904 18868 4119 1 12 . 1 1 86 86 GLU H H 86 8.790 8.790 8.524 0.266 18868 4120 1 12 . 1 1 87 87 ALA N N 87 112.780 112.780 120.875 -8.095 18868 4121 1 12 . 1 1 87 87 ALA H H 87 8.241 8.241 7.700 0.541 18868 4122 1 12 . 1 1 88 88 LEU N N 88 118.627 118.627 117.010 1.617 18868 4123 1 12 . 1 1 88 88 LEU CA C 88 57.900 57.900 54.767 3.133 18868 4124 1 12 . 1 1 88 88 LEU H H 88 8.384 8.384 7.429 0.955 18868 4125 1 12 . 1 1 89 89 LYS N N 89 118.552 118.552 120.624 -2.072 18868 4126 1 12 . 1 1 89 89 LYS C C 89 177.332 177.332 176.587 0.745 18868 4127 1 12 . 1 1 89 89 LYS CA C 89 56.900 56.900 56.110 0.790 18868 4128 1 12 . 1 1 89 89 LYS H H 89 7.854 7.854 7.535 0.319 18868 4129 1 13 . 1 1 3 3 SER N N 3 118.627 118.627 117.677 0.950 18868 4130 1 13 . 1 1 3 3 SER H H 3 8.384 8.384 8.504 -0.120 18868 4131 1 13 . 1 1 4 4 PRO C C 4 180.814 180.814 178.763 2.051 18868 4132 1 13 . 1 1 4 4 PRO CA C 4 66.500 66.500 65.906 0.594 18868 4133 1 13 . 1 1 5 5 LEU N N 5 119.501 119.501 118.643 0.858 18868 4134 1 13 . 1 1 5 5 LEU C C 5 179.272 179.272 178.564 0.708 18868 4135 1 13 . 1 1 5 5 LEU CA C 5 58.600 58.600 58.468 0.132 18868 4136 1 13 . 1 1 5 5 LEU H H 5 9.386 9.386 8.118 1.268 18868 4137 1 13 . 1 1 6 6 ASP N N 6 119.191 119.191 118.769 0.422 18868 4138 1 13 . 1 1 6 6 ASP C C 6 182.313 182.313 179.086 3.227 18868 4139 1 13 . 1 1 6 6 ASP CA C 6 58.000 58.000 57.740 0.259 18868 4140 1 13 . 1 1 6 6 ASP H H 6 7.912 7.912 8.444 -0.532 18868 4141 1 13 . 1 1 7 7 GLN N N 7 117.979 117.979 118.799 -0.820 18868 4142 1 13 . 1 1 7 7 GLN C C 7 179.998 179.998 178.468 1.530 18868 4143 1 13 . 1 1 7 7 GLN CA C 7 58.900 58.900 58.600 0.300 18868 4144 1 13 . 1 1 7 7 GLN H H 7 8.065 8.065 8.487 -0.422 18868 4145 1 13 . 1 1 8 8 ALA N N 8 124.008 124.008 123.545 0.463 18868 4146 1 13 . 1 1 8 8 ALA CA C 8 55.500 55.500 55.308 0.192 18868 4147 1 13 . 1 1 8 8 ALA H H 8 8.159 8.159 8.223 -0.064 18868 4148 1 13 . 1 1 9 9 ILE C C 9 179.258 179.258 178.468 0.790 18868 4149 1 13 . 1 1 9 9 ILE CA C 9 64.900 64.900 62.849 2.051 18868 4150 1 13 . 1 1 10 10 GLY N N 10 105.447 105.447 108.385 -2.938 18868 4151 1 13 . 1 1 10 10 GLY C C 10 177.984 177.984 176.332 1.652 18868 4152 1 13 . 1 1 10 10 GLY CA C 10 47.300 47.300 47.212 0.088 18868 4153 1 13 . 1 1 10 10 GLY H H 10 8.062 8.062 8.426 -0.364 18868 4154 1 13 . 1 1 11 11 LEU N N 11 124.755 124.755 123.110 1.645 18868 4155 1 13 . 1 1 11 11 LEU C C 11 178.346 178.346 178.493 -0.147 18868 4156 1 13 . 1 1 11 11 LEU CA C 11 58.000 58.000 57.468 0.532 18868 4157 1 13 . 1 1 11 11 LEU H H 11 8.067 8.067 8.045 0.022 18868 4158 1 13 . 1 1 12 12 LEU N N 12 121.609 121.609 119.197 2.412 18868 4159 1 13 . 1 1 12 12 LEU C C 12 182.560 182.560 179.586 2.974 18868 4160 1 13 . 1 1 12 12 LEU CA C 12 59.000 59.000 58.374 0.626 18868 4161 1 13 . 1 1 12 12 LEU H H 12 7.997 7.997 7.931 0.066 18868 4162 1 13 . 1 1 13 13 VAL N N 13 119.951 119.951 118.938 1.013 18868 4163 1 13 . 1 1 13 13 VAL C C 13 178.016 178.016 177.787 0.229 18868 4164 1 13 . 1 1 13 13 VAL CA C 13 67.100 67.100 66.782 0.318 18868 4165 1 13 . 1 1 13 13 VAL H H 13 8.087 8.087 8.053 0.034 18868 4166 1 13 . 1 1 14 14 ALA N N 14 122.867 122.867 122.861 0.006 18868 4167 1 13 . 1 1 14 14 ALA C C 14 175.380 175.380 179.321 -3.941 18868 4168 1 13 . 1 1 14 14 ALA CA C 14 55.600 55.600 55.214 0.386 18868 4169 1 13 . 1 1 14 14 ALA H H 14 8.363 8.363 7.749 0.614 18868 4170 1 13 . 1 1 15 15 ILE N N 15 118.496 118.496 117.894 0.602 18868 4171 1 13 . 1 1 15 15 ILE C C 15 178.058 178.058 177.791 0.267 18868 4172 1 13 . 1 1 15 15 ILE CA C 15 64.800 64.800 64.849 -0.049 18868 4173 1 13 . 1 1 15 15 ILE H H 15 8.787 8.787 7.880 0.907 18868 4174 1 13 . 1 1 16 16 PHE N N 16 119.259 119.259 120.854 -1.595 18868 4175 1 13 . 1 1 16 16 PHE H H 16 7.171 7.171 7.888 -0.717 18868 4176 1 13 . 1 1 17 17 HIS C C 17 178.660 178.660 176.997 1.663 18868 4177 1 13 . 1 1 17 17 HIS CA C 17 54.800 54.800 55.823 -1.023 18868 4178 1 13 . 1 1 17 17 HIS CB C 17 30.000 30.000 29.143 0.857 18868 4179 1 13 . 1 1 18 18 LYS N N 18 122.924 122.924 120.820 2.104 18868 4180 1 13 . 1 1 18 18 LYS C C 18 180.221 180.221 176.794 3.427 18868 4181 1 13 . 1 1 18 18 LYS CA C 18 58.800 58.800 58.183 0.617 18868 4182 1 13 . 1 1 18 18 LYS CB C 18 40.200 40.200 32.543 7.657 18868 4183 1 13 . 1 1 18 18 LYS H H 18 8.880 8.880 7.536 1.344 18868 4184 1 13 . 1 1 19 19 TYR N N 19 120.227 120.227 115.189 5.038 18868 4185 1 13 . 1 1 19 19 TYR C C 19 178.435 178.435 174.877 3.558 18868 4186 1 13 . 1 1 19 19 TYR CA C 19 55.300 55.300 58.226 -2.926 18868 4187 1 13 . 1 1 19 19 TYR H H 19 8.879 8.879 7.487 1.392 18868 4188 1 13 . 1 1 20 20 SER N N 20 119.760 119.760 114.578 5.182 18868 4189 1 13 . 1 1 20 20 SER C C 20 178.376 178.376 175.449 2.927 18868 4190 1 13 . 1 1 20 20 SER CA C 20 56.900 56.900 58.775 -1.875 18868 4191 1 13 . 1 1 20 20 SER CB C 20 61.700 61.700 62.170 -0.470 18868 4192 1 13 . 1 1 20 20 SER H H 20 7.557 7.557 7.476 0.081 18868 4193 1 13 . 1 1 21 21 GLY N N 21 111.202 111.202 114.885 -3.683 18868 4194 1 13 . 1 1 21 21 GLY C C 21 174.862 174.862 174.157 0.705 18868 4195 1 13 . 1 1 21 21 GLY CA C 21 45.600 45.600 44.915 0.685 18868 4196 1 13 . 1 1 21 21 GLY H H 21 7.696 7.696 8.698 -1.002 18868 4197 1 13 . 1 1 22 22 ARG N N 22 122.200 122.200 119.007 3.193 18868 4198 1 13 . 1 1 22 22 ARG C C 22 178.336 178.336 176.110 2.226 18868 4199 1 13 . 1 1 22 22 ARG CA C 22 59.500 59.500 57.288 2.212 18868 4200 1 13 . 1 1 22 22 ARG CB C 22 30.500 30.500 31.534 -1.034 18868 4201 1 13 . 1 1 22 22 ARG H H 22 7.311 7.311 9.018 -1.707 18868 4202 1 13 . 1 1 23 23 GLU N N 23 115.984 115.984 116.078 -0.094 18868 4203 1 13 . 1 1 23 23 GLU C C 23 177.129 177.129 175.883 1.246 18868 4204 1 13 . 1 1 23 23 GLU CA C 23 54.300 54.300 55.610 -1.310 18868 4205 1 13 . 1 1 23 23 GLU CB C 23 33.200 33.200 32.194 1.006 18868 4206 1 13 . 1 1 23 23 GLU H H 23 9.488 9.488 8.049 1.439 18868 4207 1 13 . 1 1 24 24 GLY N N 24 114.031 114.031 112.006 2.025 18868 4208 1 13 . 1 1 24 24 GLY C C 24 174.499 174.499 173.664 0.835 18868 4209 1 13 . 1 1 24 24 GLY CA C 24 45.900 45.900 45.627 0.273 18868 4210 1 13 . 1 1 24 24 GLY H H 24 9.048 9.048 8.649 0.399 18868 4211 1 13 . 1 1 25 25 ASP N N 25 125.634 125.634 121.576 4.058 18868 4212 1 13 . 1 1 25 25 ASP C C 25 177.998 177.998 174.876 3.122 18868 4213 1 13 . 1 1 25 25 ASP CA C 25 55.000 55.000 53.030 1.970 18868 4214 1 13 . 1 1 25 25 ASP H H 25 8.249 8.249 7.973 0.276 18868 4215 1 13 . 1 1 26 26 LYS N N 26 121.469 121.469 118.835 2.634 18868 4216 1 13 . 1 1 26 26 LYS CA C 26 57.600 57.600 56.036 1.564 18868 4217 1 13 . 1 1 26 26 LYS CB C 26 37.800 37.800 33.294 4.506 18868 4218 1 13 . 1 1 26 26 LYS H H 26 9.043 9.043 8.584 0.459 18868 4219 1 13 . 1 1 27 27 HIS N N 27 112.780 112.780 114.982 -2.202 18868 4220 1 13 . 1 1 27 27 HIS C C 27 175.067 175.067 173.855 1.212 18868 4221 1 13 . 1 1 27 27 HIS CA C 27 55.300 55.300 56.690 -1.390 18868 4222 1 13 . 1 1 27 27 HIS CB C 27 30.300 30.300 31.547 -1.247 18868 4223 1 13 . 1 1 27 27 HIS H H 27 8.241 8.241 8.483 -0.242 18868 4224 1 13 . 1 1 28 28 THR N N 28 106.447 106.447 111.147 -4.700 18868 4225 1 13 . 1 1 28 28 THR C C 28 174.469 174.469 173.427 1.042 18868 4226 1 13 . 1 1 28 28 THR CA C 28 60.000 60.000 60.495 -0.495 18868 4227 1 13 . 1 1 28 28 THR H H 28 7.248 7.248 7.522 -0.274 18868 4228 1 13 . 1 1 29 29 LEU N N 29 125.037 125.037 124.930 0.107 18868 4229 1 13 . 1 1 29 29 LEU C C 29 180.751 180.751 176.261 4.490 18868 4230 1 13 . 1 1 29 29 LEU CA C 29 55.200 55.200 53.737 1.463 18868 4231 1 13 . 1 1 29 29 LEU CB C 29 41.800 41.800 44.276 -2.476 18868 4232 1 13 . 1 1 29 29 LEU H H 29 9.421 9.421 9.137 0.284 18868 4233 1 13 . 1 1 30 30 SER N N 30 131.373 131.373 119.659 11.714 18868 4234 1 13 . 1 1 30 30 SER C C 30 177.946 177.946 176.081 1.865 18868 4235 1 13 . 1 1 30 30 SER CA C 30 57.900 57.900 57.649 0.251 18868 4236 1 13 . 1 1 30 30 SER H H 30 9.312 9.312 9.434 -0.122 18868 4237 1 13 . 1 1 31 31 LYS N N 31 117.689 117.689 118.483 -0.794 18868 4238 1 13 . 1 1 31 31 LYS CA C 31 57.800 57.800 57.649 0.151 18868 4239 1 13 . 1 1 31 31 LYS H H 31 9.659 9.659 8.821 0.838 18868 4240 1 13 . 1 1 32 32 LYS C C 32 180.677 180.677 178.016 2.661 18868 4241 1 13 . 1 1 32 32 LYS CA C 32 59.800 59.800 58.370 1.431 18868 4242 1 13 . 1 1 33 33 GLU N N 33 120.336 120.336 120.658 -0.322 18868 4243 1 13 . 1 1 33 33 GLU C C 33 179.654 179.654 178.852 0.802 18868 4244 1 13 . 1 1 33 33 GLU CA C 33 59.300 59.300 59.652 -0.352 18868 4245 1 13 . 1 1 33 33 GLU H H 33 7.608 7.608 7.670 -0.062 18868 4246 1 13 . 1 1 34 34 LEU N N 34 117.303 117.303 120.787 -3.484 18868 4247 1 13 . 1 1 34 34 LEU C C 34 179.420 179.420 178.051 1.369 18868 4248 1 13 . 1 1 34 34 LEU CA C 34 58.200 58.200 58.207 -0.007 18868 4249 1 13 . 1 1 34 34 LEU H H 34 7.659 7.659 8.097 -0.438 18868 4250 1 13 . 1 1 35 35 LYS N N 35 116.520 116.520 119.179 -2.659 18868 4251 1 13 . 1 1 35 35 LYS CA C 35 60.700 60.700 59.965 0.735 18868 4252 1 13 . 1 1 35 35 LYS CB C 35 32.000 32.000 31.703 0.297 18868 4253 1 13 . 1 1 35 35 LYS H H 35 7.731 7.731 8.196 -0.465 18868 4254 1 13 . 1 1 36 36 GLU N N 36 118.365 118.365 118.944 -0.579 18868 4255 1 13 . 1 1 36 36 GLU C C 36 177.868 177.868 178.326 -0.458 18868 4256 1 13 . 1 1 36 36 GLU CA C 36 59.700 59.700 58.763 0.937 18868 4257 1 13 . 1 1 36 36 GLU CB C 36 29.300 29.300 29.718 -0.418 18868 4258 1 13 . 1 1 36 36 GLU H H 36 7.871 7.871 7.442 0.429 18868 4259 1 13 . 1 1 37 37 LEU N N 37 121.068 121.068 120.182 0.886 18868 4260 1 13 . 1 1 37 37 LEU C C 37 176.731 176.731 178.288 -1.557 18868 4261 1 13 . 1 1 37 37 LEU CA C 37 59.500 59.500 57.510 1.990 18868 4262 1 13 . 1 1 37 37 LEU CB C 37 42.700 42.700 41.881 0.819 18868 4263 1 13 . 1 1 37 37 LEU H H 37 7.513 7.513 7.292 0.221 18868 4264 1 13 . 1 1 38 38 ILE N N 38 117.867 117.867 117.950 -0.083 18868 4265 1 13 . 1 1 38 38 ILE C C 38 178.658 178.658 178.543 0.115 18868 4266 1 13 . 1 1 38 38 ILE CA C 38 65.300 65.300 65.129 0.171 18868 4267 1 13 . 1 1 38 38 ILE H H 38 8.206 8.206 8.018 0.188 18868 4268 1 13 . 1 1 39 39 GLN N N 39 114.147 114.147 116.491 -2.344 18868 4269 1 13 . 1 1 39 39 GLN C C 39 180.003 180.003 176.833 3.170 18868 4270 1 13 . 1 1 39 39 GLN CA C 39 59.500 59.500 57.966 1.534 18868 4271 1 13 . 1 1 39 39 GLN H H 39 8.238 8.238 7.953 0.285 18868 4272 1 13 . 1 1 40 40 LYS N N 40 115.051 115.051 119.198 -4.147 18868 4273 1 13 . 1 1 40 40 LYS C C 40 180.483 180.483 177.625 2.858 18868 4274 1 13 . 1 1 40 40 LYS CA C 40 57.500 57.500 57.687 -0.187 18868 4275 1 13 . 1 1 40 40 LYS H H 40 8.298 8.298 7.615 0.683 18868 4276 1 13 . 1 1 41 41 GLU N N 41 112.448 112.448 117.457 -5.009 18868 4277 1 13 . 1 1 41 41 GLU C C 41 178.252 178.252 177.074 1.178 18868 4278 1 13 . 1 1 41 41 GLU CA C 41 55.700 55.700 56.826 -1.126 18868 4279 1 13 . 1 1 41 41 GLU H H 41 8.328 8.328 8.352 -0.024 18868 4280 1 13 . 1 1 42 42 LEU N N 42 118.693 118.693 121.601 -2.908 18868 4281 1 13 . 1 1 42 42 LEU C C 42 179.377 179.377 177.078 2.299 18868 4282 1 13 . 1 1 42 42 LEU CA C 42 53.300 53.300 53.759 -0.459 18868 4283 1 13 . 1 1 42 42 LEU H H 42 7.361 7.361 7.415 -0.054 18868 4284 1 13 . 1 1 43 43 THR N N 43 125.535 125.535 122.210 3.325 18868 4285 1 13 . 1 1 43 43 THR C C 43 180.403 180.403 176.307 4.096 18868 4286 1 13 . 1 1 43 43 THR CA C 43 67.300 67.300 66.475 0.825 18868 4287 1 13 . 1 1 43 43 THR H H 43 9.926 9.926 8.808 1.118 18868 4288 1 13 . 1 1 44 44 ILE N N 44 116.467 116.467 120.202 -3.735 18868 4289 1 13 . 1 1 44 44 ILE C C 44 178.107 178.107 177.392 0.715 18868 4290 1 13 . 1 1 44 44 ILE CA C 44 62.400 62.400 60.756 1.644 18868 4291 1 13 . 1 1 44 44 ILE CB C 44 38.300 38.300 37.691 0.609 18868 4292 1 13 . 1 1 44 44 ILE H H 44 8.214 8.214 8.094 0.120 18868 4293 1 13 . 1 1 45 45 GLY N N 45 108.241 108.241 109.262 -1.021 18868 4294 1 13 . 1 1 45 45 GLY C C 45 176.355 176.355 176.028 0.327 18868 4295 1 13 . 1 1 45 45 GLY CA C 45 47.400 47.400 47.401 -0.001 18868 4296 1 13 . 1 1 45 45 GLY H H 45 7.750 7.750 7.668 0.082 18868 4297 1 13 . 1 1 46 46 SER N N 46 113.635 113.635 114.633 -0.998 18868 4298 1 13 . 1 1 46 46 SER C C 46 176.007 176.007 174.692 1.315 18868 4299 1 13 . 1 1 46 46 SER CA C 46 60.100 60.100 59.650 0.450 18868 4300 1 13 . 1 1 46 46 SER H H 46 7.847 7.847 7.937 -0.090 18868 4301 1 13 . 1 1 47 47 LYS N N 47 119.437 119.437 119.726 -0.289 18868 4302 1 13 . 1 1 47 47 LYS C C 47 178.100 178.100 175.768 2.332 18868 4303 1 13 . 1 1 47 47 LYS CA C 47 56.000 56.000 56.083 -0.083 18868 4304 1 13 . 1 1 47 47 LYS CB C 47 33.400 33.400 33.677 -0.277 18868 4305 1 13 . 1 1 47 47 LYS H H 47 7.709 7.709 7.732 -0.023 18868 4306 1 13 . 1 1 48 48 LEU N N 48 120.169 120.169 121.389 -1.220 18868 4307 1 13 . 1 1 48 48 LEU C C 48 178.009 178.009 176.392 1.617 18868 4308 1 13 . 1 1 48 48 LEU CA C 48 55.000 55.000 54.099 0.901 18868 4309 1 13 . 1 1 48 48 LEU H H 48 7.139 7.139 7.452 -0.313 18868 4310 1 13 . 1 1 49 49 GLN N N 49 121.739 121.739 118.931 2.808 18868 4311 1 13 . 1 1 49 49 GLN C C 49 179.051 179.051 176.937 2.114 18868 4312 1 13 . 1 1 49 49 GLN CA C 49 55.800 55.800 55.259 0.541 18868 4313 1 13 . 1 1 49 49 GLN H H 49 7.917 7.917 8.323 -0.406 18868 4314 1 13 . 1 1 50 50 ASP N N 50 119.121 119.121 122.510 -3.389 18868 4315 1 13 . 1 1 50 50 ASP C C 50 178.335 178.335 177.584 0.751 18868 4316 1 13 . 1 1 50 50 ASP CA C 50 59.300 59.300 57.764 1.536 18868 4317 1 13 . 1 1 50 50 ASP H H 50 7.597 7.597 8.962 -1.365 18868 4318 1 13 . 1 1 51 51 ALA N N 51 116.624 116.624 121.525 -4.901 18868 4319 1 13 . 1 1 51 51 ALA C C 51 181.587 181.587 179.780 1.807 18868 4320 1 13 . 1 1 51 51 ALA CA C 51 57.700 57.700 55.149 2.551 18868 4321 1 13 . 1 1 51 51 ALA H H 51 7.560 7.560 8.551 -0.991 18868 4322 1 13 . 1 1 52 52 GLU N N 52 118.931 118.931 118.889 0.042 18868 4323 1 13 . 1 1 52 52 GLU C C 52 180.495 180.495 179.125 1.370 18868 4324 1 13 . 1 1 52 52 GLU CA C 52 58.900 58.900 59.077 -0.176 18868 4325 1 13 . 1 1 52 52 GLU H H 52 8.511 8.511 8.328 0.183 18868 4326 1 13 . 1 1 53 53 ILE N N 53 120.400 120.400 120.217 0.183 18868 4327 1 13 . 1 1 53 53 ILE CA C 53 59.000 59.000 65.213 -6.213 18868 4328 1 13 . 1 1 53 53 ILE H H 53 7.905 7.905 8.406 -0.501 18868 4329 1 13 . 1 1 54 54 ALA C C 54 181.477 181.477 179.210 2.267 18868 4330 1 13 . 1 1 54 54 ALA CA C 54 55.600 55.600 55.265 0.335 18868 4331 1 13 . 1 1 55 55 ARG N N 55 118.315 118.315 119.366 -1.051 18868 4332 1 13 . 1 1 55 55 ARG C C 55 179.468 179.468 178.439 1.029 18868 4333 1 13 . 1 1 55 55 ARG CA C 55 59.100 59.100 58.983 0.117 18868 4334 1 13 . 1 1 55 55 ARG H H 55 7.448 7.448 7.855 -0.407 18868 4335 1 13 . 1 1 56 56 LEU N N 56 120.310 120.310 121.246 -0.936 18868 4336 1 13 . 1 1 56 56 LEU C C 56 179.984 179.984 178.752 1.232 18868 4337 1 13 . 1 1 56 56 LEU CA C 56 58.000 58.000 57.990 0.010 18868 4338 1 13 . 1 1 56 56 LEU H H 56 7.672 7.672 8.381 -0.709 18868 4339 1 13 . 1 1 57 57 MET N N 57 115.780 115.780 116.365 -0.585 18868 4340 1 13 . 1 1 57 57 MET C C 57 179.083 179.083 178.801 0.282 18868 4341 1 13 . 1 1 57 57 MET H H 57 8.354 8.354 8.474 -0.120 18868 4342 1 13 . 1 1 58 58 GLU N N 58 117.826 117.826 119.867 -2.041 18868 4343 1 13 . 1 1 58 58 GLU C C 58 179.161 179.161 177.906 1.255 18868 4344 1 13 . 1 1 58 58 GLU CA C 58 59.300 59.300 58.335 0.965 18868 4345 1 13 . 1 1 58 58 GLU CB C 58 31.100 31.100 29.024 2.076 18868 4346 1 13 . 1 1 58 58 GLU H H 58 7.620 7.620 7.816 -0.196 18868 4347 1 13 . 1 1 59 59 ASP N N 59 117.801 117.801 120.419 -2.618 18868 4348 1 13 . 1 1 59 59 ASP CA C 59 57.200 57.200 57.296 -0.096 18868 4349 1 13 . 1 1 59 59 ASP H H 59 8.693 8.693 8.047 0.646 18868 4350 1 13 . 1 1 60 60 LEU N N 60 117.370 117.370 117.815 -0.445 18868 4351 1 13 . 1 1 60 60 LEU C C 60 179.216 179.216 177.665 1.551 18868 4352 1 13 . 1 1 60 60 LEU CA C 60 56.200 56.200 56.684 -0.484 18868 4353 1 13 . 1 1 60 60 LEU H H 60 8.159 8.159 7.472 0.687 18868 4354 1 13 . 1 1 61 61 ASP N N 61 117.835 117.835 118.552 -0.717 18868 4355 1 13 . 1 1 61 61 ASP C C 61 178.473 178.473 176.358 2.115 18868 4356 1 13 . 1 1 61 61 ASP CA C 61 52.800 52.800 55.147 -2.347 18868 4357 1 13 . 1 1 61 61 ASP CB C 61 39.100 39.100 39.795 -0.696 18868 4358 1 13 . 1 1 61 61 ASP H H 61 7.559 7.559 8.025 -0.466 18868 4359 1 13 . 1 1 62 62 ARG N N 62 125.783 125.783 123.090 2.693 18868 4360 1 13 . 1 1 62 62 ARG C C 62 178.519 178.519 177.026 1.493 18868 4361 1 13 . 1 1 62 62 ARG CA C 62 58.500 58.500 57.716 0.784 18868 4362 1 13 . 1 1 62 62 ARG CB C 62 30.200 30.200 30.143 0.057 18868 4363 1 13 . 1 1 62 62 ARG H H 62 7.839 7.839 8.342 -0.503 18868 4364 1 13 . 1 1 63 63 ASN N N 63 112.348 112.348 115.836 -3.488 18868 4365 1 13 . 1 1 63 63 ASN C C 63 175.597 175.597 174.201 1.396 18868 4366 1 13 . 1 1 63 63 ASN CA C 63 51.900 51.900 52.595 -0.695 18868 4367 1 13 . 1 1 63 63 ASN CB C 63 36.700 36.700 38.904 -2.204 18868 4368 1 13 . 1 1 63 63 ASN H H 63 7.899 7.899 8.096 -0.197 18868 4369 1 13 . 1 1 64 64 LYS N N 64 114.407 114.407 118.189 -3.782 18868 4370 1 13 . 1 1 64 64 LYS C C 64 176.731 176.731 175.258 1.473 18868 4371 1 13 . 1 1 64 64 LYS CA C 64 59.500 59.500 57.214 2.286 18868 4372 1 13 . 1 1 64 64 LYS H H 64 7.485 7.485 7.771 -0.286 18868 4373 1 13 . 1 1 65 65 ASP N N 65 117.880 117.880 120.503 -2.623 18868 4374 1 13 . 1 1 65 65 ASP C C 65 177.981 177.981 176.402 1.579 18868 4375 1 13 . 1 1 65 65 ASP CA C 65 52.900 52.900 54.115 -1.215 18868 4376 1 13 . 1 1 65 65 ASP H H 65 8.184 8.184 9.270 -1.086 18868 4377 1 13 . 1 1 66 66 GLN N N 66 114.037 114.037 114.422 -0.385 18868 4378 1 13 . 1 1 66 66 GLN C C 66 175.374 175.374 174.765 0.609 18868 4379 1 13 . 1 1 66 66 GLN CA C 66 57.900 57.900 57.929 -0.029 18868 4380 1 13 . 1 1 66 66 GLN CB C 66 26.200 26.200 25.951 0.249 18868 4381 1 13 . 1 1 66 66 GLN H H 66 9.917 9.917 9.050 0.867 18868 4382 1 13 . 1 1 67 67 GLU N N 67 117.611 117.611 118.307 -0.696 18868 4383 1 13 . 1 1 67 67 GLU C C 67 176.826 176.826 175.688 1.138 18868 4384 1 13 . 1 1 67 67 GLU CA C 67 54.000 54.000 54.861 -0.861 18868 4385 1 13 . 1 1 67 67 GLU CB C 67 33.100 33.100 30.770 2.330 18868 4386 1 13 . 1 1 67 67 GLU H H 67 7.800 7.800 8.526 -0.726 18868 4387 1 13 . 1 1 68 68 VAL N N 68 126.064 126.064 125.362 0.702 18868 4388 1 13 . 1 1 68 68 VAL C C 68 177.398 177.398 175.698 1.700 18868 4389 1 13 . 1 1 68 68 VAL CA C 68 61.100 61.100 63.770 -2.670 18868 4390 1 13 . 1 1 68 68 VAL CB C 68 33.300 33.300 31.074 2.226 18868 4391 1 13 . 1 1 68 68 VAL H H 68 9.656 9.656 7.987 1.669 18868 4392 1 13 . 1 1 69 69 ASN N N 69 127.002 127.002 126.538 0.464 18868 4393 1 13 . 1 1 69 69 ASN C C 69 175.438 175.438 175.639 -0.201 18868 4394 1 13 . 1 1 69 69 ASN CA C 69 51.200 51.200 51.602 -0.403 18868 4395 1 13 . 1 1 69 69 ASN H H 69 9.036 9.036 9.689 -0.653 18868 4396 1 13 . 1 1 70 70 PHE N N 70 119.437 119.437 119.279 0.158 18868 4397 1 13 . 1 1 70 70 PHE C C 70 177.652 177.652 177.230 0.422 18868 4398 1 13 . 1 1 70 70 PHE CA C 70 63.300 63.300 62.363 0.937 18868 4399 1 13 . 1 1 70 70 PHE H H 70 9.055 9.055 9.107 -0.052 18868 4400 1 13 . 1 1 71 71 GLN N N 71 117.576 117.576 116.862 0.714 18868 4401 1 13 . 1 1 71 71 GLN C C 71 180.488 180.488 178.400 2.088 18868 4402 1 13 . 1 1 71 71 GLN CA C 71 60.100 60.100 59.218 0.881 18868 4403 1 13 . 1 1 71 71 GLN CB C 71 27.900 27.900 28.398 -0.498 18868 4404 1 13 . 1 1 71 71 GLN H H 71 8.273 8.273 8.564 -0.291 18868 4405 1 13 . 1 1 72 72 GLU N N 72 119.971 119.971 120.004 -0.033 18868 4406 1 13 . 1 1 72 72 GLU C C 72 179.001 179.001 178.868 0.133 18868 4407 1 13 . 1 1 72 72 GLU CA C 72 58.700 58.700 59.499 -0.799 18868 4408 1 13 . 1 1 72 72 GLU H H 72 8.631 8.631 7.673 0.958 18868 4409 1 13 . 1 1 73 73 TYR N N 73 120.475 120.475 121.239 -0.764 18868 4410 1 13 . 1 1 73 73 TYR C C 73 180.040 180.040 177.283 2.757 18868 4411 1 13 . 1 1 73 73 TYR H H 73 7.721 7.721 8.143 -0.422 18868 4412 1 13 . 1 1 74 74 VAL N N 74 119.604 119.604 118.882 0.722 18868 4413 1 13 . 1 1 74 74 VAL C C 74 177.821 177.821 177.726 0.095 18868 4414 1 13 . 1 1 74 74 VAL CA C 74 60.200 60.200 66.864 -6.664 18868 4415 1 13 . 1 1 74 74 VAL CB C 74 33.800 33.800 31.166 2.634 18868 4416 1 13 . 1 1 74 74 VAL H H 74 8.147 8.147 7.990 0.157 18868 4417 1 13 . 1 1 75 75 THR N N 75 124.638 124.638 117.342 7.296 18868 4418 1 13 . 1 1 75 75 THR C C 75 179.971 179.971 176.266 3.705 18868 4419 1 13 . 1 1 75 75 THR CA C 75 60.600 60.600 66.915 -6.314 18868 4420 1 13 . 1 1 75 75 THR H H 75 7.714 7.714 7.503 0.211 18868 4421 1 13 . 1 1 76 76 PHE N N 76 116.963 116.963 122.587 -5.624 18868 4422 1 13 . 1 1 76 76 PHE C C 76 177.695 177.695 176.370 1.325 18868 4423 1 13 . 1 1 76 76 PHE CA C 76 60.000 60.000 60.536 -0.536 18868 4424 1 13 . 1 1 76 76 PHE H H 76 7.864 7.864 7.551 0.313 18868 4425 1 13 . 1 1 77 77 LEU N N 77 117.568 117.568 118.886 -1.318 18868 4426 1 13 . 1 1 77 77 LEU C C 77 180.668 180.668 178.720 1.948 18868 4427 1 13 . 1 1 77 77 LEU CA C 77 57.800 57.800 57.388 0.412 18868 4428 1 13 . 1 1 77 77 LEU H H 77 7.913 7.913 8.179 -0.266 18868 4429 1 13 . 1 1 78 78 GLY N N 78 104.257 104.257 106.173 -1.916 18868 4430 1 13 . 1 1 78 78 GLY C C 78 176.062 176.062 175.317 0.745 18868 4431 1 13 . 1 1 78 78 GLY CA C 78 47.600 47.600 46.935 0.665 18868 4432 1 13 . 1 1 78 78 GLY H H 78 8.057 8.057 8.328 -0.271 18868 4433 1 13 . 1 1 79 79 ALA N N 79 124.122 124.122 125.063 -0.941 18868 4434 1 13 . 1 1 79 79 ALA C C 79 182.313 182.313 179.611 2.702 18868 4435 1 13 . 1 1 79 79 ALA CA C 79 55.100 55.100 54.816 0.284 18868 4436 1 13 . 1 1 79 79 ALA H H 79 7.804 7.804 7.642 0.162 18868 4437 1 13 . 1 1 80 80 LEU N N 80 117.976 117.976 118.715 -0.739 18868 4438 1 13 . 1 1 80 80 LEU C C 80 178.389 178.389 179.020 -0.631 18868 4439 1 13 . 1 1 80 80 LEU CA C 80 57.400 57.400 57.429 -0.029 18868 4440 1 13 . 1 1 80 80 LEU H H 80 8.045 8.045 7.714 0.331 18868 4441 1 13 . 1 1 81 81 ALA N N 81 121.199 121.199 121.741 -0.542 18868 4442 1 13 . 1 1 81 81 ALA C C 81 181.617 181.617 179.677 1.940 18868 4443 1 13 . 1 1 81 81 ALA CA C 81 55.300 55.300 54.904 0.396 18868 4444 1 13 . 1 1 81 81 ALA H H 81 8.152 8.152 7.724 0.428 18868 4445 1 13 . 1 1 82 82 LEU N N 82 117.392 117.392 119.248 -1.856 18868 4446 1 13 . 1 1 82 82 LEU C C 82 180.828 180.828 179.160 1.668 18868 4447 1 13 . 1 1 82 82 LEU CA C 82 58.800 58.800 57.795 1.005 18868 4448 1 13 . 1 1 82 82 LEU H H 82 7.238 7.238 8.013 -0.775 18868 4449 1 13 . 1 1 83 83 ILE N N 83 124.342 124.342 119.272 5.070 18868 4450 1 13 . 1 1 83 83 ILE C C 83 177.495 177.495 178.253 -0.758 18868 4451 1 13 . 1 1 83 83 ILE CA C 83 60.500 60.500 65.286 -4.786 18868 4452 1 13 . 1 1 83 83 ILE H H 83 8.726 8.726 7.646 1.080 18868 4453 1 13 . 1 1 84 84 TYR N N 84 120.026 120.026 118.388 1.638 18868 4454 1 13 . 1 1 84 84 TYR C C 84 177.236 177.236 178.246 -1.010 18868 4455 1 13 . 1 1 84 84 TYR CA C 84 56.900 56.900 60.736 -3.836 18868 4456 1 13 . 1 1 84 84 TYR H H 84 8.241 8.241 7.872 0.369 18868 4457 1 13 . 1 1 85 85 ASN N N 85 117.125 117.125 116.776 0.349 18868 4458 1 13 . 1 1 85 85 ASN C C 85 175.508 175.508 177.272 -1.764 18868 4459 1 13 . 1 1 85 85 ASN CA C 85 56.600 56.600 55.363 1.237 18868 4460 1 13 . 1 1 85 85 ASN H H 85 7.681 7.681 7.711 -0.030 18868 4461 1 13 . 1 1 86 86 GLU N N 86 119.756 119.756 118.884 0.872 18868 4462 1 13 . 1 1 86 86 GLU C C 86 177.821 177.821 178.191 -0.370 18868 4463 1 13 . 1 1 86 86 GLU H H 86 8.790 8.790 8.136 0.654 18868 4464 1 13 . 1 1 87 87 ALA N N 87 112.780 112.780 120.834 -8.054 18868 4465 1 13 . 1 1 87 87 ALA H H 87 8.241 8.241 7.528 0.713 18868 4466 1 13 . 1 1 88 88 LEU N N 88 118.627 118.627 117.341 1.286 18868 4467 1 13 . 1 1 88 88 LEU CA C 88 57.900 57.900 55.340 2.560 18868 4468 1 13 . 1 1 88 88 LEU H H 88 8.384 8.384 7.582 0.802 18868 4469 1 13 . 1 1 89 89 LYS N N 89 118.552 118.552 119.621 -1.069 18868 4470 1 13 . 1 1 89 89 LYS C C 89 177.332 177.332 176.800 0.532 18868 4471 1 13 . 1 1 89 89 LYS CA C 89 56.900 56.900 56.172 0.729 18868 4472 1 13 . 1 1 89 89 LYS H H 89 7.854 7.854 7.597 0.257 18868 4473 1 14 . 1 1 3 3 SER N N 3 118.627 118.627 118.453 0.174 18868 4474 1 14 . 1 1 3 3 SER H H 3 8.384 8.384 8.560 -0.176 18868 4475 1 14 . 1 1 4 4 PRO C C 4 180.814 180.814 178.788 2.026 18868 4476 1 14 . 1 1 4 4 PRO CA C 4 66.500 66.500 65.781 0.718 18868 4477 1 14 . 1 1 5 5 LEU N N 5 119.501 119.501 118.734 0.767 18868 4478 1 14 . 1 1 5 5 LEU C C 5 179.272 179.272 178.509 0.763 18868 4479 1 14 . 1 1 5 5 LEU CA C 5 58.600 58.600 58.214 0.386 18868 4480 1 14 . 1 1 5 5 LEU H H 5 9.386 9.386 8.128 1.258 18868 4481 1 14 . 1 1 6 6 ASP N N 6 119.191 119.191 118.560 0.631 18868 4482 1 14 . 1 1 6 6 ASP C C 6 182.313 182.313 179.110 3.203 18868 4483 1 14 . 1 1 6 6 ASP CA C 6 58.000 58.000 57.801 0.199 18868 4484 1 14 . 1 1 6 6 ASP H H 6 7.912 7.912 8.390 -0.478 18868 4485 1 14 . 1 1 7 7 GLN N N 7 117.979 117.979 118.975 -0.996 18868 4486 1 14 . 1 1 7 7 GLN C C 7 179.998 179.998 178.478 1.520 18868 4487 1 14 . 1 1 7 7 GLN CA C 7 58.900 58.900 58.470 0.430 18868 4488 1 14 . 1 1 7 7 GLN H H 7 8.065 8.065 8.495 -0.430 18868 4489 1 14 . 1 1 8 8 ALA N N 8 124.008 124.008 123.167 0.841 18868 4490 1 14 . 1 1 8 8 ALA CA C 8 55.500 55.500 55.240 0.260 18868 4491 1 14 . 1 1 8 8 ALA H H 8 8.159 8.159 8.066 0.093 18868 4492 1 14 . 1 1 9 9 ILE C C 9 179.258 179.258 178.390 0.868 18868 4493 1 14 . 1 1 9 9 ILE CA C 9 64.900 64.900 62.914 1.986 18868 4494 1 14 . 1 1 10 10 GLY N N 10 105.447 105.447 108.221 -2.774 18868 4495 1 14 . 1 1 10 10 GLY C C 10 177.984 177.984 176.383 1.601 18868 4496 1 14 . 1 1 10 10 GLY CA C 10 47.300 47.300 47.205 0.095 18868 4497 1 14 . 1 1 10 10 GLY H H 10 8.062 8.062 8.559 -0.497 18868 4498 1 14 . 1 1 11 11 LEU N N 11 124.755 124.755 122.933 1.822 18868 4499 1 14 . 1 1 11 11 LEU C C 11 178.346 178.346 178.712 -0.366 18868 4500 1 14 . 1 1 11 11 LEU CA C 11 58.000 58.000 57.639 0.361 18868 4501 1 14 . 1 1 11 11 LEU H H 11 8.067 8.067 8.193 -0.126 18868 4502 1 14 . 1 1 12 12 LEU N N 12 121.609 121.609 119.226 2.383 18868 4503 1 14 . 1 1 12 12 LEU C C 12 182.560 182.560 179.499 3.061 18868 4504 1 14 . 1 1 12 12 LEU CA C 12 59.000 59.000 58.270 0.730 18868 4505 1 14 . 1 1 12 12 LEU H H 12 7.997 7.997 7.755 0.242 18868 4506 1 14 . 1 1 13 13 VAL N N 13 119.951 119.951 118.993 0.958 18868 4507 1 14 . 1 1 13 13 VAL C C 13 178.016 178.016 177.857 0.159 18868 4508 1 14 . 1 1 13 13 VAL CA C 13 67.100 67.100 66.856 0.244 18868 4509 1 14 . 1 1 13 13 VAL H H 13 8.087 8.087 8.043 0.044 18868 4510 1 14 . 1 1 14 14 ALA N N 14 122.867 122.867 122.526 0.341 18868 4511 1 14 . 1 1 14 14 ALA C C 14 175.380 175.380 179.855 -4.475 18868 4512 1 14 . 1 1 14 14 ALA CA C 14 55.600 55.600 55.299 0.301 18868 4513 1 14 . 1 1 14 14 ALA H H 14 8.363 8.363 7.993 0.370 18868 4514 1 14 . 1 1 15 15 ILE N N 15 118.496 118.496 118.916 -0.420 18868 4515 1 14 . 1 1 15 15 ILE C C 15 178.058 178.058 177.921 0.137 18868 4516 1 14 . 1 1 15 15 ILE CA C 15 64.800 64.800 65.174 -0.374 18868 4517 1 14 . 1 1 15 15 ILE H H 15 8.787 8.787 8.002 0.785 18868 4518 1 14 . 1 1 16 16 PHE N N 16 119.259 119.259 120.931 -1.672 18868 4519 1 14 . 1 1 16 16 PHE H H 16 7.171 7.171 8.055 -0.884 18868 4520 1 14 . 1 1 17 17 HIS C C 17 178.660 178.660 177.928 0.732 18868 4521 1 14 . 1 1 17 17 HIS CA C 17 54.800 54.800 57.237 -2.437 18868 4522 1 14 . 1 1 17 17 HIS CB C 17 30.000 30.000 29.387 0.614 18868 4523 1 14 . 1 1 18 18 LYS N N 18 122.924 122.924 120.131 2.793 18868 4524 1 14 . 1 1 18 18 LYS C C 18 180.221 180.221 176.641 3.580 18868 4525 1 14 . 1 1 18 18 LYS CA C 18 58.800 58.800 58.343 0.457 18868 4526 1 14 . 1 1 18 18 LYS CB C 18 40.200 40.200 32.214 7.986 18868 4527 1 14 . 1 1 18 18 LYS H H 18 8.880 8.880 7.783 1.097 18868 4528 1 14 . 1 1 19 19 TYR N N 19 120.227 120.227 114.245 5.982 18868 4529 1 14 . 1 1 19 19 TYR C C 19 178.435 178.435 175.048 3.387 18868 4530 1 14 . 1 1 19 19 TYR CA C 19 55.300 55.300 58.570 -3.270 18868 4531 1 14 . 1 1 19 19 TYR H H 19 8.879 8.879 7.430 1.449 18868 4532 1 14 . 1 1 20 20 SER N N 20 119.760 119.760 114.543 5.217 18868 4533 1 14 . 1 1 20 20 SER C C 20 178.376 178.376 175.450 2.926 18868 4534 1 14 . 1 1 20 20 SER CA C 20 56.900 56.900 58.815 -1.915 18868 4535 1 14 . 1 1 20 20 SER CB C 20 61.700 61.700 61.962 -0.262 18868 4536 1 14 . 1 1 20 20 SER H H 20 7.557 7.557 7.717 -0.160 18868 4537 1 14 . 1 1 21 21 GLY N N 21 111.202 111.202 114.538 -3.336 18868 4538 1 14 . 1 1 21 21 GLY C C 21 174.862 174.862 174.441 0.421 18868 4539 1 14 . 1 1 21 21 GLY CA C 21 45.600 45.600 45.170 0.430 18868 4540 1 14 . 1 1 21 21 GLY H H 21 7.696 7.696 8.825 -1.129 18868 4541 1 14 . 1 1 22 22 ARG N N 22 122.200 122.200 119.110 3.090 18868 4542 1 14 . 1 1 22 22 ARG C C 22 178.336 178.336 176.211 2.125 18868 4543 1 14 . 1 1 22 22 ARG CA C 22 59.500 59.500 57.275 2.225 18868 4544 1 14 . 1 1 22 22 ARG CB C 22 30.500 30.500 31.385 -0.885 18868 4545 1 14 . 1 1 22 22 ARG H H 22 7.311 7.311 8.903 -1.592 18868 4546 1 14 . 1 1 23 23 GLU N N 23 115.984 115.984 118.676 -2.692 18868 4547 1 14 . 1 1 23 23 GLU C C 23 177.129 177.129 176.472 0.657 18868 4548 1 14 . 1 1 23 23 GLU CA C 23 54.300 54.300 55.314 -1.014 18868 4549 1 14 . 1 1 23 23 GLU CB C 23 33.200 33.200 31.372 1.828 18868 4550 1 14 . 1 1 23 23 GLU H H 23 9.488 9.488 8.372 1.116 18868 4551 1 14 . 1 1 24 24 GLY N N 24 114.031 114.031 114.280 -0.249 18868 4552 1 14 . 1 1 24 24 GLY C C 24 174.499 174.499 173.857 0.642 18868 4553 1 14 . 1 1 24 24 GLY CA C 24 45.900 45.900 45.672 0.228 18868 4554 1 14 . 1 1 24 24 GLY H H 24 9.048 9.048 8.703 0.345 18868 4555 1 14 . 1 1 25 25 ASP N N 25 125.634 125.634 123.842 1.792 18868 4556 1 14 . 1 1 25 25 ASP C C 25 177.998 177.998 175.803 2.195 18868 4557 1 14 . 1 1 25 25 ASP CA C 25 55.000 55.000 53.419 1.581 18868 4558 1 14 . 1 1 25 25 ASP H H 25 8.249 8.249 8.330 -0.081 18868 4559 1 14 . 1 1 26 26 LYS N N 26 121.469 121.469 124.487 -3.018 18868 4560 1 14 . 1 1 26 26 LYS CA C 26 57.600 57.600 57.011 0.589 18868 4561 1 14 . 1 1 26 26 LYS CB C 26 37.800 37.800 30.797 7.003 18868 4562 1 14 . 1 1 26 26 LYS H H 26 9.043 9.043 8.730 0.313 18868 4563 1 14 . 1 1 27 27 HIS N N 27 112.780 112.780 116.858 -4.078 18868 4564 1 14 . 1 1 27 27 HIS C C 27 175.067 175.067 174.493 0.574 18868 4565 1 14 . 1 1 27 27 HIS CA C 27 55.300 55.300 56.929 -1.629 18868 4566 1 14 . 1 1 27 27 HIS CB C 27 30.300 30.300 33.550 -3.250 18868 4567 1 14 . 1 1 27 27 HIS H H 27 8.241 8.241 8.625 -0.384 18868 4568 1 14 . 1 1 28 28 THR N N 28 106.447 106.447 113.323 -6.876 18868 4569 1 14 . 1 1 28 28 THR C C 28 174.469 174.469 173.570 0.899 18868 4570 1 14 . 1 1 28 28 THR CA C 28 60.000 60.000 60.748 -0.748 18868 4571 1 14 . 1 1 28 28 THR H H 28 7.248 7.248 7.694 -0.446 18868 4572 1 14 . 1 1 29 29 LEU N N 29 125.037 125.037 125.678 -0.641 18868 4573 1 14 . 1 1 29 29 LEU C C 29 180.751 180.751 176.595 4.156 18868 4574 1 14 . 1 1 29 29 LEU CA C 29 55.200 55.200 54.198 1.002 18868 4575 1 14 . 1 1 29 29 LEU CB C 29 41.800 41.800 42.755 -0.956 18868 4576 1 14 . 1 1 29 29 LEU H H 29 9.421 9.421 9.178 0.243 18868 4577 1 14 . 1 1 30 30 SER N N 30 131.373 131.373 120.381 10.992 18868 4578 1 14 . 1 1 30 30 SER C C 30 177.946 177.946 176.103 1.843 18868 4579 1 14 . 1 1 30 30 SER CA C 30 57.900 57.900 57.773 0.127 18868 4580 1 14 . 1 1 30 30 SER H H 30 9.312 9.312 9.562 -0.250 18868 4581 1 14 . 1 1 31 31 LYS N N 31 117.689 117.689 120.515 -2.826 18868 4582 1 14 . 1 1 31 31 LYS CA C 31 57.800 57.800 59.127 -1.327 18868 4583 1 14 . 1 1 31 31 LYS H H 31 9.659 9.659 8.915 0.744 18868 4584 1 14 . 1 1 32 32 LYS C C 32 180.677 180.677 178.419 2.258 18868 4585 1 14 . 1 1 32 32 LYS CA C 32 59.800 59.800 59.694 0.106 18868 4586 1 14 . 1 1 33 33 GLU N N 33 120.336 120.336 120.595 -0.259 18868 4587 1 14 . 1 1 33 33 GLU C C 33 179.654 179.654 179.094 0.560 18868 4588 1 14 . 1 1 33 33 GLU CA C 33 59.300 59.300 59.478 -0.178 18868 4589 1 14 . 1 1 33 33 GLU H H 33 7.608 7.608 7.666 -0.058 18868 4590 1 14 . 1 1 34 34 LEU N N 34 117.303 117.303 120.310 -3.007 18868 4591 1 14 . 1 1 34 34 LEU C C 34 179.420 179.420 177.823 1.597 18868 4592 1 14 . 1 1 34 34 LEU CA C 34 58.200 58.200 57.990 0.210 18868 4593 1 14 . 1 1 34 34 LEU H H 34 7.659 7.659 8.483 -0.824 18868 4594 1 14 . 1 1 35 35 LYS N N 35 116.520 116.520 118.970 -2.450 18868 4595 1 14 . 1 1 35 35 LYS CA C 35 60.700 60.700 59.883 0.818 18868 4596 1 14 . 1 1 35 35 LYS CB C 35 32.000 32.000 32.088 -0.088 18868 4597 1 14 . 1 1 35 35 LYS H H 35 7.731 7.731 7.541 0.190 18868 4598 1 14 . 1 1 36 36 GLU N N 36 118.365 118.365 119.064 -0.699 18868 4599 1 14 . 1 1 36 36 GLU C C 36 177.868 177.868 178.369 -0.501 18868 4600 1 14 . 1 1 36 36 GLU CA C 36 59.700 59.700 58.965 0.736 18868 4601 1 14 . 1 1 36 36 GLU CB C 36 29.300 29.300 29.766 -0.466 18868 4602 1 14 . 1 1 36 36 GLU H H 36 7.871 7.871 7.619 0.252 18868 4603 1 14 . 1 1 37 37 LEU N N 37 121.068 121.068 120.195 0.873 18868 4604 1 14 . 1 1 37 37 LEU C C 37 176.731 176.731 178.374 -1.643 18868 4605 1 14 . 1 1 37 37 LEU CA C 37 59.500 59.500 57.674 1.826 18868 4606 1 14 . 1 1 37 37 LEU CB C 37 42.700 42.700 41.979 0.721 18868 4607 1 14 . 1 1 37 37 LEU H H 37 7.513 7.513 7.703 -0.190 18868 4608 1 14 . 1 1 38 38 ILE N N 38 117.867 117.867 118.219 -0.352 18868 4609 1 14 . 1 1 38 38 ILE C C 38 178.658 178.658 178.431 0.227 18868 4610 1 14 . 1 1 38 38 ILE CA C 38 65.300 65.300 65.299 0.001 18868 4611 1 14 . 1 1 38 38 ILE H H 38 8.206 8.206 8.167 0.039 18868 4612 1 14 . 1 1 39 39 GLN N N 39 114.147 114.147 116.057 -1.910 18868 4613 1 14 . 1 1 39 39 GLN C C 39 180.003 180.003 176.900 3.103 18868 4614 1 14 . 1 1 39 39 GLN CA C 39 59.500 59.500 57.741 1.759 18868 4615 1 14 . 1 1 39 39 GLN H H 39 8.238 8.238 7.986 0.252 18868 4616 1 14 . 1 1 40 40 LYS N N 40 115.051 115.051 119.021 -3.970 18868 4617 1 14 . 1 1 40 40 LYS C C 40 180.483 180.483 177.491 2.992 18868 4618 1 14 . 1 1 40 40 LYS CA C 40 57.500 57.500 57.540 -0.040 18868 4619 1 14 . 1 1 40 40 LYS H H 40 8.298 8.298 7.728 0.570 18868 4620 1 14 . 1 1 41 41 GLU N N 41 112.448 112.448 117.389 -4.941 18868 4621 1 14 . 1 1 41 41 GLU C C 41 178.252 178.252 176.809 1.443 18868 4622 1 14 . 1 1 41 41 GLU CA C 41 55.700 55.700 56.375 -0.675 18868 4623 1 14 . 1 1 41 41 GLU H H 41 8.328 8.328 8.359 -0.031 18868 4624 1 14 . 1 1 42 42 LEU N N 42 118.693 118.693 121.619 -2.926 18868 4625 1 14 . 1 1 42 42 LEU C C 42 179.377 179.377 177.080 2.297 18868 4626 1 14 . 1 1 42 42 LEU CA C 42 53.300 53.300 53.941 -0.640 18868 4627 1 14 . 1 1 42 42 LEU H H 42 7.361 7.361 7.328 0.033 18868 4628 1 14 . 1 1 43 43 THR N N 43 125.535 125.535 121.760 3.775 18868 4629 1 14 . 1 1 43 43 THR C C 43 180.403 180.403 175.532 4.871 18868 4630 1 14 . 1 1 43 43 THR CA C 43 67.300 67.300 65.969 1.331 18868 4631 1 14 . 1 1 43 43 THR H H 43 9.926 9.926 8.632 1.294 18868 4632 1 14 . 1 1 44 44 ILE N N 44 116.467 116.467 120.411 -3.944 18868 4633 1 14 . 1 1 44 44 ILE C C 44 178.107 178.107 178.056 0.051 18868 4634 1 14 . 1 1 44 44 ILE CA C 44 62.400 62.400 61.141 1.259 18868 4635 1 14 . 1 1 44 44 ILE CB C 44 38.300 38.300 38.013 0.287 18868 4636 1 14 . 1 1 44 44 ILE H H 44 8.214 8.214 7.820 0.394 18868 4637 1 14 . 1 1 45 45 GLY N N 45 108.241 108.241 109.592 -1.351 18868 4638 1 14 . 1 1 45 45 GLY C C 45 176.355 176.355 176.412 -0.057 18868 4639 1 14 . 1 1 45 45 GLY CA C 45 47.400 47.400 47.254 0.146 18868 4640 1 14 . 1 1 45 45 GLY H H 45 7.750 7.750 8.677 -0.927 18868 4641 1 14 . 1 1 46 46 SER N N 46 113.635 113.635 114.025 -0.390 18868 4642 1 14 . 1 1 46 46 SER C C 46 176.007 176.007 175.123 0.884 18868 4643 1 14 . 1 1 46 46 SER CA C 46 60.100 60.100 59.946 0.154 18868 4644 1 14 . 1 1 46 46 SER H H 46 7.847 7.847 7.795 0.052 18868 4645 1 14 . 1 1 47 47 LYS N N 47 119.437 119.437 119.320 0.117 18868 4646 1 14 . 1 1 47 47 LYS C C 47 178.100 178.100 176.239 1.861 18868 4647 1 14 . 1 1 47 47 LYS CA C 47 56.000 56.000 55.831 0.169 18868 4648 1 14 . 1 1 47 47 LYS CB C 47 33.400 33.400 33.627 -0.227 18868 4649 1 14 . 1 1 47 47 LYS H H 47 7.709 7.709 7.589 0.120 18868 4650 1 14 . 1 1 48 48 LEU N N 48 120.169 120.169 121.152 -0.983 18868 4651 1 14 . 1 1 48 48 LEU C C 48 178.009 178.009 176.635 1.374 18868 4652 1 14 . 1 1 48 48 LEU CA C 48 55.000 55.000 54.413 0.586 18868 4653 1 14 . 1 1 48 48 LEU H H 48 7.139 7.139 7.328 -0.189 18868 4654 1 14 . 1 1 49 49 GLN N N 49 121.739 121.739 120.790 0.949 18868 4655 1 14 . 1 1 49 49 GLN C C 49 179.051 179.051 176.758 2.293 18868 4656 1 14 . 1 1 49 49 GLN CA C 49 55.800 55.800 55.362 0.438 18868 4657 1 14 . 1 1 49 49 GLN H H 49 7.917 7.917 8.237 -0.320 18868 4658 1 14 . 1 1 50 50 ASP N N 50 119.121 119.121 124.380 -5.259 18868 4659 1 14 . 1 1 50 50 ASP C C 50 178.335 178.335 177.732 0.603 18868 4660 1 14 . 1 1 50 50 ASP CA C 50 59.300 59.300 57.972 1.328 18868 4661 1 14 . 1 1 50 50 ASP H H 50 7.597 7.597 8.976 -1.379 18868 4662 1 14 . 1 1 51 51 ALA N N 51 116.624 116.624 121.855 -5.231 18868 4663 1 14 . 1 1 51 51 ALA C C 51 181.587 181.587 179.966 1.621 18868 4664 1 14 . 1 1 51 51 ALA CA C 51 57.700 57.700 55.144 2.556 18868 4665 1 14 . 1 1 51 51 ALA H H 51 7.560 7.560 8.425 -0.865 18868 4666 1 14 . 1 1 52 52 GLU N N 52 118.931 118.931 119.220 -0.289 18868 4667 1 14 . 1 1 52 52 GLU C C 52 180.495 180.495 179.065 1.430 18868 4668 1 14 . 1 1 52 52 GLU CA C 52 58.900 58.900 58.805 0.095 18868 4669 1 14 . 1 1 52 52 GLU H H 52 8.511 8.511 7.501 1.010 18868 4670 1 14 . 1 1 53 53 ILE N N 53 120.400 120.400 120.461 -0.061 18868 4671 1 14 . 1 1 53 53 ILE CA C 53 59.000 59.000 65.191 -6.191 18868 4672 1 14 . 1 1 53 53 ILE H H 53 7.905 7.905 8.384 -0.479 18868 4673 1 14 . 1 1 54 54 ALA C C 54 181.477 181.477 179.269 2.208 18868 4674 1 14 . 1 1 54 54 ALA CA C 54 55.600 55.600 55.322 0.278 18868 4675 1 14 . 1 1 55 55 ARG N N 55 118.315 118.315 119.163 -0.848 18868 4676 1 14 . 1 1 55 55 ARG C C 55 179.468 179.468 178.403 1.065 18868 4677 1 14 . 1 1 55 55 ARG CA C 55 59.100 59.100 58.946 0.154 18868 4678 1 14 . 1 1 55 55 ARG H H 55 7.448 7.448 7.681 -0.233 18868 4679 1 14 . 1 1 56 56 LEU N N 56 120.310 120.310 121.626 -1.316 18868 4680 1 14 . 1 1 56 56 LEU C C 56 179.984 179.984 178.709 1.275 18868 4681 1 14 . 1 1 56 56 LEU CA C 56 58.000 58.000 58.005 -0.005 18868 4682 1 14 . 1 1 56 56 LEU H H 56 7.672 7.672 8.348 -0.676 18868 4683 1 14 . 1 1 57 57 MET N N 57 115.780 115.780 115.977 -0.197 18868 4684 1 14 . 1 1 57 57 MET C C 57 179.083 179.083 178.495 0.588 18868 4685 1 14 . 1 1 57 57 MET H H 57 8.354 8.354 8.462 -0.108 18868 4686 1 14 . 1 1 58 58 GLU N N 58 117.826 117.826 119.964 -2.138 18868 4687 1 14 . 1 1 58 58 GLU C C 58 179.161 179.161 177.874 1.287 18868 4688 1 14 . 1 1 58 58 GLU CA C 58 59.300 59.300 58.439 0.861 18868 4689 1 14 . 1 1 58 58 GLU CB C 58 31.100 31.100 29.141 1.959 18868 4690 1 14 . 1 1 58 58 GLU H H 58 7.620 7.620 7.618 0.002 18868 4691 1 14 . 1 1 59 59 ASP N N 59 117.801 117.801 120.718 -2.917 18868 4692 1 14 . 1 1 59 59 ASP CA C 59 57.200 57.200 57.289 -0.089 18868 4693 1 14 . 1 1 59 59 ASP H H 59 8.693 8.693 8.188 0.505 18868 4694 1 14 . 1 1 60 60 LEU N N 60 117.370 117.370 117.683 -0.313 18868 4695 1 14 . 1 1 60 60 LEU C C 60 179.216 179.216 176.649 2.567 18868 4696 1 14 . 1 1 60 60 LEU CA C 60 56.200 56.200 56.697 -0.497 18868 4697 1 14 . 1 1 60 60 LEU H H 60 8.159 8.159 7.787 0.372 18868 4698 1 14 . 1 1 61 61 ASP N N 61 117.835 117.835 118.413 -0.578 18868 4699 1 14 . 1 1 61 61 ASP C C 61 178.473 178.473 176.500 1.973 18868 4700 1 14 . 1 1 61 61 ASP CA C 61 52.800 52.800 54.919 -2.119 18868 4701 1 14 . 1 1 61 61 ASP CB C 61 39.100 39.100 40.141 -1.041 18868 4702 1 14 . 1 1 61 61 ASP H H 61 7.559 7.559 7.907 -0.348 18868 4703 1 14 . 1 1 62 62 ARG N N 62 125.783 125.783 125.782 0.001 18868 4704 1 14 . 1 1 62 62 ARG C C 62 178.519 178.519 177.853 0.666 18868 4705 1 14 . 1 1 62 62 ARG CA C 62 58.500 58.500 56.226 2.274 18868 4706 1 14 . 1 1 62 62 ARG CB C 62 30.200 30.200 30.663 -0.463 18868 4707 1 14 . 1 1 62 62 ARG H H 62 7.839 7.839 8.662 -0.823 18868 4708 1 14 . 1 1 63 63 ASN N N 63 112.348 112.348 117.976 -5.628 18868 4709 1 14 . 1 1 63 63 ASN C C 63 175.597 175.597 175.220 0.377 18868 4710 1 14 . 1 1 63 63 ASN CA C 63 51.900 51.900 54.294 -2.394 18868 4711 1 14 . 1 1 63 63 ASN CB C 63 36.700 36.700 39.240 -2.540 18868 4712 1 14 . 1 1 63 63 ASN H H 63 7.899 7.899 8.004 -0.105 18868 4713 1 14 . 1 1 64 64 LYS N N 64 114.407 114.407 116.614 -2.207 18868 4714 1 14 . 1 1 64 64 LYS C C 64 176.731 176.731 175.189 1.542 18868 4715 1 14 . 1 1 64 64 LYS CA C 64 59.500 59.500 57.095 2.405 18868 4716 1 14 . 1 1 64 64 LYS H H 64 7.485 7.485 8.436 -0.951 18868 4717 1 14 . 1 1 65 65 ASP N N 65 117.880 117.880 116.397 1.483 18868 4718 1 14 . 1 1 65 65 ASP C C 65 177.981 177.981 176.189 1.792 18868 4719 1 14 . 1 1 65 65 ASP CA C 65 52.900 52.900 53.770 -0.870 18868 4720 1 14 . 1 1 65 65 ASP H H 65 8.184 8.184 8.159 0.025 18868 4721 1 14 . 1 1 66 66 GLN N N 66 114.037 114.037 114.352 -0.315 18868 4722 1 14 . 1 1 66 66 GLN C C 66 175.374 175.374 174.850 0.524 18868 4723 1 14 . 1 1 66 66 GLN CA C 66 57.900 57.900 57.938 -0.038 18868 4724 1 14 . 1 1 66 66 GLN CB C 66 26.200 26.200 26.205 -0.005 18868 4725 1 14 . 1 1 66 66 GLN H H 66 9.917 9.917 8.240 1.677 18868 4726 1 14 . 1 1 67 67 GLU N N 67 117.611 117.611 118.045 -0.434 18868 4727 1 14 . 1 1 67 67 GLU C C 67 176.826 176.826 175.762 1.064 18868 4728 1 14 . 1 1 67 67 GLU CA C 67 54.000 54.000 54.892 -0.892 18868 4729 1 14 . 1 1 67 67 GLU CB C 67 33.100 33.100 30.905 2.195 18868 4730 1 14 . 1 1 67 67 GLU H H 67 7.800 7.800 8.072 -0.272 18868 4731 1 14 . 1 1 68 68 VAL N N 68 126.064 126.064 126.155 -0.091 18868 4732 1 14 . 1 1 68 68 VAL C C 68 177.398 177.398 175.303 2.095 18868 4733 1 14 . 1 1 68 68 VAL CA C 68 61.100 61.100 63.330 -2.229 18868 4734 1 14 . 1 1 68 68 VAL CB C 68 33.300 33.300 31.907 1.393 18868 4735 1 14 . 1 1 68 68 VAL H H 68 9.656 9.656 7.930 1.726 18868 4736 1 14 . 1 1 69 69 ASN N N 69 127.002 127.002 125.607 1.395 18868 4737 1 14 . 1 1 69 69 ASN C C 69 175.438 175.438 176.018 -0.580 18868 4738 1 14 . 1 1 69 69 ASN CA C 69 51.200 51.200 51.977 -0.777 18868 4739 1 14 . 1 1 69 69 ASN H H 69 9.036 9.036 8.212 0.824 18868 4740 1 14 . 1 1 70 70 PHE N N 70 119.437 119.437 119.754 -0.317 18868 4741 1 14 . 1 1 70 70 PHE C C 70 177.652 177.652 177.324 0.328 18868 4742 1 14 . 1 1 70 70 PHE CA C 70 63.300 63.300 62.242 1.058 18868 4743 1 14 . 1 1 70 70 PHE H H 70 9.055 9.055 9.047 0.008 18868 4744 1 14 . 1 1 71 71 GLN N N 71 117.576 117.576 117.596 -0.020 18868 4745 1 14 . 1 1 71 71 GLN C C 71 180.488 180.488 178.369 2.119 18868 4746 1 14 . 1 1 71 71 GLN CA C 71 60.100 60.100 59.388 0.712 18868 4747 1 14 . 1 1 71 71 GLN CB C 71 27.900 27.900 28.134 -0.234 18868 4748 1 14 . 1 1 71 71 GLN H H 71 8.273 8.273 8.340 -0.067 18868 4749 1 14 . 1 1 72 72 GLU N N 72 119.971 119.971 119.688 0.283 18868 4750 1 14 . 1 1 72 72 GLU C C 72 179.001 179.001 178.847 0.154 18868 4751 1 14 . 1 1 72 72 GLU CA C 72 58.700 58.700 59.172 -0.471 18868 4752 1 14 . 1 1 72 72 GLU H H 72 8.631 8.631 8.025 0.606 18868 4753 1 14 . 1 1 73 73 TYR N N 73 120.475 120.475 120.980 -0.505 18868 4754 1 14 . 1 1 73 73 TYR C C 73 180.040 180.040 177.217 2.823 18868 4755 1 14 . 1 1 73 73 TYR H H 73 7.721 7.721 7.879 -0.158 18868 4756 1 14 . 1 1 74 74 VAL N N 74 119.604 119.604 118.539 1.065 18868 4757 1 14 . 1 1 74 74 VAL C C 74 177.821 177.821 177.621 0.200 18868 4758 1 14 . 1 1 74 74 VAL CA C 74 60.200 60.200 66.363 -6.163 18868 4759 1 14 . 1 1 74 74 VAL CB C 74 33.800 33.800 31.012 2.788 18868 4760 1 14 . 1 1 74 74 VAL H H 74 8.147 8.147 7.967 0.180 18868 4761 1 14 . 1 1 75 75 THR N N 75 124.638 124.638 117.159 7.479 18868 4762 1 14 . 1 1 75 75 THR C C 75 179.971 179.971 176.353 3.618 18868 4763 1 14 . 1 1 75 75 THR CA C 75 60.600 60.600 66.605 -6.005 18868 4764 1 14 . 1 1 75 75 THR H H 75 7.714 7.714 7.469 0.245 18868 4765 1 14 . 1 1 76 76 PHE N N 76 116.963 116.963 122.664 -5.701 18868 4766 1 14 . 1 1 76 76 PHE C C 76 177.695 177.695 176.424 1.271 18868 4767 1 14 . 1 1 76 76 PHE CA C 76 60.000 60.000 60.633 -0.633 18868 4768 1 14 . 1 1 76 76 PHE H H 76 7.864 7.864 7.321 0.543 18868 4769 1 14 . 1 1 77 77 LEU N N 77 117.568 117.568 118.909 -1.341 18868 4770 1 14 . 1 1 77 77 LEU C C 77 180.668 180.668 178.732 1.936 18868 4771 1 14 . 1 1 77 77 LEU CA C 77 57.800 57.800 57.210 0.590 18868 4772 1 14 . 1 1 77 77 LEU H H 77 7.913 7.913 7.415 0.498 18868 4773 1 14 . 1 1 78 78 GLY N N 78 104.257 104.257 106.334 -2.077 18868 4774 1 14 . 1 1 78 78 GLY C C 78 176.062 176.062 175.359 0.703 18868 4775 1 14 . 1 1 78 78 GLY CA C 78 47.600 47.600 46.993 0.607 18868 4776 1 14 . 1 1 78 78 GLY H H 78 8.057 8.057 8.380 -0.323 18868 4777 1 14 . 1 1 79 79 ALA N N 79 124.122 124.122 124.950 -0.828 18868 4778 1 14 . 1 1 79 79 ALA C C 79 182.313 182.313 179.623 2.690 18868 4779 1 14 . 1 1 79 79 ALA CA C 79 55.100 55.100 54.789 0.311 18868 4780 1 14 . 1 1 79 79 ALA H H 79 7.804 7.804 7.658 0.146 18868 4781 1 14 . 1 1 80 80 LEU N N 80 117.976 117.976 118.816 -0.840 18868 4782 1 14 . 1 1 80 80 LEU C C 80 178.389 178.389 179.017 -0.628 18868 4783 1 14 . 1 1 80 80 LEU CA C 80 57.400 57.400 57.477 -0.077 18868 4784 1 14 . 1 1 80 80 LEU H H 80 8.045 8.045 7.580 0.465 18868 4785 1 14 . 1 1 81 81 ALA N N 81 121.199 121.199 122.292 -1.093 18868 4786 1 14 . 1 1 81 81 ALA C C 81 181.617 181.617 179.667 1.950 18868 4787 1 14 . 1 1 81 81 ALA CA C 81 55.300 55.300 55.160 0.140 18868 4788 1 14 . 1 1 81 81 ALA H H 81 8.152 8.152 7.830 0.322 18868 4789 1 14 . 1 1 82 82 LEU N N 82 117.392 117.392 119.224 -1.832 18868 4790 1 14 . 1 1 82 82 LEU C C 82 180.828 180.828 179.196 1.632 18868 4791 1 14 . 1 1 82 82 LEU CA C 82 58.800 58.800 57.893 0.907 18868 4792 1 14 . 1 1 82 82 LEU H H 82 7.238 7.238 7.799 -0.561 18868 4793 1 14 . 1 1 83 83 ILE N N 83 124.342 124.342 119.654 4.688 18868 4794 1 14 . 1 1 83 83 ILE C C 83 177.495 177.495 178.089 -0.594 18868 4795 1 14 . 1 1 83 83 ILE CA C 83 60.500 60.500 65.609 -5.109 18868 4796 1 14 . 1 1 83 83 ILE H H 83 8.726 8.726 7.657 1.069 18868 4797 1 14 . 1 1 84 84 TYR N N 84 120.026 120.026 119.042 0.984 18868 4798 1 14 . 1 1 84 84 TYR C C 84 177.236 177.236 178.220 -0.984 18868 4799 1 14 . 1 1 84 84 TYR CA C 84 56.900 56.900 62.261 -5.361 18868 4800 1 14 . 1 1 84 84 TYR H H 84 8.241 8.241 8.546 -0.305 18868 4801 1 14 . 1 1 85 85 ASN N N 85 117.125 117.125 116.466 0.659 18868 4802 1 14 . 1 1 85 85 ASN C C 85 175.508 175.508 177.805 -2.297 18868 4803 1 14 . 1 1 85 85 ASN CA C 85 56.600 56.600 55.839 0.761 18868 4804 1 14 . 1 1 85 85 ASN H H 85 7.681 7.681 8.223 -0.542 18868 4805 1 14 . 1 1 86 86 GLU N N 86 119.756 119.756 120.013 -0.257 18868 4806 1 14 . 1 1 86 86 GLU C C 86 177.821 177.821 178.509 -0.688 18868 4807 1 14 . 1 1 86 86 GLU H H 86 8.790 8.790 8.241 0.549 18868 4808 1 14 . 1 1 87 87 ALA N N 87 112.780 112.780 119.659 -6.879 18868 4809 1 14 . 1 1 87 87 ALA H H 87 8.241 8.241 7.859 0.382 18868 4810 1 14 . 1 1 88 88 LEU N N 88 118.627 118.627 116.952 1.675 18868 4811 1 14 . 1 1 88 88 LEU CA C 88 57.900 57.900 55.300 2.600 18868 4812 1 14 . 1 1 88 88 LEU H H 88 8.384 8.384 7.218 1.166 18868 4813 1 14 . 1 1 89 89 LYS N N 89 118.552 118.552 120.085 -1.533 18868 4814 1 14 . 1 1 89 89 LYS C C 89 177.332 177.332 177.392 -0.060 18868 4815 1 14 . 1 1 89 89 LYS CA C 89 56.900 56.900 57.369 -0.469 18868 4816 1 14 . 1 1 89 89 LYS H H 89 7.854 7.854 7.663 0.191 18868 4817 1 15 . 1 1 3 3 SER N N 3 118.627 118.627 117.039 1.588 18868 4818 1 15 . 1 1 3 3 SER H H 3 8.384 8.384 8.576 -0.192 18868 4819 1 15 . 1 1 4 4 PRO C C 4 180.814 180.814 178.691 2.123 18868 4820 1 15 . 1 1 4 4 PRO CA C 4 66.500 66.500 65.822 0.678 18868 4821 1 15 . 1 1 5 5 LEU N N 5 119.501 119.501 119.081 0.420 18868 4822 1 15 . 1 1 5 5 LEU C C 5 179.272 179.272 178.602 0.670 18868 4823 1 15 . 1 1 5 5 LEU CA C 5 58.600 58.600 58.268 0.332 18868 4824 1 15 . 1 1 5 5 LEU H H 5 9.386 9.386 8.157 1.229 18868 4825 1 15 . 1 1 6 6 ASP N N 6 119.191 119.191 118.231 0.960 18868 4826 1 15 . 1 1 6 6 ASP C C 6 182.313 182.313 179.200 3.113 18868 4827 1 15 . 1 1 6 6 ASP CA C 6 58.000 58.000 57.698 0.302 18868 4828 1 15 . 1 1 6 6 ASP H H 6 7.912 7.912 8.436 -0.524 18868 4829 1 15 . 1 1 7 7 GLN N N 7 117.979 117.979 118.827 -0.848 18868 4830 1 15 . 1 1 7 7 GLN C C 7 179.998 179.998 178.497 1.501 18868 4831 1 15 . 1 1 7 7 GLN CA C 7 58.900 58.900 58.449 0.451 18868 4832 1 15 . 1 1 7 7 GLN H H 7 8.065 8.065 8.281 -0.216 18868 4833 1 15 . 1 1 8 8 ALA N N 8 124.008 124.008 123.472 0.536 18868 4834 1 15 . 1 1 8 8 ALA CA C 8 55.500 55.500 55.254 0.246 18868 4835 1 15 . 1 1 8 8 ALA H H 8 8.159 8.159 8.266 -0.107 18868 4836 1 15 . 1 1 9 9 ILE C C 9 179.258 179.258 178.407 0.851 18868 4837 1 15 . 1 1 9 9 ILE CA C 9 64.900 64.900 63.081 1.819 18868 4838 1 15 . 1 1 10 10 GLY N N 10 105.447 105.447 108.012 -2.565 18868 4839 1 15 . 1 1 10 10 GLY C C 10 177.984 177.984 176.392 1.592 18868 4840 1 15 . 1 1 10 10 GLY CA C 10 47.300 47.300 47.176 0.124 18868 4841 1 15 . 1 1 10 10 GLY H H 10 8.062 8.062 8.481 -0.419 18868 4842 1 15 . 1 1 11 11 LEU N N 11 124.755 124.755 123.112 1.643 18868 4843 1 15 . 1 1 11 11 LEU C C 11 178.346 178.346 178.374 -0.028 18868 4844 1 15 . 1 1 11 11 LEU CA C 11 58.000 58.000 57.314 0.686 18868 4845 1 15 . 1 1 11 11 LEU H H 11 8.067 8.067 7.803 0.264 18868 4846 1 15 . 1 1 12 12 LEU N N 12 121.609 121.609 119.552 2.057 18868 4847 1 15 . 1 1 12 12 LEU C C 12 182.560 182.560 179.523 3.037 18868 4848 1 15 . 1 1 12 12 LEU CA C 12 59.000 59.000 58.502 0.498 18868 4849 1 15 . 1 1 12 12 LEU H H 12 7.997 7.997 7.878 0.119 18868 4850 1 15 . 1 1 13 13 VAL N N 13 119.951 119.951 118.736 1.215 18868 4851 1 15 . 1 1 13 13 VAL C C 13 178.016 178.016 177.784 0.232 18868 4852 1 15 . 1 1 13 13 VAL CA C 13 67.100 67.100 66.911 0.189 18868 4853 1 15 . 1 1 13 13 VAL H H 13 8.087 8.087 8.065 0.022 18868 4854 1 15 . 1 1 14 14 ALA N N 14 122.867 122.867 122.782 0.085 18868 4855 1 15 . 1 1 14 14 ALA C C 14 175.380 175.380 179.808 -4.428 18868 4856 1 15 . 1 1 14 14 ALA CA C 14 55.600 55.600 55.227 0.373 18868 4857 1 15 . 1 1 14 14 ALA H H 14 8.363 8.363 7.659 0.704 18868 4858 1 15 . 1 1 15 15 ILE N N 15 118.496 118.496 118.657 -0.161 18868 4859 1 15 . 1 1 15 15 ILE C C 15 178.058 178.058 177.822 0.236 18868 4860 1 15 . 1 1 15 15 ILE CA C 15 64.800 64.800 64.959 -0.159 18868 4861 1 15 . 1 1 15 15 ILE H H 15 8.787 8.787 8.053 0.734 18868 4862 1 15 . 1 1 16 16 PHE N N 16 119.259 119.259 120.800 -1.541 18868 4863 1 15 . 1 1 16 16 PHE H H 16 7.171 7.171 8.090 -0.919 18868 4864 1 15 . 1 1 17 17 HIS C C 17 178.660 178.660 177.177 1.483 18868 4865 1 15 . 1 1 17 17 HIS CA C 17 54.800 54.800 56.316 -1.516 18868 4866 1 15 . 1 1 17 17 HIS CB C 17 30.000 30.000 29.236 0.764 18868 4867 1 15 . 1 1 18 18 LYS N N 18 122.924 122.924 120.523 2.401 18868 4868 1 15 . 1 1 18 18 LYS C C 18 180.221 180.221 176.892 3.329 18868 4869 1 15 . 1 1 18 18 LYS CA C 18 58.800 58.800 58.380 0.419 18868 4870 1 15 . 1 1 18 18 LYS CB C 18 40.200 40.200 32.415 7.785 18868 4871 1 15 . 1 1 18 18 LYS H H 18 8.880 8.880 7.515 1.365 18868 4872 1 15 . 1 1 19 19 TYR N N 19 120.227 120.227 115.587 4.640 18868 4873 1 15 . 1 1 19 19 TYR C C 19 178.435 178.435 175.160 3.275 18868 4874 1 15 . 1 1 19 19 TYR CA C 19 55.300 55.300 58.584 -3.284 18868 4875 1 15 . 1 1 19 19 TYR H H 19 8.879 8.879 7.525 1.354 18868 4876 1 15 . 1 1 20 20 SER N N 20 119.760 119.760 114.400 5.360 18868 4877 1 15 . 1 1 20 20 SER C C 20 178.376 178.376 175.490 2.886 18868 4878 1 15 . 1 1 20 20 SER CA C 20 56.900 56.900 59.040 -2.140 18868 4879 1 15 . 1 1 20 20 SER CB C 20 61.700 61.700 62.063 -0.363 18868 4880 1 15 . 1 1 20 20 SER H H 20 7.557 7.557 7.526 0.031 18868 4881 1 15 . 1 1 21 21 GLY N N 21 111.202 111.202 114.555 -3.353 18868 4882 1 15 . 1 1 21 21 GLY C C 21 174.862 174.862 174.224 0.638 18868 4883 1 15 . 1 1 21 21 GLY CA C 21 45.600 45.600 44.987 0.613 18868 4884 1 15 . 1 1 21 21 GLY H H 21 7.696 7.696 8.916 -1.220 18868 4885 1 15 . 1 1 22 22 ARG N N 22 122.200 122.200 118.764 3.436 18868 4886 1 15 . 1 1 22 22 ARG C C 22 178.336 178.336 176.177 2.159 18868 4887 1 15 . 1 1 22 22 ARG CA C 22 59.500 59.500 57.227 2.273 18868 4888 1 15 . 1 1 22 22 ARG CB C 22 30.500 30.500 31.452 -0.952 18868 4889 1 15 . 1 1 22 22 ARG H H 22 7.311 7.311 9.007 -1.696 18868 4890 1 15 . 1 1 23 23 GLU N N 23 115.984 115.984 118.509 -2.525 18868 4891 1 15 . 1 1 23 23 GLU C C 23 177.129 177.129 176.606 0.523 18868 4892 1 15 . 1 1 23 23 GLU CA C 23 54.300 54.300 55.164 -0.864 18868 4893 1 15 . 1 1 23 23 GLU CB C 23 33.200 33.200 31.352 1.847 18868 4894 1 15 . 1 1 23 23 GLU H H 23 9.488 9.488 8.274 1.214 18868 4895 1 15 . 1 1 24 24 GLY N N 24 114.031 114.031 113.345 0.686 18868 4896 1 15 . 1 1 24 24 GLY C C 24 174.499 174.499 174.419 0.080 18868 4897 1 15 . 1 1 24 24 GLY CA C 24 45.900 45.900 46.485 -0.585 18868 4898 1 15 . 1 1 24 24 GLY H H 24 9.048 9.048 8.676 0.372 18868 4899 1 15 . 1 1 25 25 ASP N N 25 125.634 125.634 122.862 2.772 18868 4900 1 15 . 1 1 25 25 ASP C C 25 177.998 177.998 175.853 2.145 18868 4901 1 15 . 1 1 25 25 ASP CA C 25 55.000 55.000 52.719 2.281 18868 4902 1 15 . 1 1 25 25 ASP H H 25 8.249 8.249 8.286 -0.037 18868 4903 1 15 . 1 1 26 26 LYS N N 26 121.469 121.469 117.836 3.633 18868 4904 1 15 . 1 1 26 26 LYS CA C 26 57.600 57.600 56.197 1.403 18868 4905 1 15 . 1 1 26 26 LYS CB C 26 37.800 37.800 33.443 4.357 18868 4906 1 15 . 1 1 26 26 LYS H H 26 9.043 9.043 8.586 0.457 18868 4907 1 15 . 1 1 27 27 HIS N N 27 112.780 112.780 117.039 -4.259 18868 4908 1 15 . 1 1 27 27 HIS C C 27 175.067 175.067 174.066 1.001 18868 4909 1 15 . 1 1 27 27 HIS CA C 27 55.300 55.300 57.181 -1.881 18868 4910 1 15 . 1 1 27 27 HIS CB C 27 30.300 30.300 31.148 -0.848 18868 4911 1 15 . 1 1 27 27 HIS H H 27 8.241 8.241 8.635 -0.394 18868 4912 1 15 . 1 1 28 28 THR N N 28 106.447 106.447 109.916 -3.469 18868 4913 1 15 . 1 1 28 28 THR C C 28 174.469 174.469 172.708 1.761 18868 4914 1 15 . 1 1 28 28 THR CA C 28 60.000 60.000 60.313 -0.313 18868 4915 1 15 . 1 1 28 28 THR H H 28 7.248 7.248 7.546 -0.298 18868 4916 1 15 . 1 1 29 29 LEU N N 29 125.037 125.037 122.157 2.880 18868 4917 1 15 . 1 1 29 29 LEU C C 29 180.751 180.751 176.162 4.589 18868 4918 1 15 . 1 1 29 29 LEU CA C 29 55.200 55.200 53.533 1.667 18868 4919 1 15 . 1 1 29 29 LEU CB C 29 41.800 41.800 44.497 -2.697 18868 4920 1 15 . 1 1 29 29 LEU H H 29 9.421 9.421 8.867 0.554 18868 4921 1 15 . 1 1 30 30 SER N N 30 131.373 131.373 119.992 11.381 18868 4922 1 15 . 1 1 30 30 SER C C 30 177.946 177.946 176.078 1.868 18868 4923 1 15 . 1 1 30 30 SER CA C 30 57.900 57.900 57.856 0.044 18868 4924 1 15 . 1 1 30 30 SER H H 30 9.312 9.312 9.680 -0.368 18868 4925 1 15 . 1 1 31 31 LYS N N 31 117.689 117.689 119.118 -1.429 18868 4926 1 15 . 1 1 31 31 LYS CA C 31 57.800 57.800 58.005 -0.205 18868 4927 1 15 . 1 1 31 31 LYS H H 31 9.659 9.659 8.873 0.786 18868 4928 1 15 . 1 1 32 32 LYS C C 32 180.677 180.677 178.032 2.645 18868 4929 1 15 . 1 1 32 32 LYS CA C 32 59.800 59.800 58.630 1.170 18868 4930 1 15 . 1 1 33 33 GLU N N 33 120.336 120.336 120.841 -0.505 18868 4931 1 15 . 1 1 33 33 GLU C C 33 179.654 179.654 178.896 0.758 18868 4932 1 15 . 1 1 33 33 GLU CA C 33 59.300 59.300 59.844 -0.544 18868 4933 1 15 . 1 1 33 33 GLU H H 33 7.608 7.608 7.804 -0.196 18868 4934 1 15 . 1 1 34 34 LEU N N 34 117.303 117.303 120.585 -3.282 18868 4935 1 15 . 1 1 34 34 LEU C C 34 179.420 179.420 178.191 1.229 18868 4936 1 15 . 1 1 34 34 LEU CA C 34 58.200 58.200 58.322 -0.122 18868 4937 1 15 . 1 1 34 34 LEU H H 34 7.659 7.659 8.215 -0.556 18868 4938 1 15 . 1 1 35 35 LYS N N 35 116.520 116.520 119.276 -2.756 18868 4939 1 15 . 1 1 35 35 LYS CA C 35 60.700 60.700 60.026 0.674 18868 4940 1 15 . 1 1 35 35 LYS CB C 35 32.000 32.000 31.695 0.305 18868 4941 1 15 . 1 1 35 35 LYS H H 35 7.731 7.731 8.088 -0.357 18868 4942 1 15 . 1 1 36 36 GLU N N 36 118.365 118.365 118.807 -0.442 18868 4943 1 15 . 1 1 36 36 GLU C C 36 177.868 177.868 178.434 -0.566 18868 4944 1 15 . 1 1 36 36 GLU CA C 36 59.700 59.700 58.994 0.706 18868 4945 1 15 . 1 1 36 36 GLU CB C 36 29.300 29.300 29.778 -0.478 18868 4946 1 15 . 1 1 36 36 GLU H H 36 7.871 7.871 7.642 0.229 18868 4947 1 15 . 1 1 37 37 LEU N N 37 121.068 121.068 120.305 0.763 18868 4948 1 15 . 1 1 37 37 LEU C C 37 176.731 176.731 178.252 -1.521 18868 4949 1 15 . 1 1 37 37 LEU CA C 37 59.500 59.500 57.592 1.908 18868 4950 1 15 . 1 1 37 37 LEU CB C 37 42.700 42.700 41.982 0.718 18868 4951 1 15 . 1 1 37 37 LEU H H 37 7.513 7.513 7.537 -0.024 18868 4952 1 15 . 1 1 38 38 ILE N N 38 117.867 117.867 118.303 -0.436 18868 4953 1 15 . 1 1 38 38 ILE C C 38 178.658 178.658 178.508 0.150 18868 4954 1 15 . 1 1 38 38 ILE CA C 38 65.300 65.300 65.247 0.053 18868 4955 1 15 . 1 1 38 38 ILE H H 38 8.206 8.206 8.143 0.063 18868 4956 1 15 . 1 1 39 39 GLN N N 39 114.147 114.147 116.482 -2.335 18868 4957 1 15 . 1 1 39 39 GLN C C 39 180.003 180.003 176.941 3.062 18868 4958 1 15 . 1 1 39 39 GLN CA C 39 59.500 59.500 58.010 1.490 18868 4959 1 15 . 1 1 39 39 GLN H H 39 8.238 8.238 8.223 0.015 18868 4960 1 15 . 1 1 40 40 LYS N N 40 115.051 115.051 119.150 -4.099 18868 4961 1 15 . 1 1 40 40 LYS C C 40 180.483 180.483 177.549 2.934 18868 4962 1 15 . 1 1 40 40 LYS CA C 40 57.500 57.500 57.679 -0.179 18868 4963 1 15 . 1 1 40 40 LYS H H 40 8.298 8.298 7.628 0.670 18868 4964 1 15 . 1 1 41 41 GLU N N 41 112.448 112.448 117.462 -5.014 18868 4965 1 15 . 1 1 41 41 GLU C C 41 178.252 178.252 176.994 1.258 18868 4966 1 15 . 1 1 41 41 GLU CA C 41 55.700 55.700 56.820 -1.120 18868 4967 1 15 . 1 1 41 41 GLU H H 41 8.328 8.328 8.323 0.005 18868 4968 1 15 . 1 1 42 42 LEU N N 42 118.693 118.693 121.789 -3.096 18868 4969 1 15 . 1 1 42 42 LEU C C 42 179.377 179.377 176.866 2.511 18868 4970 1 15 . 1 1 42 42 LEU CA C 42 53.300 53.300 53.983 -0.683 18868 4971 1 15 . 1 1 42 42 LEU H H 42 7.361 7.361 7.354 0.007 18868 4972 1 15 . 1 1 43 43 THR N N 43 125.535 125.535 122.084 3.451 18868 4973 1 15 . 1 1 43 43 THR C C 43 180.403 180.403 176.233 4.170 18868 4974 1 15 . 1 1 43 43 THR CA C 43 67.300 67.300 66.440 0.860 18868 4975 1 15 . 1 1 43 43 THR H H 43 9.926 9.926 8.841 1.085 18868 4976 1 15 . 1 1 44 44 ILE N N 44 116.467 116.467 119.954 -3.487 18868 4977 1 15 . 1 1 44 44 ILE C C 44 178.107 178.107 177.252 0.855 18868 4978 1 15 . 1 1 44 44 ILE CA C 44 62.400 62.400 60.173 2.227 18868 4979 1 15 . 1 1 44 44 ILE CB C 44 38.300 38.300 37.760 0.540 18868 4980 1 15 . 1 1 44 44 ILE H H 44 8.214 8.214 8.074 0.140 18868 4981 1 15 . 1 1 45 45 GLY N N 45 108.241 108.241 109.576 -1.335 18868 4982 1 15 . 1 1 45 45 GLY C C 45 176.355 176.355 176.135 0.220 18868 4983 1 15 . 1 1 45 45 GLY CA C 45 47.400 47.400 47.363 0.037 18868 4984 1 15 . 1 1 45 45 GLY H H 45 7.750 7.750 7.687 0.063 18868 4985 1 15 . 1 1 46 46 SER N N 46 113.635 113.635 113.979 -0.344 18868 4986 1 15 . 1 1 46 46 SER C C 46 176.007 176.007 175.144 0.863 18868 4987 1 15 . 1 1 46 46 SER CA C 46 60.100 60.100 59.879 0.221 18868 4988 1 15 . 1 1 46 46 SER H H 46 7.847 7.847 7.797 0.050 18868 4989 1 15 . 1 1 47 47 LYS N N 47 119.437 119.437 119.732 -0.295 18868 4990 1 15 . 1 1 47 47 LYS C C 47 178.100 178.100 176.294 1.806 18868 4991 1 15 . 1 1 47 47 LYS CA C 47 56.000 56.000 55.853 0.147 18868 4992 1 15 . 1 1 47 47 LYS CB C 47 33.400 33.400 33.071 0.329 18868 4993 1 15 . 1 1 47 47 LYS H H 47 7.709 7.709 7.404 0.305 18868 4994 1 15 . 1 1 48 48 LEU N N 48 120.169 120.169 120.766 -0.597 18868 4995 1 15 . 1 1 48 48 LEU C C 48 178.009 178.009 176.529 1.480 18868 4996 1 15 . 1 1 48 48 LEU CA C 48 55.000 55.000 53.999 1.001 18868 4997 1 15 . 1 1 48 48 LEU H H 48 7.139 7.139 7.314 -0.175 18868 4998 1 15 . 1 1 49 49 GLN N N 49 121.739 121.739 119.810 1.929 18868 4999 1 15 . 1 1 49 49 GLN C C 49 179.051 179.051 176.258 2.793 18868 5000 1 15 . 1 1 49 49 GLN CA C 49 55.800 55.800 55.578 0.222 18868 5001 1 15 . 1 1 49 49 GLN H H 49 7.917 7.917 8.202 -0.285 18868 5002 1 15 . 1 1 50 50 ASP N N 50 119.121 119.121 122.333 -3.212 18868 5003 1 15 . 1 1 50 50 ASP C C 50 178.335 178.335 177.642 0.693 18868 5004 1 15 . 1 1 50 50 ASP CA C 50 59.300 59.300 57.812 1.488 18868 5005 1 15 . 1 1 50 50 ASP H H 50 7.597 7.597 8.868 -1.271 18868 5006 1 15 . 1 1 51 51 ALA N N 51 116.624 116.624 121.470 -4.846 18868 5007 1 15 . 1 1 51 51 ALA C C 51 181.587 181.587 179.754 1.833 18868 5008 1 15 . 1 1 51 51 ALA CA C 51 57.700 57.700 55.208 2.492 18868 5009 1 15 . 1 1 51 51 ALA H H 51 7.560 7.560 8.549 -0.989 18868 5010 1 15 . 1 1 52 52 GLU N N 52 118.931 118.931 118.651 0.280 18868 5011 1 15 . 1 1 52 52 GLU C C 52 180.495 180.495 179.153 1.342 18868 5012 1 15 . 1 1 52 52 GLU CA C 52 58.900 58.900 59.108 -0.208 18868 5013 1 15 . 1 1 52 52 GLU H H 52 8.511 8.511 8.424 0.087 18868 5014 1 15 . 1 1 53 53 ILE N N 53 120.400 120.400 120.369 0.031 18868 5015 1 15 . 1 1 53 53 ILE CA C 53 59.000 59.000 65.163 -6.163 18868 5016 1 15 . 1 1 53 53 ILE H H 53 7.905 7.905 8.303 -0.398 18868 5017 1 15 . 1 1 54 54 ALA C C 54 181.477 181.477 179.300 2.177 18868 5018 1 15 . 1 1 54 54 ALA CA C 54 55.600 55.600 55.208 0.392 18868 5019 1 15 . 1 1 55 55 ARG N N 55 118.315 118.315 119.084 -0.769 18868 5020 1 15 . 1 1 55 55 ARG C C 55 179.468 179.468 178.501 0.967 18868 5021 1 15 . 1 1 55 55 ARG CA C 55 59.100 59.100 58.943 0.157 18868 5022 1 15 . 1 1 55 55 ARG H H 55 7.448 7.448 7.913 -0.465 18868 5023 1 15 . 1 1 56 56 LEU N N 56 120.310 120.310 121.252 -0.942 18868 5024 1 15 . 1 1 56 56 LEU C C 56 179.984 179.984 178.598 1.386 18868 5025 1 15 . 1 1 56 56 LEU CA C 56 58.000 58.000 57.895 0.105 18868 5026 1 15 . 1 1 56 56 LEU H H 56 7.672 7.672 8.239 -0.567 18868 5027 1 15 . 1 1 57 57 MET N N 57 115.780 115.780 115.525 0.255 18868 5028 1 15 . 1 1 57 57 MET C C 57 179.083 179.083 178.073 1.010 18868 5029 1 15 . 1 1 57 57 MET H H 57 8.354 8.354 8.432 -0.078 18868 5030 1 15 . 1 1 58 58 GLU N N 58 117.826 117.826 119.787 -1.961 18868 5031 1 15 . 1 1 58 58 GLU C C 58 179.161 179.161 177.994 1.167 18868 5032 1 15 . 1 1 58 58 GLU CA C 58 59.300 59.300 58.449 0.851 18868 5033 1 15 . 1 1 58 58 GLU CB C 58 31.100 31.100 29.275 1.825 18868 5034 1 15 . 1 1 58 58 GLU H H 58 7.620 7.620 7.630 -0.010 18868 5035 1 15 . 1 1 59 59 ASP N N 59 117.801 117.801 121.162 -3.361 18868 5036 1 15 . 1 1 59 59 ASP CA C 59 57.200 57.200 56.920 0.280 18868 5037 1 15 . 1 1 59 59 ASP H H 59 8.693 8.693 7.835 0.858 18868 5038 1 15 . 1 1 60 60 LEU N N 60 117.370 117.370 117.467 -0.097 18868 5039 1 15 . 1 1 60 60 LEU C C 60 179.216 179.216 176.543 2.673 18868 5040 1 15 . 1 1 60 60 LEU CA C 60 56.200 56.200 56.617 -0.417 18868 5041 1 15 . 1 1 60 60 LEU H H 60 8.159 8.159 7.696 0.463 18868 5042 1 15 . 1 1 61 61 ASP N N 61 117.835 117.835 117.393 0.442 18868 5043 1 15 . 1 1 61 61 ASP C C 61 178.473 178.473 176.641 1.832 18868 5044 1 15 . 1 1 61 61 ASP CA C 61 52.800 52.800 55.364 -2.564 18868 5045 1 15 . 1 1 61 61 ASP CB C 61 39.100 39.100 40.990 -1.890 18868 5046 1 15 . 1 1 61 61 ASP H H 61 7.559 7.559 7.582 -0.023 18868 5047 1 15 . 1 1 62 62 ARG N N 62 125.783 125.783 127.331 -1.548 18868 5048 1 15 . 1 1 62 62 ARG C C 62 178.519 178.519 177.482 1.037 18868 5049 1 15 . 1 1 62 62 ARG CA C 62 58.500 58.500 56.359 2.141 18868 5050 1 15 . 1 1 62 62 ARG CB C 62 30.200 30.200 31.478 -1.278 18868 5051 1 15 . 1 1 62 62 ARG H H 62 7.839 7.839 9.318 -1.479 18868 5052 1 15 . 1 1 63 63 ASN N N 63 112.348 112.348 117.230 -4.882 18868 5053 1 15 . 1 1 63 63 ASN C C 63 175.597 175.597 175.185 0.412 18868 5054 1 15 . 1 1 63 63 ASN CA C 63 51.900 51.900 53.207 -1.307 18868 5055 1 15 . 1 1 63 63 ASN CB C 63 36.700 36.700 39.293 -2.593 18868 5056 1 15 . 1 1 63 63 ASN H H 63 7.899 7.899 7.935 -0.036 18868 5057 1 15 . 1 1 64 64 LYS N N 64 114.407 114.407 118.915 -4.508 18868 5058 1 15 . 1 1 64 64 LYS C C 64 176.731 176.731 175.085 1.646 18868 5059 1 15 . 1 1 64 64 LYS CA C 64 59.500 59.500 57.401 2.099 18868 5060 1 15 . 1 1 64 64 LYS H H 64 7.485 7.485 8.338 -0.853 18868 5061 1 15 . 1 1 65 65 ASP N N 65 117.880 117.880 118.994 -1.114 18868 5062 1 15 . 1 1 65 65 ASP C C 65 177.981 177.981 176.460 1.521 18868 5063 1 15 . 1 1 65 65 ASP CA C 65 52.900 52.900 54.179 -1.279 18868 5064 1 15 . 1 1 65 65 ASP H H 65 8.184 8.184 8.618 -0.434 18868 5065 1 15 . 1 1 66 66 GLN N N 66 114.037 114.037 114.161 -0.124 18868 5066 1 15 . 1 1 66 66 GLN C C 66 175.374 175.374 174.488 0.886 18868 5067 1 15 . 1 1 66 66 GLN CA C 66 57.900 57.900 57.917 -0.017 18868 5068 1 15 . 1 1 66 66 GLN CB C 66 26.200 26.200 26.415 -0.215 18868 5069 1 15 . 1 1 66 66 GLN H H 66 9.917 9.917 8.286 1.631 18868 5070 1 15 . 1 1 67 67 GLU N N 67 117.611 117.611 118.993 -1.382 18868 5071 1 15 . 1 1 67 67 GLU C C 67 176.826 176.826 175.987 0.839 18868 5072 1 15 . 1 1 67 67 GLU CA C 67 54.000 54.000 54.541 -0.541 18868 5073 1 15 . 1 1 67 67 GLU CB C 67 33.100 33.100 29.970 3.130 18868 5074 1 15 . 1 1 67 67 GLU H H 67 7.800 7.800 8.711 -0.911 18868 5075 1 15 . 1 1 68 68 VAL N N 68 126.064 126.064 125.757 0.307 18868 5076 1 15 . 1 1 68 68 VAL C C 68 177.398 177.398 175.942 1.456 18868 5077 1 15 . 1 1 68 68 VAL CA C 68 61.100 61.100 63.707 -2.607 18868 5078 1 15 . 1 1 68 68 VAL CB C 68 33.300 33.300 30.864 2.436 18868 5079 1 15 . 1 1 68 68 VAL H H 68 9.656 9.656 8.191 1.465 18868 5080 1 15 . 1 1 69 69 ASN N N 69 127.002 127.002 126.583 0.419 18868 5081 1 15 . 1 1 69 69 ASN C C 69 175.438 175.438 175.724 -0.286 18868 5082 1 15 . 1 1 69 69 ASN CA C 69 51.200 51.200 51.953 -0.753 18868 5083 1 15 . 1 1 69 69 ASN H H 69 9.036 9.036 9.310 -0.274 18868 5084 1 15 . 1 1 70 70 PHE N N 70 119.437 119.437 119.477 -0.040 18868 5085 1 15 . 1 1 70 70 PHE C C 70 177.652 177.652 177.302 0.350 18868 5086 1 15 . 1 1 70 70 PHE CA C 70 63.300 63.300 62.380 0.920 18868 5087 1 15 . 1 1 70 70 PHE H H 70 9.055 9.055 9.191 -0.136 18868 5088 1 15 . 1 1 71 71 GLN N N 71 117.576 117.576 116.941 0.635 18868 5089 1 15 . 1 1 71 71 GLN C C 71 180.488 180.488 178.527 1.961 18868 5090 1 15 . 1 1 71 71 GLN CA C 71 60.100 60.100 59.331 0.769 18868 5091 1 15 . 1 1 71 71 GLN CB C 71 27.900 27.900 28.456 -0.556 18868 5092 1 15 . 1 1 71 71 GLN H H 71 8.273 8.273 8.947 -0.674 18868 5093 1 15 . 1 1 72 72 GLU N N 72 119.971 119.971 119.800 0.171 18868 5094 1 15 . 1 1 72 72 GLU C C 72 179.001 179.001 178.754 0.247 18868 5095 1 15 . 1 1 72 72 GLU CA C 72 58.700 58.700 58.827 -0.127 18868 5096 1 15 . 1 1 72 72 GLU H H 72 8.631 8.631 7.591 1.040 18868 5097 1 15 . 1 1 73 73 TYR N N 73 120.475 120.475 121.572 -1.097 18868 5098 1 15 . 1 1 73 73 TYR C C 73 180.040 180.040 177.215 2.825 18868 5099 1 15 . 1 1 73 73 TYR H H 73 7.721 7.721 8.233 -0.512 18868 5100 1 15 . 1 1 74 74 VAL N N 74 119.604 119.604 118.680 0.924 18868 5101 1 15 . 1 1 74 74 VAL C C 74 177.821 177.821 177.596 0.225 18868 5102 1 15 . 1 1 74 74 VAL CA C 74 60.200 60.200 67.024 -6.824 18868 5103 1 15 . 1 1 74 74 VAL CB C 74 33.800 33.800 30.831 2.969 18868 5104 1 15 . 1 1 74 74 VAL H H 74 8.147 8.147 8.108 0.039 18868 5105 1 15 . 1 1 75 75 THR N N 75 124.638 124.638 116.452 8.186 18868 5106 1 15 . 1 1 75 75 THR C C 75 179.971 179.971 176.317 3.654 18868 5107 1 15 . 1 1 75 75 THR CA C 75 60.600 60.600 67.154 -6.554 18868 5108 1 15 . 1 1 75 75 THR H H 75 7.714 7.714 7.418 0.296 18868 5109 1 15 . 1 1 76 76 PHE N N 76 116.963 116.963 122.159 -5.196 18868 5110 1 15 . 1 1 76 76 PHE C C 76 177.695 177.695 176.322 1.373 18868 5111 1 15 . 1 1 76 76 PHE CA C 76 60.000 60.000 60.208 -0.208 18868 5112 1 15 . 1 1 76 76 PHE H H 76 7.864 7.864 7.310 0.554 18868 5113 1 15 . 1 1 77 77 LEU N N 77 117.568 117.568 118.966 -1.398 18868 5114 1 15 . 1 1 77 77 LEU C C 77 180.668 180.668 178.783 1.885 18868 5115 1 15 . 1 1 77 77 LEU CA C 77 57.800 57.800 57.297 0.503 18868 5116 1 15 . 1 1 77 77 LEU H H 77 7.913 7.913 7.576 0.337 18868 5117 1 15 . 1 1 78 78 GLY N N 78 104.257 104.257 106.473 -2.216 18868 5118 1 15 . 1 1 78 78 GLY C C 78 176.062 176.062 175.392 0.670 18868 5119 1 15 . 1 1 78 78 GLY CA C 78 47.600 47.600 47.011 0.589 18868 5120 1 15 . 1 1 78 78 GLY H H 78 8.057 8.057 8.484 -0.427 18868 5121 1 15 . 1 1 79 79 ALA N N 79 124.122 124.122 125.073 -0.951 18868 5122 1 15 . 1 1 79 79 ALA C C 79 182.313 182.313 179.623 2.690 18868 5123 1 15 . 1 1 79 79 ALA CA C 79 55.100 55.100 54.850 0.250 18868 5124 1 15 . 1 1 79 79 ALA H H 79 7.804 7.804 7.840 -0.036 18868 5125 1 15 . 1 1 80 80 LEU N N 80 117.976 117.976 118.792 -0.816 18868 5126 1 15 . 1 1 80 80 LEU C C 80 178.389 178.389 179.156 -0.767 18868 5127 1 15 . 1 1 80 80 LEU CA C 80 57.400 57.400 57.524 -0.124 18868 5128 1 15 . 1 1 80 80 LEU H H 80 8.045 8.045 7.753 0.292 18868 5129 1 15 . 1 1 81 81 ALA N N 81 121.199 121.199 122.138 -0.939 18868 5130 1 15 . 1 1 81 81 ALA C C 81 181.617 181.617 179.699 1.918 18868 5131 1 15 . 1 1 81 81 ALA CA C 81 55.300 55.300 55.110 0.190 18868 5132 1 15 . 1 1 81 81 ALA H H 81 8.152 8.152 7.894 0.258 18868 5133 1 15 . 1 1 82 82 LEU N N 82 117.392 117.392 119.257 -1.865 18868 5134 1 15 . 1 1 82 82 LEU C C 82 180.828 180.828 179.258 1.570 18868 5135 1 15 . 1 1 82 82 LEU CA C 82 58.800 58.800 58.113 0.687 18868 5136 1 15 . 1 1 82 82 LEU H H 82 7.238 7.238 7.977 -0.739 18868 5137 1 15 . 1 1 83 83 ILE N N 83 124.342 124.342 119.475 4.867 18868 5138 1 15 . 1 1 83 83 ILE C C 83 177.495 177.495 178.206 -0.711 18868 5139 1 15 . 1 1 83 83 ILE CA C 83 60.500 60.500 65.498 -4.998 18868 5140 1 15 . 1 1 83 83 ILE H H 83 8.726 8.726 7.854 0.872 18868 5141 1 15 . 1 1 84 84 TYR N N 84 120.026 120.026 118.939 1.087 18868 5142 1 15 . 1 1 84 84 TYR C C 84 177.236 177.236 178.154 -0.918 18868 5143 1 15 . 1 1 84 84 TYR CA C 84 56.900 56.900 62.412 -5.512 18868 5144 1 15 . 1 1 84 84 TYR H H 84 8.241 8.241 8.068 0.173 18868 5145 1 15 . 1 1 85 85 ASN N N 85 117.125 117.125 116.593 0.532 18868 5146 1 15 . 1 1 85 85 ASN C C 85 175.508 175.508 177.450 -1.942 18868 5147 1 15 . 1 1 85 85 ASN CA C 85 56.600 56.600 55.584 1.016 18868 5148 1 15 . 1 1 85 85 ASN H H 85 7.681 7.681 7.960 -0.279 18868 5149 1 15 . 1 1 86 86 GLU N N 86 119.756 119.756 118.906 0.850 18868 5150 1 15 . 1 1 86 86 GLU C C 86 177.821 177.821 178.530 -0.709 18868 5151 1 15 . 1 1 86 86 GLU H H 86 8.790 8.790 8.356 0.434 18868 5152 1 15 . 1 1 87 87 ALA N N 87 112.780 112.780 120.319 -7.539 18868 5153 1 15 . 1 1 87 87 ALA H H 87 8.241 8.241 7.576 0.665 18868 5154 1 15 . 1 1 88 88 LEU N N 88 118.627 118.627 116.427 2.200 18868 5155 1 15 . 1 1 88 88 LEU CA C 88 57.900 57.900 55.210 2.690 18868 5156 1 15 . 1 1 88 88 LEU H H 88 8.384 8.384 7.195 1.189 18868 5157 1 15 . 1 1 89 89 LYS N N 89 118.552 118.552 120.056 -1.504 18868 5158 1 15 . 1 1 89 89 LYS C C 89 177.332 177.332 176.988 0.344 18868 5159 1 15 . 1 1 89 89 LYS CA C 89 56.900 56.900 56.697 0.203 18868 5160 1 15 . 1 1 89 89 LYS H H 89 7.854 7.854 7.412 0.442 18868 5161 1 16 . 1 1 3 3 SER N N 3 118.627 118.627 117.489 1.138 18868 5162 1 16 . 1 1 3 3 SER H H 3 8.384 8.384 8.661 -0.277 18868 5163 1 16 . 1 1 4 4 PRO C C 4 180.814 180.814 178.749 2.065 18868 5164 1 16 . 1 1 4 4 PRO CA C 4 66.500 66.500 65.980 0.520 18868 5165 1 16 . 1 1 5 5 LEU N N 5 119.501 119.501 118.094 1.407 18868 5166 1 16 . 1 1 5 5 LEU C C 5 179.272 179.272 178.445 0.827 18868 5167 1 16 . 1 1 5 5 LEU CA C 5 58.600 58.600 58.205 0.395 18868 5168 1 16 . 1 1 5 5 LEU H H 5 9.386 9.386 8.088 1.298 18868 5169 1 16 . 1 1 6 6 ASP N N 6 119.191 119.191 118.669 0.522 18868 5170 1 16 . 1 1 6 6 ASP C C 6 182.313 182.313 178.993 3.320 18868 5171 1 16 . 1 1 6 6 ASP CA C 6 58.000 58.000 57.777 0.223 18868 5172 1 16 . 1 1 6 6 ASP H H 6 7.912 7.912 7.883 0.029 18868 5173 1 16 . 1 1 7 7 GLN N N 7 117.979 117.979 118.575 -0.596 18868 5174 1 16 . 1 1 7 7 GLN C C 7 179.998 179.998 178.455 1.543 18868 5175 1 16 . 1 1 7 7 GLN CA C 7 58.900 58.900 58.574 0.326 18868 5176 1 16 . 1 1 7 7 GLN H H 7 8.065 8.065 8.234 -0.169 18868 5177 1 16 . 1 1 8 8 ALA N N 8 124.008 124.008 123.414 0.594 18868 5178 1 16 . 1 1 8 8 ALA CA C 8 55.500 55.500 55.216 0.284 18868 5179 1 16 . 1 1 8 8 ALA H H 8 8.159 8.159 7.990 0.169 18868 5180 1 16 . 1 1 9 9 ILE C C 9 179.258 179.258 178.436 0.822 18868 5181 1 16 . 1 1 9 9 ILE CA C 9 64.900 64.900 63.066 1.834 18868 5182 1 16 . 1 1 10 10 GLY N N 10 105.447 105.447 108.268 -2.821 18868 5183 1 16 . 1 1 10 10 GLY C C 10 177.984 177.984 176.287 1.697 18868 5184 1 16 . 1 1 10 10 GLY CA C 10 47.300 47.300 47.232 0.068 18868 5185 1 16 . 1 1 10 10 GLY H H 10 8.062 8.062 8.604 -0.542 18868 5186 1 16 . 1 1 11 11 LEU N N 11 124.755 124.755 123.243 1.512 18868 5187 1 16 . 1 1 11 11 LEU C C 11 178.346 178.346 178.503 -0.157 18868 5188 1 16 . 1 1 11 11 LEU CA C 11 58.000 58.000 57.646 0.354 18868 5189 1 16 . 1 1 11 11 LEU H H 11 8.067 8.067 7.942 0.125 18868 5190 1 16 . 1 1 12 12 LEU N N 12 121.609 121.609 118.966 2.643 18868 5191 1 16 . 1 1 12 12 LEU C C 12 182.560 182.560 179.760 2.800 18868 5192 1 16 . 1 1 12 12 LEU CA C 12 59.000 59.000 58.279 0.721 18868 5193 1 16 . 1 1 12 12 LEU H H 12 7.997 7.997 7.948 0.049 18868 5194 1 16 . 1 1 13 13 VAL N N 13 119.951 119.951 118.953 0.998 18868 5195 1 16 . 1 1 13 13 VAL C C 13 178.016 178.016 177.778 0.238 18868 5196 1 16 . 1 1 13 13 VAL CA C 13 67.100 67.100 66.555 0.545 18868 5197 1 16 . 1 1 13 13 VAL H H 13 8.087 8.087 8.084 0.003 18868 5198 1 16 . 1 1 14 14 ALA N N 14 122.867 122.867 123.235 -0.368 18868 5199 1 16 . 1 1 14 14 ALA C C 14 175.380 175.380 180.021 -4.641 18868 5200 1 16 . 1 1 14 14 ALA CA C 14 55.600 55.600 55.344 0.256 18868 5201 1 16 . 1 1 14 14 ALA H H 14 8.363 8.363 8.046 0.317 18868 5202 1 16 . 1 1 15 15 ILE N N 15 118.496 118.496 118.815 -0.319 18868 5203 1 16 . 1 1 15 15 ILE C C 15 178.058 178.058 177.909 0.149 18868 5204 1 16 . 1 1 15 15 ILE CA C 15 64.800 64.800 65.224 -0.424 18868 5205 1 16 . 1 1 15 15 ILE H H 15 8.787 8.787 8.268 0.519 18868 5206 1 16 . 1 1 16 16 PHE N N 16 119.259 119.259 120.850 -1.591 18868 5207 1 16 . 1 1 16 16 PHE H H 16 7.171 7.171 7.622 -0.451 18868 5208 1 16 . 1 1 17 17 HIS C C 17 178.660 178.660 178.023 0.637 18868 5209 1 16 . 1 1 17 17 HIS CA C 17 54.800 54.800 56.787 -1.987 18868 5210 1 16 . 1 1 17 17 HIS CB C 17 30.000 30.000 29.605 0.395 18868 5211 1 16 . 1 1 18 18 LYS N N 18 122.924 122.924 119.905 3.019 18868 5212 1 16 . 1 1 18 18 LYS C C 18 180.221 180.221 176.771 3.450 18868 5213 1 16 . 1 1 18 18 LYS CA C 18 58.800 58.800 58.452 0.348 18868 5214 1 16 . 1 1 18 18 LYS CB C 18 40.200 40.200 32.195 8.005 18868 5215 1 16 . 1 1 18 18 LYS H H 18 8.880 8.880 7.968 0.912 18868 5216 1 16 . 1 1 19 19 TYR N N 19 120.227 120.227 114.909 5.318 18868 5217 1 16 . 1 1 19 19 TYR C C 19 178.435 178.435 175.261 3.174 18868 5218 1 16 . 1 1 19 19 TYR CA C 19 55.300 55.300 58.891 -3.591 18868 5219 1 16 . 1 1 19 19 TYR H H 19 8.879 8.879 7.463 1.416 18868 5220 1 16 . 1 1 20 20 SER N N 20 119.760 119.760 115.662 4.098 18868 5221 1 16 . 1 1 20 20 SER C C 20 178.376 178.376 175.461 2.915 18868 5222 1 16 . 1 1 20 20 SER CA C 20 56.900 56.900 59.425 -2.525 18868 5223 1 16 . 1 1 20 20 SER CB C 20 61.700 61.700 61.968 -0.268 18868 5224 1 16 . 1 1 20 20 SER H H 20 7.557 7.557 7.808 -0.251 18868 5225 1 16 . 1 1 21 21 GLY N N 21 111.202 111.202 114.935 -3.733 18868 5226 1 16 . 1 1 21 21 GLY C C 21 174.862 174.862 174.329 0.533 18868 5227 1 16 . 1 1 21 21 GLY CA C 21 45.600 45.600 44.905 0.695 18868 5228 1 16 . 1 1 21 21 GLY H H 21 7.696 7.696 8.714 -1.018 18868 5229 1 16 . 1 1 22 22 ARG N N 22 122.200 122.200 120.138 2.062 18868 5230 1 16 . 1 1 22 22 ARG C C 22 178.336 178.336 176.344 1.992 18868 5231 1 16 . 1 1 22 22 ARG CA C 22 59.500 59.500 58.008 1.492 18868 5232 1 16 . 1 1 22 22 ARG CB C 22 30.500 30.500 30.907 -0.407 18868 5233 1 16 . 1 1 22 22 ARG H H 22 7.311 7.311 8.436 -1.125 18868 5234 1 16 . 1 1 23 23 GLU N N 23 115.984 115.984 116.121 -0.137 18868 5235 1 16 . 1 1 23 23 GLU C C 23 177.129 177.129 176.420 0.709 18868 5236 1 16 . 1 1 23 23 GLU CA C 23 54.300 54.300 55.284 -0.984 18868 5237 1 16 . 1 1 23 23 GLU CB C 23 33.200 33.200 32.555 0.645 18868 5238 1 16 . 1 1 23 23 GLU H H 23 9.488 9.488 8.489 0.999 18868 5239 1 16 . 1 1 24 24 GLY N N 24 114.031 114.031 112.901 1.130 18868 5240 1 16 . 1 1 24 24 GLY C C 24 174.499 174.499 173.873 0.626 18868 5241 1 16 . 1 1 24 24 GLY CA C 24 45.900 45.900 46.414 -0.514 18868 5242 1 16 . 1 1 24 24 GLY H H 24 9.048 9.048 8.552 0.496 18868 5243 1 16 . 1 1 25 25 ASP N N 25 125.634 125.634 120.498 5.136 18868 5244 1 16 . 1 1 25 25 ASP C C 25 177.998 177.998 175.326 2.672 18868 5245 1 16 . 1 1 25 25 ASP CA C 25 55.000 55.000 52.929 2.071 18868 5246 1 16 . 1 1 25 25 ASP H H 25 8.249 8.249 7.916 0.333 18868 5247 1 16 . 1 1 26 26 LYS N N 26 121.469 121.469 117.153 4.316 18868 5248 1 16 . 1 1 26 26 LYS CA C 26 57.600 57.600 55.866 1.734 18868 5249 1 16 . 1 1 26 26 LYS CB C 26 37.800 37.800 32.943 4.857 18868 5250 1 16 . 1 1 26 26 LYS H H 26 9.043 9.043 8.538 0.505 18868 5251 1 16 . 1 1 27 27 HIS N N 27 112.780 112.780 114.718 -1.938 18868 5252 1 16 . 1 1 27 27 HIS C C 27 175.067 175.067 173.902 1.165 18868 5253 1 16 . 1 1 27 27 HIS CA C 27 55.300 55.300 56.618 -1.318 18868 5254 1 16 . 1 1 27 27 HIS CB C 27 30.300 30.300 31.559 -1.259 18868 5255 1 16 . 1 1 27 27 HIS H H 27 8.241 8.241 7.686 0.555 18868 5256 1 16 . 1 1 28 28 THR N N 28 106.447 106.447 110.574 -4.127 18868 5257 1 16 . 1 1 28 28 THR C C 28 174.469 174.469 172.733 1.736 18868 5258 1 16 . 1 1 28 28 THR CA C 28 60.000 60.000 60.602 -0.602 18868 5259 1 16 . 1 1 28 28 THR H H 28 7.248 7.248 7.554 -0.306 18868 5260 1 16 . 1 1 29 29 LEU N N 29 125.037 125.037 122.580 2.457 18868 5261 1 16 . 1 1 29 29 LEU C C 29 180.751 180.751 175.946 4.805 18868 5262 1 16 . 1 1 29 29 LEU CA C 29 55.200 55.200 53.719 1.481 18868 5263 1 16 . 1 1 29 29 LEU CB C 29 41.800 41.800 43.970 -2.170 18868 5264 1 16 . 1 1 29 29 LEU H H 29 9.421 9.421 8.798 0.623 18868 5265 1 16 . 1 1 30 30 SER N N 30 131.373 131.373 119.462 11.911 18868 5266 1 16 . 1 1 30 30 SER C C 30 177.946 177.946 176.144 1.802 18868 5267 1 16 . 1 1 30 30 SER CA C 30 57.900 57.900 57.731 0.169 18868 5268 1 16 . 1 1 30 30 SER H H 30 9.312 9.312 9.629 -0.317 18868 5269 1 16 . 1 1 31 31 LYS N N 31 117.689 117.689 121.759 -4.070 18868 5270 1 16 . 1 1 31 31 LYS CA C 31 57.800 57.800 59.565 -1.765 18868 5271 1 16 . 1 1 31 31 LYS H H 31 9.659 9.659 8.887 0.772 18868 5272 1 16 . 1 1 32 32 LYS C C 32 180.677 180.677 178.529 2.148 18868 5273 1 16 . 1 1 32 32 LYS CA C 32 59.800 59.800 60.035 -0.235 18868 5274 1 16 . 1 1 33 33 GLU N N 33 120.336 120.336 120.076 0.260 18868 5275 1 16 . 1 1 33 33 GLU C C 33 179.654 179.654 179.081 0.573 18868 5276 1 16 . 1 1 33 33 GLU CA C 33 59.300 59.300 59.412 -0.112 18868 5277 1 16 . 1 1 33 33 GLU H H 33 7.608 7.608 7.584 0.024 18868 5278 1 16 . 1 1 34 34 LEU N N 34 117.303 117.303 120.583 -3.280 18868 5279 1 16 . 1 1 34 34 LEU C C 34 179.420 179.420 177.901 1.519 18868 5280 1 16 . 1 1 34 34 LEU CA C 34 58.200 58.200 57.951 0.249 18868 5281 1 16 . 1 1 34 34 LEU H H 34 7.659 7.659 8.673 -1.014 18868 5282 1 16 . 1 1 35 35 LYS N N 35 116.520 116.520 119.103 -2.583 18868 5283 1 16 . 1 1 35 35 LYS CA C 35 60.700 60.700 59.944 0.756 18868 5284 1 16 . 1 1 35 35 LYS CB C 35 32.000 32.000 32.130 -0.130 18868 5285 1 16 . 1 1 35 35 LYS H H 35 7.731 7.731 7.734 -0.003 18868 5286 1 16 . 1 1 36 36 GLU N N 36 118.365 118.365 119.149 -0.784 18868 5287 1 16 . 1 1 36 36 GLU C C 36 177.868 177.868 178.596 -0.728 18868 5288 1 16 . 1 1 36 36 GLU CA C 36 59.700 59.700 59.101 0.599 18868 5289 1 16 . 1 1 36 36 GLU CB C 36 29.300 29.300 29.756 -0.456 18868 5290 1 16 . 1 1 36 36 GLU H H 36 7.871 7.871 7.583 0.288 18868 5291 1 16 . 1 1 37 37 LEU N N 37 121.068 121.068 120.416 0.652 18868 5292 1 16 . 1 1 37 37 LEU C C 37 176.731 176.731 178.632 -1.901 18868 5293 1 16 . 1 1 37 37 LEU CA C 37 59.500 59.500 57.738 1.762 18868 5294 1 16 . 1 1 37 37 LEU CB C 37 42.700 42.700 41.734 0.966 18868 5295 1 16 . 1 1 37 37 LEU H H 37 7.513 7.513 7.611 -0.098 18868 5296 1 16 . 1 1 38 38 ILE N N 38 117.867 117.867 118.294 -0.427 18868 5297 1 16 . 1 1 38 38 ILE C C 38 178.658 178.658 178.477 0.181 18868 5298 1 16 . 1 1 38 38 ILE CA C 38 65.300 65.300 65.298 0.002 18868 5299 1 16 . 1 1 38 38 ILE H H 38 8.206 8.206 7.915 0.291 18868 5300 1 16 . 1 1 39 39 GLN N N 39 114.147 114.147 116.234 -2.087 18868 5301 1 16 . 1 1 39 39 GLN C C 39 180.003 180.003 176.885 3.118 18868 5302 1 16 . 1 1 39 39 GLN CA C 39 59.500 59.500 58.081 1.419 18868 5303 1 16 . 1 1 39 39 GLN H H 39 8.238 8.238 8.214 0.024 18868 5304 1 16 . 1 1 40 40 LYS N N 40 115.051 115.051 118.962 -3.911 18868 5305 1 16 . 1 1 40 40 LYS C C 40 180.483 180.483 177.645 2.838 18868 5306 1 16 . 1 1 40 40 LYS CA C 40 57.500 57.500 57.679 -0.179 18868 5307 1 16 . 1 1 40 40 LYS H H 40 8.298 8.298 7.554 0.744 18868 5308 1 16 . 1 1 41 41 GLU N N 41 112.448 112.448 117.678 -5.230 18868 5309 1 16 . 1 1 41 41 GLU C C 41 178.252 178.252 177.198 1.054 18868 5310 1 16 . 1 1 41 41 GLU CA C 41 55.700 55.700 57.204 -1.504 18868 5311 1 16 . 1 1 41 41 GLU H H 41 8.328 8.328 8.225 0.103 18868 5312 1 16 . 1 1 42 42 LEU N N 42 118.693 118.693 121.554 -2.861 18868 5313 1 16 . 1 1 42 42 LEU C C 42 179.377 179.377 177.158 2.219 18868 5314 1 16 . 1 1 42 42 LEU CA C 42 53.300 53.300 54.212 -0.912 18868 5315 1 16 . 1 1 42 42 LEU H H 42 7.361 7.361 7.377 -0.016 18868 5316 1 16 . 1 1 43 43 THR N N 43 125.535 125.535 121.571 3.964 18868 5317 1 16 . 1 1 43 43 THR C C 43 180.403 180.403 176.356 4.047 18868 5318 1 16 . 1 1 43 43 THR CA C 43 67.300 67.300 66.349 0.952 18868 5319 1 16 . 1 1 43 43 THR H H 43 9.926 9.926 8.693 1.233 18868 5320 1 16 . 1 1 44 44 ILE N N 44 116.467 116.467 121.352 -4.885 18868 5321 1 16 . 1 1 44 44 ILE C C 44 178.107 178.107 177.774 0.333 18868 5322 1 16 . 1 1 44 44 ILE CA C 44 62.400 62.400 61.671 0.729 18868 5323 1 16 . 1 1 44 44 ILE CB C 44 38.300 38.300 37.746 0.554 18868 5324 1 16 . 1 1 44 44 ILE H H 44 8.214 8.214 7.958 0.256 18868 5325 1 16 . 1 1 45 45 GLY N N 45 108.241 108.241 109.651 -1.410 18868 5326 1 16 . 1 1 45 45 GLY C C 45 176.355 176.355 176.322 0.033 18868 5327 1 16 . 1 1 45 45 GLY CA C 45 47.400 47.400 47.306 0.094 18868 5328 1 16 . 1 1 45 45 GLY H H 45 7.750 7.750 8.676 -0.926 18868 5329 1 16 . 1 1 46 46 SER N N 46 113.635 113.635 115.154 -1.519 18868 5330 1 16 . 1 1 46 46 SER C C 46 176.007 176.007 174.831 1.176 18868 5331 1 16 . 1 1 46 46 SER CA C 46 60.100 60.100 60.059 0.041 18868 5332 1 16 . 1 1 46 46 SER H H 46 7.847 7.847 8.102 -0.255 18868 5333 1 16 . 1 1 47 47 LYS N N 47 119.437 119.437 119.520 -0.083 18868 5334 1 16 . 1 1 47 47 LYS C C 47 178.100 178.100 175.943 2.157 18868 5335 1 16 . 1 1 47 47 LYS CA C 47 56.000 56.000 56.084 -0.084 18868 5336 1 16 . 1 1 47 47 LYS CB C 47 33.400 33.400 33.495 -0.095 18868 5337 1 16 . 1 1 47 47 LYS H H 47 7.709 7.709 7.697 0.012 18868 5338 1 16 . 1 1 48 48 LEU N N 48 120.169 120.169 121.169 -1.000 18868 5339 1 16 . 1 1 48 48 LEU C C 48 178.009 178.009 176.621 1.388 18868 5340 1 16 . 1 1 48 48 LEU CA C 48 55.000 55.000 54.171 0.829 18868 5341 1 16 . 1 1 48 48 LEU H H 48 7.139 7.139 7.286 -0.147 18868 5342 1 16 . 1 1 49 49 GLN N N 49 121.739 121.739 118.952 2.787 18868 5343 1 16 . 1 1 49 49 GLN C C 49 179.051 179.051 176.611 2.440 18868 5344 1 16 . 1 1 49 49 GLN CA C 49 55.800 55.800 55.657 0.143 18868 5345 1 16 . 1 1 49 49 GLN H H 49 7.917 7.917 8.245 -0.328 18868 5346 1 16 . 1 1 50 50 ASP N N 50 119.121 119.121 122.875 -3.754 18868 5347 1 16 . 1 1 50 50 ASP C C 50 178.335 178.335 177.683 0.652 18868 5348 1 16 . 1 1 50 50 ASP CA C 50 59.300 59.300 57.933 1.367 18868 5349 1 16 . 1 1 50 50 ASP H H 50 7.597 7.597 8.977 -1.380 18868 5350 1 16 . 1 1 51 51 ALA N N 51 116.624 116.624 121.334 -4.710 18868 5351 1 16 . 1 1 51 51 ALA C C 51 181.587 181.587 179.679 1.908 18868 5352 1 16 . 1 1 51 51 ALA CA C 51 57.700 57.700 55.070 2.630 18868 5353 1 16 . 1 1 51 51 ALA H H 51 7.560 7.560 8.504 -0.944 18868 5354 1 16 . 1 1 52 52 GLU N N 52 118.931 118.931 118.871 0.060 18868 5355 1 16 . 1 1 52 52 GLU C C 52 180.495 180.495 179.160 1.335 18868 5356 1 16 . 1 1 52 52 GLU CA C 52 58.900 58.900 59.190 -0.290 18868 5357 1 16 . 1 1 52 52 GLU H H 52 8.511 8.511 8.401 0.110 18868 5358 1 16 . 1 1 53 53 ILE N N 53 120.400 120.400 120.105 0.295 18868 5359 1 16 . 1 1 53 53 ILE CA C 53 59.000 59.000 65.093 -6.093 18868 5360 1 16 . 1 1 53 53 ILE H H 53 7.905 7.905 8.270 -0.365 18868 5361 1 16 . 1 1 54 54 ALA C C 54 181.477 181.477 179.116 2.361 18868 5362 1 16 . 1 1 54 54 ALA CA C 54 55.600 55.600 55.511 0.089 18868 5363 1 16 . 1 1 55 55 ARG N N 55 118.315 118.315 119.239 -0.924 18868 5364 1 16 . 1 1 55 55 ARG C C 55 179.468 179.468 178.538 0.930 18868 5365 1 16 . 1 1 55 55 ARG CA C 55 59.100 59.100 59.108 -0.008 18868 5366 1 16 . 1 1 55 55 ARG H H 55 7.448 7.448 8.013 -0.565 18868 5367 1 16 . 1 1 56 56 LEU N N 56 120.310 120.310 121.067 -0.757 18868 5368 1 16 . 1 1 56 56 LEU C C 56 179.984 179.984 178.648 1.336 18868 5369 1 16 . 1 1 56 56 LEU CA C 56 58.000 58.000 57.824 0.176 18868 5370 1 16 . 1 1 56 56 LEU H H 56 7.672 7.672 8.077 -0.405 18868 5371 1 16 . 1 1 57 57 MET N N 57 115.780 115.780 117.080 -1.300 18868 5372 1 16 . 1 1 57 57 MET C C 57 179.083 179.083 178.851 0.232 18868 5373 1 16 . 1 1 57 57 MET H H 57 8.354 8.354 8.313 0.041 18868 5374 1 16 . 1 1 58 58 GLU N N 58 117.826 117.826 119.503 -1.677 18868 5375 1 16 . 1 1 58 58 GLU C C 58 179.161 179.161 177.758 1.403 18868 5376 1 16 . 1 1 58 58 GLU CA C 58 59.300 59.300 58.421 0.879 18868 5377 1 16 . 1 1 58 58 GLU CB C 58 31.100 31.100 29.189 1.911 18868 5378 1 16 . 1 1 58 58 GLU H H 58 7.620 7.620 7.876 -0.256 18868 5379 1 16 . 1 1 59 59 ASP N N 59 117.801 117.801 120.294 -2.493 18868 5380 1 16 . 1 1 59 59 ASP CA C 59 57.200 57.200 57.056 0.144 18868 5381 1 16 . 1 1 59 59 ASP H H 59 8.693 8.693 7.820 0.873 18868 5382 1 16 . 1 1 60 60 LEU N N 60 117.370 117.370 117.862 -0.492 18868 5383 1 16 . 1 1 60 60 LEU C C 60 179.216 179.216 177.132 2.084 18868 5384 1 16 . 1 1 60 60 LEU CA C 60 56.200 56.200 56.698 -0.498 18868 5385 1 16 . 1 1 60 60 LEU H H 60 8.159 8.159 8.031 0.128 18868 5386 1 16 . 1 1 61 61 ASP N N 61 117.835 117.835 117.173 0.662 18868 5387 1 16 . 1 1 61 61 ASP C C 61 178.473 178.473 176.400 2.073 18868 5388 1 16 . 1 1 61 61 ASP CA C 61 52.800 52.800 54.454 -1.654 18868 5389 1 16 . 1 1 61 61 ASP CB C 61 39.100 39.100 40.374 -1.274 18868 5390 1 16 . 1 1 61 61 ASP H H 61 7.559 7.559 7.686 -0.127 18868 5391 1 16 . 1 1 62 62 ARG N N 62 125.783 125.783 126.639 -0.856 18868 5392 1 16 . 1 1 62 62 ARG C C 62 178.519 178.519 177.785 0.734 18868 5393 1 16 . 1 1 62 62 ARG CA C 62 58.500 58.500 56.923 1.577 18868 5394 1 16 . 1 1 62 62 ARG CB C 62 30.200 30.200 30.450 -0.250 18868 5395 1 16 . 1 1 62 62 ARG H H 62 7.839 7.839 8.570 -0.731 18868 5396 1 16 . 1 1 63 63 ASN N N 63 112.348 112.348 117.480 -5.132 18868 5397 1 16 . 1 1 63 63 ASN C C 63 175.597 175.597 175.109 0.488 18868 5398 1 16 . 1 1 63 63 ASN CA C 63 51.900 51.900 53.801 -1.901 18868 5399 1 16 . 1 1 63 63 ASN CB C 63 36.700 36.700 39.393 -2.693 18868 5400 1 16 . 1 1 63 63 ASN H H 63 7.899 7.899 8.530 -0.631 18868 5401 1 16 . 1 1 64 64 LYS N N 64 114.407 114.407 118.308 -3.901 18868 5402 1 16 . 1 1 64 64 LYS C C 64 176.731 176.731 175.100 1.631 18868 5403 1 16 . 1 1 64 64 LYS CA C 64 59.500 59.500 57.245 2.255 18868 5404 1 16 . 1 1 64 64 LYS H H 64 7.485 7.485 8.398 -0.913 18868 5405 1 16 . 1 1 65 65 ASP N N 65 117.880 117.880 119.280 -1.400 18868 5406 1 16 . 1 1 65 65 ASP C C 65 177.981 177.981 176.375 1.606 18868 5407 1 16 . 1 1 65 65 ASP CA C 65 52.900 52.900 54.163 -1.263 18868 5408 1 16 . 1 1 65 65 ASP H H 65 8.184 8.184 8.866 -0.682 18868 5409 1 16 . 1 1 66 66 GLN N N 66 114.037 114.037 114.566 -0.529 18868 5410 1 16 . 1 1 66 66 GLN C C 66 175.374 175.374 174.764 0.610 18868 5411 1 16 . 1 1 66 66 GLN CA C 66 57.900 57.900 58.108 -0.208 18868 5412 1 16 . 1 1 66 66 GLN CB C 66 26.200 26.200 26.546 -0.345 18868 5413 1 16 . 1 1 66 66 GLN H H 66 9.917 9.917 9.019 0.898 18868 5414 1 16 . 1 1 67 67 GLU N N 67 117.611 117.611 119.155 -1.544 18868 5415 1 16 . 1 1 67 67 GLU C C 67 176.826 176.826 175.961 0.865 18868 5416 1 16 . 1 1 67 67 GLU CA C 67 54.000 54.000 55.037 -1.037 18868 5417 1 16 . 1 1 67 67 GLU CB C 67 33.100 33.100 30.405 2.695 18868 5418 1 16 . 1 1 67 67 GLU H H 67 7.800 7.800 8.691 -0.891 18868 5419 1 16 . 1 1 68 68 VAL N N 68 126.064 126.064 124.861 1.203 18868 5420 1 16 . 1 1 68 68 VAL C C 68 177.398 177.398 175.894 1.504 18868 5421 1 16 . 1 1 68 68 VAL CA C 68 61.100 61.100 63.362 -2.262 18868 5422 1 16 . 1 1 68 68 VAL CB C 68 33.300 33.300 31.137 2.163 18868 5423 1 16 . 1 1 68 68 VAL H H 68 9.656 9.656 7.914 1.742 18868 5424 1 16 . 1 1 69 69 ASN N N 69 127.002 127.002 125.879 1.123 18868 5425 1 16 . 1 1 69 69 ASN C C 69 175.438 175.438 175.790 -0.352 18868 5426 1 16 . 1 1 69 69 ASN CA C 69 51.200 51.200 51.745 -0.545 18868 5427 1 16 . 1 1 69 69 ASN H H 69 9.036 9.036 9.356 -0.320 18868 5428 1 16 . 1 1 70 70 PHE N N 70 119.437 119.437 119.637 -0.200 18868 5429 1 16 . 1 1 70 70 PHE C C 70 177.652 177.652 177.270 0.382 18868 5430 1 16 . 1 1 70 70 PHE CA C 70 63.300 63.300 62.130 1.170 18868 5431 1 16 . 1 1 70 70 PHE H H 70 9.055 9.055 9.274 -0.219 18868 5432 1 16 . 1 1 71 71 GLN N N 71 117.576 117.576 118.087 -0.511 18868 5433 1 16 . 1 1 71 71 GLN C C 71 180.488 180.488 178.247 2.241 18868 5434 1 16 . 1 1 71 71 GLN CA C 71 60.100 60.100 59.782 0.318 18868 5435 1 16 . 1 1 71 71 GLN CB C 71 27.900 27.900 28.497 -0.597 18868 5436 1 16 . 1 1 71 71 GLN H H 71 8.273 8.273 8.909 -0.636 18868 5437 1 16 . 1 1 72 72 GLU N N 72 119.971 119.971 119.422 0.549 18868 5438 1 16 . 1 1 72 72 GLU C C 72 179.001 179.001 178.932 0.069 18868 5439 1 16 . 1 1 72 72 GLU CA C 72 58.700 58.700 59.138 -0.438 18868 5440 1 16 . 1 1 72 72 GLU H H 72 8.631 8.631 7.723 0.908 18868 5441 1 16 . 1 1 73 73 TYR N N 73 120.475 120.475 121.331 -0.856 18868 5442 1 16 . 1 1 73 73 TYR C C 73 180.040 180.040 177.113 2.927 18868 5443 1 16 . 1 1 73 73 TYR H H 73 7.721 7.721 8.205 -0.484 18868 5444 1 16 . 1 1 74 74 VAL N N 74 119.604 119.604 118.353 1.251 18868 5445 1 16 . 1 1 74 74 VAL C C 74 177.821 177.821 177.751 0.070 18868 5446 1 16 . 1 1 74 74 VAL CA C 74 60.200 60.200 66.411 -6.211 18868 5447 1 16 . 1 1 74 74 VAL CB C 74 33.800 33.800 31.186 2.614 18868 5448 1 16 . 1 1 74 74 VAL H H 74 8.147 8.147 8.159 -0.012 18868 5449 1 16 . 1 1 75 75 THR N N 75 124.638 124.638 116.258 8.380 18868 5450 1 16 . 1 1 75 75 THR C C 75 179.971 179.971 176.351 3.620 18868 5451 1 16 . 1 1 75 75 THR CA C 75 60.600 60.600 66.565 -5.965 18868 5452 1 16 . 1 1 75 75 THR H H 75 7.714 7.714 7.514 0.200 18868 5453 1 16 . 1 1 76 76 PHE N N 76 116.963 116.963 122.892 -5.929 18868 5454 1 16 . 1 1 76 76 PHE C C 76 177.695 177.695 176.374 1.321 18868 5455 1 16 . 1 1 76 76 PHE CA C 76 60.000 60.000 60.378 -0.378 18868 5456 1 16 . 1 1 76 76 PHE H H 76 7.864 7.864 7.234 0.630 18868 5457 1 16 . 1 1 77 77 LEU N N 77 117.568 117.568 118.559 -0.991 18868 5458 1 16 . 1 1 77 77 LEU C C 77 180.668 180.668 178.922 1.746 18868 5459 1 16 . 1 1 77 77 LEU CA C 77 57.800 57.800 57.330 0.471 18868 5460 1 16 . 1 1 77 77 LEU H H 77 7.913 7.913 7.562 0.351 18868 5461 1 16 . 1 1 78 78 GLY N N 78 104.257 104.257 106.628 -2.371 18868 5462 1 16 . 1 1 78 78 GLY C C 78 176.062 176.062 175.338 0.724 18868 5463 1 16 . 1 1 78 78 GLY CA C 78 47.600 47.600 47.075 0.525 18868 5464 1 16 . 1 1 78 78 GLY H H 78 8.057 8.057 8.330 -0.273 18868 5465 1 16 . 1 1 79 79 ALA N N 79 124.122 124.122 124.890 -0.768 18868 5466 1 16 . 1 1 79 79 ALA C C 79 182.313 182.313 179.594 2.719 18868 5467 1 16 . 1 1 79 79 ALA CA C 79 55.100 55.100 54.778 0.322 18868 5468 1 16 . 1 1 79 79 ALA H H 79 7.804 7.804 7.609 0.195 18868 5469 1 16 . 1 1 80 80 LEU N N 80 117.976 117.976 119.081 -1.105 18868 5470 1 16 . 1 1 80 80 LEU C C 80 178.389 178.389 179.087 -0.698 18868 5471 1 16 . 1 1 80 80 LEU CA C 80 57.400 57.400 57.614 -0.214 18868 5472 1 16 . 1 1 80 80 LEU H H 80 8.045 8.045 7.551 0.494 18868 5473 1 16 . 1 1 81 81 ALA N N 81 121.199 121.199 122.007 -0.808 18868 5474 1 16 . 1 1 81 81 ALA C C 81 181.617 181.617 179.721 1.896 18868 5475 1 16 . 1 1 81 81 ALA CA C 81 55.300 55.300 55.108 0.192 18868 5476 1 16 . 1 1 81 81 ALA H H 81 8.152 8.152 7.975 0.177 18868 5477 1 16 . 1 1 82 82 LEU N N 82 117.392 117.392 119.153 -1.761 18868 5478 1 16 . 1 1 82 82 LEU C C 82 180.828 180.828 179.289 1.539 18868 5479 1 16 . 1 1 82 82 LEU CA C 82 58.800 58.800 58.040 0.760 18868 5480 1 16 . 1 1 82 82 LEU H H 82 7.238 7.238 7.859 -0.621 18868 5481 1 16 . 1 1 83 83 ILE N N 83 124.342 124.342 119.537 4.805 18868 5482 1 16 . 1 1 83 83 ILE C C 83 177.495 177.495 178.158 -0.663 18868 5483 1 16 . 1 1 83 83 ILE CA C 83 60.500 60.500 65.545 -5.045 18868 5484 1 16 . 1 1 83 83 ILE H H 83 8.726 8.726 7.967 0.759 18868 5485 1 16 . 1 1 84 84 TYR N N 84 120.026 120.026 118.571 1.455 18868 5486 1 16 . 1 1 84 84 TYR C C 84 177.236 177.236 178.246 -1.010 18868 5487 1 16 . 1 1 84 84 TYR CA C 84 56.900 56.900 62.067 -5.167 18868 5488 1 16 . 1 1 84 84 TYR H H 84 8.241 8.241 8.350 -0.109 18868 5489 1 16 . 1 1 85 85 ASN N N 85 117.125 117.125 116.471 0.654 18868 5490 1 16 . 1 1 85 85 ASN C C 85 175.508 175.508 177.920 -2.412 18868 5491 1 16 . 1 1 85 85 ASN CA C 85 56.600 56.600 55.373 1.227 18868 5492 1 16 . 1 1 85 85 ASN H H 85 7.681 7.681 7.933 -0.252 18868 5493 1 16 . 1 1 86 86 GLU N N 86 119.756 119.756 119.911 -0.155 18868 5494 1 16 . 1 1 86 86 GLU C C 86 177.821 177.821 178.497 -0.676 18868 5495 1 16 . 1 1 86 86 GLU H H 86 8.790 8.790 8.263 0.527 18868 5496 1 16 . 1 1 87 87 ALA N N 87 112.780 112.780 121.256 -8.476 18868 5497 1 16 . 1 1 87 87 ALA H H 87 8.241 8.241 7.549 0.692 18868 5498 1 16 . 1 1 88 88 LEU N N 88 118.627 118.627 116.313 2.314 18868 5499 1 16 . 1 1 88 88 LEU CA C 88 57.900 57.900 55.652 2.248 18868 5500 1 16 . 1 1 88 88 LEU H H 88 8.384 8.384 7.225 1.159 18868 5501 1 16 . 1 1 89 89 LYS N N 89 118.552 118.552 118.897 -0.345 18868 5502 1 16 . 1 1 89 89 LYS C C 89 177.332 177.332 177.037 0.295 18868 5503 1 16 . 1 1 89 89 LYS CA C 89 56.900 56.900 56.357 0.543 18868 5504 1 16 . 1 1 89 89 LYS H H 89 7.854 7.854 7.529 0.325 18868 5505 1 17 . 1 1 3 3 SER N N 3 118.627 118.627 118.490 0.137 18868 5506 1 17 . 1 1 3 3 SER H H 3 8.384 8.384 8.613 -0.229 18868 5507 1 17 . 1 1 4 4 PRO C C 4 180.814 180.814 178.740 2.074 18868 5508 1 17 . 1 1 4 4 PRO CA C 4 66.500 66.500 65.834 0.666 18868 5509 1 17 . 1 1 5 5 LEU N N 5 119.501 119.501 118.252 1.249 18868 5510 1 17 . 1 1 5 5 LEU C C 5 179.272 179.272 178.492 0.780 18868 5511 1 17 . 1 1 5 5 LEU CA C 5 58.600 58.600 58.169 0.431 18868 5512 1 17 . 1 1 5 5 LEU H H 5 9.386 9.386 8.122 1.264 18868 5513 1 17 . 1 1 6 6 ASP N N 6 119.191 119.191 118.331 0.860 18868 5514 1 17 . 1 1 6 6 ASP C C 6 182.313 182.313 179.030 3.283 18868 5515 1 17 . 1 1 6 6 ASP CA C 6 58.000 58.000 57.796 0.204 18868 5516 1 17 . 1 1 6 6 ASP H H 6 7.912 7.912 7.944 -0.032 18868 5517 1 17 . 1 1 7 7 GLN N N 7 117.979 117.979 118.759 -0.780 18868 5518 1 17 . 1 1 7 7 GLN C C 7 179.998 179.998 178.488 1.510 18868 5519 1 17 . 1 1 7 7 GLN CA C 7 58.900 58.900 58.614 0.286 18868 5520 1 17 . 1 1 7 7 GLN H H 7 8.065 8.065 8.333 -0.268 18868 5521 1 17 . 1 1 8 8 ALA N N 8 124.008 124.008 123.372 0.636 18868 5522 1 17 . 1 1 8 8 ALA CA C 8 55.500 55.500 55.234 0.266 18868 5523 1 17 . 1 1 8 8 ALA H H 8 8.159 8.159 8.175 -0.016 18868 5524 1 17 . 1 1 9 9 ILE C C 9 179.258 179.258 178.436 0.822 18868 5525 1 17 . 1 1 9 9 ILE CA C 9 64.900 64.900 62.851 2.049 18868 5526 1 17 . 1 1 10 10 GLY N N 10 105.447 105.447 108.389 -2.942 18868 5527 1 17 . 1 1 10 10 GLY C C 10 177.984 177.984 176.320 1.664 18868 5528 1 17 . 1 1 10 10 GLY CA C 10 47.300 47.300 47.208 0.092 18868 5529 1 17 . 1 1 10 10 GLY H H 10 8.062 8.062 8.523 -0.461 18868 5530 1 17 . 1 1 11 11 LEU N N 11 124.755 124.755 123.114 1.641 18868 5531 1 17 . 1 1 11 11 LEU C C 11 178.346 178.346 178.841 -0.495 18868 5532 1 17 . 1 1 11 11 LEU CA C 11 58.000 58.000 57.737 0.263 18868 5533 1 17 . 1 1 11 11 LEU H H 11 8.067 8.067 8.077 -0.010 18868 5534 1 17 . 1 1 12 12 LEU N N 12 121.609 121.609 118.906 2.703 18868 5535 1 17 . 1 1 12 12 LEU C C 12 182.560 182.560 179.666 2.894 18868 5536 1 17 . 1 1 12 12 LEU CA C 12 59.000 59.000 58.191 0.809 18868 5537 1 17 . 1 1 12 12 LEU H H 12 7.997 7.997 7.831 0.166 18868 5538 1 17 . 1 1 13 13 VAL N N 13 119.951 119.951 119.021 0.930 18868 5539 1 17 . 1 1 13 13 VAL C C 13 178.016 178.016 178.341 -0.325 18868 5540 1 17 . 1 1 13 13 VAL CA C 13 67.100 67.100 66.284 0.816 18868 5541 1 17 . 1 1 13 13 VAL H H 13 8.087 8.087 8.165 -0.078 18868 5542 1 17 . 1 1 14 14 ALA N N 14 122.867 122.867 123.091 -0.224 18868 5543 1 17 . 1 1 14 14 ALA C C 14 175.380 175.380 180.006 -4.626 18868 5544 1 17 . 1 1 14 14 ALA CA C 14 55.600 55.600 55.299 0.301 18868 5545 1 17 . 1 1 14 14 ALA H H 14 8.363 8.363 8.349 0.014 18868 5546 1 17 . 1 1 15 15 ILE N N 15 118.496 118.496 119.092 -0.596 18868 5547 1 17 . 1 1 15 15 ILE C C 15 178.058 178.058 177.969 0.089 18868 5548 1 17 . 1 1 15 15 ILE CA C 15 64.800 64.800 65.286 -0.486 18868 5549 1 17 . 1 1 15 15 ILE H H 15 8.787 8.787 8.188 0.599 18868 5550 1 17 . 1 1 16 16 PHE N N 16 119.259 119.259 120.459 -1.200 18868 5551 1 17 . 1 1 16 16 PHE H H 16 7.171 7.171 8.173 -1.002 18868 5552 1 17 . 1 1 17 17 HIS C C 17 178.660 178.660 177.856 0.804 18868 5553 1 17 . 1 1 17 17 HIS CA C 17 54.800 54.800 58.513 -3.713 18868 5554 1 17 . 1 1 17 17 HIS CB C 17 30.000 30.000 29.572 0.428 18868 5555 1 17 . 1 1 18 18 LYS N N 18 122.924 122.924 120.521 2.403 18868 5556 1 17 . 1 1 18 18 LYS C C 18 180.221 180.221 177.046 3.175 18868 5557 1 17 . 1 1 18 18 LYS CA C 18 58.800 58.800 58.532 0.267 18868 5558 1 17 . 1 1 18 18 LYS CB C 18 40.200 40.200 32.607 7.593 18868 5559 1 17 . 1 1 18 18 LYS H H 18 8.880 8.880 7.765 1.115 18868 5560 1 17 . 1 1 19 19 TYR N N 19 120.227 120.227 115.380 4.847 18868 5561 1 17 . 1 1 19 19 TYR C C 19 178.435 178.435 175.287 3.148 18868 5562 1 17 . 1 1 19 19 TYR CA C 19 55.300 55.300 58.670 -3.370 18868 5563 1 17 . 1 1 19 19 TYR H H 19 8.879 8.879 7.493 1.386 18868 5564 1 17 . 1 1 20 20 SER N N 20 119.760 119.760 114.449 5.311 18868 5565 1 17 . 1 1 20 20 SER C C 20 178.376 178.376 175.260 3.116 18868 5566 1 17 . 1 1 20 20 SER CA C 20 56.900 56.900 59.020 -2.120 18868 5567 1 17 . 1 1 20 20 SER CB C 20 61.700 61.700 61.826 -0.126 18868 5568 1 17 . 1 1 20 20 SER H H 20 7.557 7.557 7.569 -0.012 18868 5569 1 17 . 1 1 21 21 GLY N N 21 111.202 111.202 114.227 -3.025 18868 5570 1 17 . 1 1 21 21 GLY C C 21 174.862 174.862 174.429 0.433 18868 5571 1 17 . 1 1 21 21 GLY CA C 21 45.600 45.600 44.901 0.699 18868 5572 1 17 . 1 1 21 21 GLY H H 21 7.696 7.696 8.724 -1.028 18868 5573 1 17 . 1 1 22 22 ARG N N 22 122.200 122.200 119.262 2.938 18868 5574 1 17 . 1 1 22 22 ARG C C 22 178.336 178.336 176.215 2.121 18868 5575 1 17 . 1 1 22 22 ARG CA C 22 59.500 59.500 57.518 1.982 18868 5576 1 17 . 1 1 22 22 ARG CB C 22 30.500 30.500 31.299 -0.799 18868 5577 1 17 . 1 1 22 22 ARG H H 22 7.311 7.311 8.824 -1.513 18868 5578 1 17 . 1 1 23 23 GLU N N 23 115.984 115.984 118.781 -2.797 18868 5579 1 17 . 1 1 23 23 GLU C C 23 177.129 177.129 176.523 0.606 18868 5580 1 17 . 1 1 23 23 GLU CA C 23 54.300 54.300 55.400 -1.100 18868 5581 1 17 . 1 1 23 23 GLU CB C 23 33.200 33.200 31.415 1.786 18868 5582 1 17 . 1 1 23 23 GLU H H 23 9.488 9.488 8.202 1.286 18868 5583 1 17 . 1 1 24 24 GLY N N 24 114.031 114.031 114.563 -0.532 18868 5584 1 17 . 1 1 24 24 GLY C C 24 174.499 174.499 174.232 0.267 18868 5585 1 17 . 1 1 24 24 GLY CA C 24 45.900 45.900 46.263 -0.363 18868 5586 1 17 . 1 1 24 24 GLY H H 24 9.048 9.048 8.707 0.341 18868 5587 1 17 . 1 1 25 25 ASP N N 25 125.634 125.634 121.441 4.193 18868 5588 1 17 . 1 1 25 25 ASP C C 25 177.998 177.998 175.389 2.609 18868 5589 1 17 . 1 1 25 25 ASP CA C 25 55.000 55.000 52.967 2.033 18868 5590 1 17 . 1 1 25 25 ASP H H 25 8.249 8.249 8.107 0.142 18868 5591 1 17 . 1 1 26 26 LYS N N 26 121.469 121.469 116.983 4.486 18868 5592 1 17 . 1 1 26 26 LYS CA C 26 57.600 57.600 55.981 1.619 18868 5593 1 17 . 1 1 26 26 LYS CB C 26 37.800 37.800 33.068 4.732 18868 5594 1 17 . 1 1 26 26 LYS H H 26 9.043 9.043 8.569 0.474 18868 5595 1 17 . 1 1 27 27 HIS N N 27 112.780 112.780 114.839 -2.059 18868 5596 1 17 . 1 1 27 27 HIS C C 27 175.067 175.067 173.747 1.320 18868 5597 1 17 . 1 1 27 27 HIS CA C 27 55.300 55.300 56.370 -1.070 18868 5598 1 17 . 1 1 27 27 HIS CB C 27 30.300 30.300 31.405 -1.105 18868 5599 1 17 . 1 1 27 27 HIS H H 27 8.241 8.241 7.646 0.595 18868 5600 1 17 . 1 1 28 28 THR N N 28 106.447 106.447 110.131 -3.684 18868 5601 1 17 . 1 1 28 28 THR C C 28 174.469 174.469 172.657 1.812 18868 5602 1 17 . 1 1 28 28 THR CA C 28 60.000 60.000 60.532 -0.532 18868 5603 1 17 . 1 1 28 28 THR H H 28 7.248 7.248 7.499 -0.251 18868 5604 1 17 . 1 1 29 29 LEU N N 29 125.037 125.037 123.352 1.685 18868 5605 1 17 . 1 1 29 29 LEU C C 29 180.751 180.751 176.402 4.349 18868 5606 1 17 . 1 1 29 29 LEU CA C 29 55.200 55.200 53.571 1.629 18868 5607 1 17 . 1 1 29 29 LEU CB C 29 41.800 41.800 44.095 -2.295 18868 5608 1 17 . 1 1 29 29 LEU H H 29 9.421 9.421 9.032 0.389 18868 5609 1 17 . 1 1 30 30 SER N N 30 131.373 131.373 120.041 11.332 18868 5610 1 17 . 1 1 30 30 SER C C 30 177.946 177.946 175.960 1.986 18868 5611 1 17 . 1 1 30 30 SER CA C 30 57.900 57.900 57.624 0.276 18868 5612 1 17 . 1 1 30 30 SER H H 30 9.312 9.312 9.651 -0.339 18868 5613 1 17 . 1 1 31 31 LYS N N 31 117.689 117.689 118.163 -0.474 18868 5614 1 17 . 1 1 31 31 LYS CA C 31 57.800 57.800 57.528 0.272 18868 5615 1 17 . 1 1 31 31 LYS H H 31 9.659 9.659 8.746 0.913 18868 5616 1 17 . 1 1 32 32 LYS C C 32 180.677 180.677 178.206 2.471 18868 5617 1 17 . 1 1 32 32 LYS CA C 32 59.800 59.800 58.555 1.245 18868 5618 1 17 . 1 1 33 33 GLU N N 33 120.336 120.336 121.078 -0.742 18868 5619 1 17 . 1 1 33 33 GLU C C 33 179.654 179.654 179.007 0.647 18868 5620 1 17 . 1 1 33 33 GLU CA C 33 59.300 59.300 59.464 -0.164 18868 5621 1 17 . 1 1 33 33 GLU H H 33 7.608 7.608 7.669 -0.061 18868 5622 1 17 . 1 1 34 34 LEU N N 34 117.303 117.303 120.624 -3.321 18868 5623 1 17 . 1 1 34 34 LEU C C 34 179.420 179.420 178.110 1.310 18868 5624 1 17 . 1 1 34 34 LEU CA C 34 58.200 58.200 58.183 0.017 18868 5625 1 17 . 1 1 34 34 LEU H H 34 7.659 7.659 8.090 -0.431 18868 5626 1 17 . 1 1 35 35 LYS N N 35 116.520 116.520 119.124 -2.604 18868 5627 1 17 . 1 1 35 35 LYS CA C 35 60.700 60.700 59.910 0.790 18868 5628 1 17 . 1 1 35 35 LYS CB C 35 32.000 32.000 31.756 0.244 18868 5629 1 17 . 1 1 35 35 LYS H H 35 7.731 7.731 8.208 -0.477 18868 5630 1 17 . 1 1 36 36 GLU N N 36 118.365 118.365 119.740 -1.375 18868 5631 1 17 . 1 1 36 36 GLU C C 36 177.868 177.868 178.626 -0.758 18868 5632 1 17 . 1 1 36 36 GLU CA C 36 59.700 59.700 58.850 0.850 18868 5633 1 17 . 1 1 36 36 GLU CB C 36 29.300 29.300 29.788 -0.488 18868 5634 1 17 . 1 1 36 36 GLU H H 36 7.871 7.871 7.497 0.374 18868 5635 1 17 . 1 1 37 37 LEU N N 37 121.068 121.068 120.958 0.110 18868 5636 1 17 . 1 1 37 37 LEU C C 37 176.731 176.731 178.487 -1.756 18868 5637 1 17 . 1 1 37 37 LEU CA C 37 59.500 59.500 57.828 1.673 18868 5638 1 17 . 1 1 37 37 LEU CB C 37 42.700 42.700 41.617 1.083 18868 5639 1 17 . 1 1 37 37 LEU H H 37 7.513 7.513 7.770 -0.257 18868 5640 1 17 . 1 1 38 38 ILE N N 38 117.867 117.867 117.794 0.073 18868 5641 1 17 . 1 1 38 38 ILE C C 38 178.658 178.658 178.503 0.155 18868 5642 1 17 . 1 1 38 38 ILE CA C 38 65.300 65.300 65.171 0.129 18868 5643 1 17 . 1 1 38 38 ILE H H 38 8.206 8.206 8.044 0.162 18868 5644 1 17 . 1 1 39 39 GLN N N 39 114.147 114.147 117.888 -3.741 18868 5645 1 17 . 1 1 39 39 GLN C C 39 180.003 180.003 177.761 2.242 18868 5646 1 17 . 1 1 39 39 GLN CA C 39 59.500 59.500 59.036 0.464 18868 5647 1 17 . 1 1 39 39 GLN H H 39 8.238 8.238 7.769 0.469 18868 5648 1 17 . 1 1 40 40 LYS N N 40 115.051 115.051 118.831 -3.780 18868 5649 1 17 . 1 1 40 40 LYS C C 40 180.483 180.483 178.090 2.393 18868 5650 1 17 . 1 1 40 40 LYS CA C 40 57.500 57.500 58.161 -0.661 18868 5651 1 17 . 1 1 40 40 LYS H H 40 8.298 8.298 7.654 0.644 18868 5652 1 17 . 1 1 41 41 GLU N N 41 112.448 112.448 117.099 -4.651 18868 5653 1 17 . 1 1 41 41 GLU C C 41 178.252 178.252 176.961 1.291 18868 5654 1 17 . 1 1 41 41 GLU CA C 41 55.700 55.700 56.559 -0.859 18868 5655 1 17 . 1 1 41 41 GLU H H 41 8.328 8.328 8.329 -0.001 18868 5656 1 17 . 1 1 42 42 LEU N N 42 118.693 118.693 121.651 -2.958 18868 5657 1 17 . 1 1 42 42 LEU C C 42 179.377 179.377 176.999 2.378 18868 5658 1 17 . 1 1 42 42 LEU CA C 42 53.300 53.300 53.957 -0.657 18868 5659 1 17 . 1 1 42 42 LEU H H 42 7.361 7.361 7.374 -0.013 18868 5660 1 17 . 1 1 43 43 THR N N 43 125.535 125.535 121.518 4.017 18868 5661 1 17 . 1 1 43 43 THR C C 43 180.403 180.403 176.273 4.130 18868 5662 1 17 . 1 1 43 43 THR CA C 43 67.300 67.300 66.413 0.887 18868 5663 1 17 . 1 1 43 43 THR H H 43 9.926 9.926 8.760 1.166 18868 5664 1 17 . 1 1 44 44 ILE N N 44 116.467 116.467 119.925 -3.458 18868 5665 1 17 . 1 1 44 44 ILE C C 44 178.107 178.107 177.304 0.803 18868 5666 1 17 . 1 1 44 44 ILE CA C 44 62.400 62.400 60.833 1.567 18868 5667 1 17 . 1 1 44 44 ILE CB C 44 38.300 38.300 37.763 0.537 18868 5668 1 17 . 1 1 44 44 ILE H H 44 8.214 8.214 8.062 0.152 18868 5669 1 17 . 1 1 45 45 GLY N N 45 108.241 108.241 109.078 -0.837 18868 5670 1 17 . 1 1 45 45 GLY C C 45 176.355 176.355 176.107 0.248 18868 5671 1 17 . 1 1 45 45 GLY CA C 45 47.400 47.400 47.415 -0.015 18868 5672 1 17 . 1 1 45 45 GLY H H 45 7.750 7.750 7.507 0.243 18868 5673 1 17 . 1 1 46 46 SER N N 46 113.635 113.635 114.646 -1.011 18868 5674 1 17 . 1 1 46 46 SER C C 46 176.007 176.007 174.762 1.245 18868 5675 1 17 . 1 1 46 46 SER CA C 46 60.100 60.100 59.789 0.311 18868 5676 1 17 . 1 1 46 46 SER H H 46 7.847 7.847 8.014 -0.167 18868 5677 1 17 . 1 1 47 47 LYS N N 47 119.437 119.437 119.749 -0.312 18868 5678 1 17 . 1 1 47 47 LYS C C 47 178.100 178.100 175.846 2.254 18868 5679 1 17 . 1 1 47 47 LYS CA C 47 56.000 56.000 56.053 -0.053 18868 5680 1 17 . 1 1 47 47 LYS CB C 47 33.400 33.400 33.585 -0.185 18868 5681 1 17 . 1 1 47 47 LYS H H 47 7.709 7.709 7.731 -0.022 18868 5682 1 17 . 1 1 48 48 LEU N N 48 120.169 120.169 121.718 -1.549 18868 5683 1 17 . 1 1 48 48 LEU C C 48 178.009 178.009 176.390 1.619 18868 5684 1 17 . 1 1 48 48 LEU CA C 48 55.000 55.000 54.267 0.733 18868 5685 1 17 . 1 1 48 48 LEU H H 48 7.139 7.139 7.356 -0.217 18868 5686 1 17 . 1 1 49 49 GLN N N 49 121.739 121.739 119.141 2.598 18868 5687 1 17 . 1 1 49 49 GLN C C 49 179.051 179.051 176.814 2.237 18868 5688 1 17 . 1 1 49 49 GLN CA C 49 55.800 55.800 54.878 0.922 18868 5689 1 17 . 1 1 49 49 GLN H H 49 7.917 7.917 8.261 -0.344 18868 5690 1 17 . 1 1 50 50 ASP N N 50 119.121 119.121 122.963 -3.842 18868 5691 1 17 . 1 1 50 50 ASP C C 50 178.335 178.335 177.691 0.644 18868 5692 1 17 . 1 1 50 50 ASP CA C 50 59.300 59.300 57.954 1.346 18868 5693 1 17 . 1 1 50 50 ASP H H 50 7.597 7.597 8.944 -1.347 18868 5694 1 17 . 1 1 51 51 ALA N N 51 116.624 116.624 121.985 -5.361 18868 5695 1 17 . 1 1 51 51 ALA C C 51 181.587 181.587 179.706 1.881 18868 5696 1 17 . 1 1 51 51 ALA CA C 51 57.700 57.700 55.256 2.444 18868 5697 1 17 . 1 1 51 51 ALA H H 51 7.560 7.560 8.518 -0.958 18868 5698 1 17 . 1 1 52 52 GLU N N 52 118.931 118.931 118.613 0.318 18868 5699 1 17 . 1 1 52 52 GLU C C 52 180.495 180.495 179.117 1.378 18868 5700 1 17 . 1 1 52 52 GLU CA C 52 58.900 58.900 58.976 -0.076 18868 5701 1 17 . 1 1 52 52 GLU H H 52 8.511 8.511 8.422 0.089 18868 5702 1 17 . 1 1 53 53 ILE N N 53 120.400 120.400 120.520 -0.120 18868 5703 1 17 . 1 1 53 53 ILE CA C 53 59.000 59.000 65.139 -6.139 18868 5704 1 17 . 1 1 53 53 ILE H H 53 7.905 7.905 8.263 -0.358 18868 5705 1 17 . 1 1 54 54 ALA C C 54 181.477 181.477 179.133 2.344 18868 5706 1 17 . 1 1 54 54 ALA CA C 54 55.600 55.600 55.336 0.265 18868 5707 1 17 . 1 1 55 55 ARG N N 55 118.315 118.315 119.285 -0.970 18868 5708 1 17 . 1 1 55 55 ARG C C 55 179.468 179.468 178.538 0.930 18868 5709 1 17 . 1 1 55 55 ARG CA C 55 59.100 59.100 59.099 0.000 18868 5710 1 17 . 1 1 55 55 ARG H H 55 7.448 7.448 7.943 -0.495 18868 5711 1 17 . 1 1 56 56 LEU N N 56 120.310 120.310 120.923 -0.613 18868 5712 1 17 . 1 1 56 56 LEU C C 56 179.984 179.984 178.701 1.283 18868 5713 1 17 . 1 1 56 56 LEU CA C 56 58.000 58.000 57.836 0.164 18868 5714 1 17 . 1 1 56 56 LEU H H 56 7.672 7.672 8.143 -0.471 18868 5715 1 17 . 1 1 57 57 MET N N 57 115.780 115.780 116.680 -0.900 18868 5716 1 17 . 1 1 57 57 MET C C 57 179.083 179.083 178.893 0.190 18868 5717 1 17 . 1 1 57 57 MET H H 57 8.354 8.354 8.276 0.078 18868 5718 1 17 . 1 1 58 58 GLU N N 58 117.826 117.826 119.974 -2.148 18868 5719 1 17 . 1 1 58 58 GLU C C 58 179.161 179.161 177.476 1.685 18868 5720 1 17 . 1 1 58 58 GLU CA C 58 59.300 59.300 57.917 1.383 18868 5721 1 17 . 1 1 58 58 GLU CB C 58 31.100 31.100 29.136 1.964 18868 5722 1 17 . 1 1 58 58 GLU H H 58 7.620 7.620 7.901 -0.281 18868 5723 1 17 . 1 1 59 59 ASP N N 59 117.801 117.801 120.021 -2.220 18868 5724 1 17 . 1 1 59 59 ASP CA C 59 57.200 57.200 57.065 0.135 18868 5725 1 17 . 1 1 59 59 ASP H H 59 8.693 8.693 7.896 0.797 18868 5726 1 17 . 1 1 60 60 LEU N N 60 117.370 117.370 117.943 -0.573 18868 5727 1 17 . 1 1 60 60 LEU C C 60 179.216 179.216 177.188 2.028 18868 5728 1 17 . 1 1 60 60 LEU CA C 60 56.200 56.200 56.235 -0.035 18868 5729 1 17 . 1 1 60 60 LEU H H 60 8.159 8.159 7.427 0.732 18868 5730 1 17 . 1 1 61 61 ASP N N 61 117.835 117.835 118.626 -0.791 18868 5731 1 17 . 1 1 61 61 ASP C C 61 178.473 178.473 176.636 1.837 18868 5732 1 17 . 1 1 61 61 ASP CA C 61 52.800 52.800 55.498 -2.699 18868 5733 1 17 . 1 1 61 61 ASP CB C 61 39.100 39.100 40.194 -1.094 18868 5734 1 17 . 1 1 61 61 ASP H H 61 7.559 7.559 8.019 -0.460 18868 5735 1 17 . 1 1 62 62 ARG N N 62 125.783 125.783 125.269 0.514 18868 5736 1 17 . 1 1 62 62 ARG C C 62 178.519 178.519 177.091 1.428 18868 5737 1 17 . 1 1 62 62 ARG CA C 62 58.500 58.500 57.982 0.518 18868 5738 1 17 . 1 1 62 62 ARG CB C 62 30.200 30.200 30.220 -0.020 18868 5739 1 17 . 1 1 62 62 ARG H H 62 7.839 7.839 8.175 -0.336 18868 5740 1 17 . 1 1 63 63 ASN N N 63 112.348 112.348 116.122 -3.774 18868 5741 1 17 . 1 1 63 63 ASN C C 63 175.597 175.597 174.647 0.950 18868 5742 1 17 . 1 1 63 63 ASN CA C 63 51.900 51.900 52.944 -1.044 18868 5743 1 17 . 1 1 63 63 ASN CB C 63 36.700 36.700 38.683 -1.983 18868 5744 1 17 . 1 1 63 63 ASN H H 63 7.899 7.899 8.052 -0.153 18868 5745 1 17 . 1 1 64 64 LYS N N 64 114.407 114.407 119.420 -5.013 18868 5746 1 17 . 1 1 64 64 LYS C C 64 176.731 176.731 175.260 1.471 18868 5747 1 17 . 1 1 64 64 LYS CA C 64 59.500 59.500 57.146 2.354 18868 5748 1 17 . 1 1 64 64 LYS H H 64 7.485 7.485 8.150 -0.665 18868 5749 1 17 . 1 1 65 65 ASP N N 65 117.880 117.880 120.414 -2.534 18868 5750 1 17 . 1 1 65 65 ASP C C 65 177.981 177.981 176.368 1.613 18868 5751 1 17 . 1 1 65 65 ASP CA C 65 52.900 52.900 54.210 -1.310 18868 5752 1 17 . 1 1 65 65 ASP H H 65 8.184 8.184 9.102 -0.918 18868 5753 1 17 . 1 1 66 66 GLN N N 66 114.037 114.037 114.340 -0.303 18868 5754 1 17 . 1 1 66 66 GLN C C 66 175.374 175.374 174.636 0.738 18868 5755 1 17 . 1 1 66 66 GLN CA C 66 57.900 57.900 57.881 0.019 18868 5756 1 17 . 1 1 66 66 GLN CB C 66 26.200 26.200 26.288 -0.088 18868 5757 1 17 . 1 1 66 66 GLN H H 66 9.917 9.917 8.942 0.975 18868 5758 1 17 . 1 1 67 67 GLU N N 67 117.611 117.611 118.171 -0.560 18868 5759 1 17 . 1 1 67 67 GLU C C 67 176.826 176.826 175.643 1.183 18868 5760 1 17 . 1 1 67 67 GLU CA C 67 54.000 54.000 54.382 -0.382 18868 5761 1 17 . 1 1 67 67 GLU CB C 67 33.100 33.100 30.441 2.659 18868 5762 1 17 . 1 1 67 67 GLU H H 67 7.800 7.800 8.666 -0.866 18868 5763 1 17 . 1 1 68 68 VAL N N 68 126.064 126.064 125.568 0.496 18868 5764 1 17 . 1 1 68 68 VAL C C 68 177.398 177.398 175.975 1.423 18868 5765 1 17 . 1 1 68 68 VAL CA C 68 61.100 61.100 62.811 -1.711 18868 5766 1 17 . 1 1 68 68 VAL CB C 68 33.300 33.300 30.271 3.029 18868 5767 1 17 . 1 1 68 68 VAL H H 68 9.656 9.656 7.997 1.659 18868 5768 1 17 . 1 1 69 69 ASN N N 69 127.002 127.002 126.891 0.111 18868 5769 1 17 . 1 1 69 69 ASN C C 69 175.438 175.438 175.746 -0.308 18868 5770 1 17 . 1 1 69 69 ASN CA C 69 51.200 51.200 51.851 -0.651 18868 5771 1 17 . 1 1 69 69 ASN H H 69 9.036 9.036 9.485 -0.449 18868 5772 1 17 . 1 1 70 70 PHE N N 70 119.437 119.437 119.139 0.298 18868 5773 1 17 . 1 1 70 70 PHE C C 70 177.652 177.652 177.338 0.314 18868 5774 1 17 . 1 1 70 70 PHE CA C 70 63.300 63.300 62.067 1.233 18868 5775 1 17 . 1 1 70 70 PHE H H 70 9.055 9.055 9.040 0.015 18868 5776 1 17 . 1 1 71 71 GLN N N 71 117.576 117.576 117.210 0.366 18868 5777 1 17 . 1 1 71 71 GLN C C 71 180.488 180.488 178.335 2.153 18868 5778 1 17 . 1 1 71 71 GLN CA C 71 60.100 60.100 59.177 0.923 18868 5779 1 17 . 1 1 71 71 GLN CB C 71 27.900 27.900 28.586 -0.686 18868 5780 1 17 . 1 1 71 71 GLN H H 71 8.273 8.273 8.456 -0.183 18868 5781 1 17 . 1 1 72 72 GLU N N 72 119.971 119.971 119.490 0.481 18868 5782 1 17 . 1 1 72 72 GLU C C 72 179.001 179.001 178.852 0.149 18868 5783 1 17 . 1 1 72 72 GLU CA C 72 58.700 58.700 59.353 -0.653 18868 5784 1 17 . 1 1 72 72 GLU H H 72 8.631 8.631 7.672 0.959 18868 5785 1 17 . 1 1 73 73 TYR N N 73 120.475 120.475 121.390 -0.915 18868 5786 1 17 . 1 1 73 73 TYR C C 73 180.040 180.040 177.192 2.848 18868 5787 1 17 . 1 1 73 73 TYR H H 73 7.721 7.721 8.238 -0.517 18868 5788 1 17 . 1 1 74 74 VAL N N 74 119.604 119.604 118.180 1.424 18868 5789 1 17 . 1 1 74 74 VAL C C 74 177.821 177.821 177.887 -0.066 18868 5790 1 17 . 1 1 74 74 VAL CA C 74 60.200 60.200 66.686 -6.487 18868 5791 1 17 . 1 1 74 74 VAL CB C 74 33.800 33.800 30.645 3.155 18868 5792 1 17 . 1 1 74 74 VAL H H 74 8.147 8.147 8.001 0.146 18868 5793 1 17 . 1 1 75 75 THR N N 75 124.638 124.638 117.193 7.445 18868 5794 1 17 . 1 1 75 75 THR C C 75 179.971 179.971 176.285 3.686 18868 5795 1 17 . 1 1 75 75 THR CA C 75 60.600 60.600 66.924 -6.324 18868 5796 1 17 . 1 1 75 75 THR H H 75 7.714 7.714 7.500 0.214 18868 5797 1 17 . 1 1 76 76 PHE N N 76 116.963 116.963 122.781 -5.818 18868 5798 1 17 . 1 1 76 76 PHE C C 76 177.695 177.695 176.340 1.355 18868 5799 1 17 . 1 1 76 76 PHE CA C 76 60.000 60.000 60.726 -0.726 18868 5800 1 17 . 1 1 76 76 PHE H H 76 7.864 7.864 7.435 0.429 18868 5801 1 17 . 1 1 77 77 LEU N N 77 117.568 117.568 118.874 -1.306 18868 5802 1 17 . 1 1 77 77 LEU C C 77 180.668 180.668 178.712 1.956 18868 5803 1 17 . 1 1 77 77 LEU CA C 77 57.800 57.800 57.191 0.609 18868 5804 1 17 . 1 1 77 77 LEU H H 77 7.913 7.913 7.698 0.215 18868 5805 1 17 . 1 1 78 78 GLY N N 78 104.257 104.257 106.286 -2.029 18868 5806 1 17 . 1 1 78 78 GLY C C 78 176.062 176.062 175.325 0.737 18868 5807 1 17 . 1 1 78 78 GLY CA C 78 47.600 47.600 47.036 0.564 18868 5808 1 17 . 1 1 78 78 GLY H H 78 8.057 8.057 8.484 -0.427 18868 5809 1 17 . 1 1 79 79 ALA N N 79 124.122 124.122 124.948 -0.826 18868 5810 1 17 . 1 1 79 79 ALA C C 79 182.313 182.313 179.596 2.717 18868 5811 1 17 . 1 1 79 79 ALA CA C 79 55.100 55.100 54.773 0.327 18868 5812 1 17 . 1 1 79 79 ALA H H 79 7.804 7.804 7.524 0.280 18868 5813 1 17 . 1 1 80 80 LEU N N 80 117.976 117.976 118.941 -0.965 18868 5814 1 17 . 1 1 80 80 LEU C C 80 178.389 178.389 179.030 -0.641 18868 5815 1 17 . 1 1 80 80 LEU CA C 80 57.400 57.400 57.498 -0.098 18868 5816 1 17 . 1 1 80 80 LEU H H 80 8.045 8.045 7.500 0.545 18868 5817 1 17 . 1 1 81 81 ALA N N 81 121.199 121.199 122.094 -0.895 18868 5818 1 17 . 1 1 81 81 ALA C C 81 181.617 181.617 179.741 1.876 18868 5819 1 17 . 1 1 81 81 ALA CA C 81 55.300 55.300 55.109 0.191 18868 5820 1 17 . 1 1 81 81 ALA H H 81 8.152 8.152 8.001 0.151 18868 5821 1 17 . 1 1 82 82 LEU N N 82 117.392 117.392 119.288 -1.896 18868 5822 1 17 . 1 1 82 82 LEU C C 82 180.828 180.828 179.153 1.675 18868 5823 1 17 . 1 1 82 82 LEU CA C 82 58.800 58.800 57.864 0.936 18868 5824 1 17 . 1 1 82 82 LEU H H 82 7.238 7.238 7.928 -0.690 18868 5825 1 17 . 1 1 83 83 ILE N N 83 124.342 124.342 119.537 4.805 18868 5826 1 17 . 1 1 83 83 ILE C C 83 177.495 177.495 178.188 -0.693 18868 5827 1 17 . 1 1 83 83 ILE CA C 83 60.500 60.500 65.555 -5.055 18868 5828 1 17 . 1 1 83 83 ILE H H 83 8.726 8.726 7.699 1.027 18868 5829 1 17 . 1 1 84 84 TYR N N 84 120.026 120.026 118.553 1.473 18868 5830 1 17 . 1 1 84 84 TYR C C 84 177.236 177.236 178.002 -0.766 18868 5831 1 17 . 1 1 84 84 TYR CA C 84 56.900 56.900 61.920 -5.020 18868 5832 1 17 . 1 1 84 84 TYR H H 84 8.241 8.241 8.448 -0.207 18868 5833 1 17 . 1 1 85 85 ASN N N 85 117.125 117.125 115.978 1.147 18868 5834 1 17 . 1 1 85 85 ASN C C 85 175.508 175.508 178.359 -2.851 18868 5835 1 17 . 1 1 85 85 ASN CA C 85 56.600 56.600 55.345 1.255 18868 5836 1 17 . 1 1 85 85 ASN H H 85 7.681 7.681 7.894 -0.213 18868 5837 1 17 . 1 1 86 86 GLU N N 86 119.756 119.756 121.092 -1.336 18868 5838 1 17 . 1 1 86 86 GLU C C 86 177.821 177.821 178.696 -0.875 18868 5839 1 17 . 1 1 86 86 GLU H H 86 8.790 8.790 8.484 0.306 18868 5840 1 17 . 1 1 87 87 ALA N N 87 112.780 112.780 120.792 -8.012 18868 5841 1 17 . 1 1 87 87 ALA H H 87 8.241 8.241 7.758 0.483 18868 5842 1 17 . 1 1 88 88 LEU N N 88 118.627 118.627 117.575 1.052 18868 5843 1 17 . 1 1 88 88 LEU CA C 88 57.900 57.900 54.777 3.123 18868 5844 1 17 . 1 1 88 88 LEU H H 88 8.384 8.384 7.397 0.987 18868 5845 1 17 . 1 1 89 89 LYS N N 89 118.552 118.552 120.509 -1.957 18868 5846 1 17 . 1 1 89 89 LYS C C 89 177.332 177.332 176.916 0.416 18868 5847 1 17 . 1 1 89 89 LYS CA C 89 56.900 56.900 57.306 -0.406 18868 5848 1 17 . 1 1 89 89 LYS H H 89 7.854 7.854 7.862 -0.008 18868 5849 1 18 . 1 1 3 3 SER N N 3 118.627 118.627 117.314 1.313 18868 5850 1 18 . 1 1 3 3 SER H H 3 8.384 8.384 8.595 -0.211 18868 5851 1 18 . 1 1 4 4 PRO C C 4 180.814 180.814 178.765 2.049 18868 5852 1 18 . 1 1 4 4 PRO CA C 4 66.500 66.500 65.856 0.644 18868 5853 1 18 . 1 1 5 5 LEU N N 5 119.501 119.501 118.152 1.349 18868 5854 1 18 . 1 1 5 5 LEU C C 5 179.272 179.272 178.552 0.720 18868 5855 1 18 . 1 1 5 5 LEU CA C 5 58.600 58.600 58.130 0.470 18868 5856 1 18 . 1 1 5 5 LEU H H 5 9.386 9.386 8.158 1.228 18868 5857 1 18 . 1 1 6 6 ASP N N 6 119.191 119.191 118.177 1.014 18868 5858 1 18 . 1 1 6 6 ASP C C 6 182.313 182.313 179.111 3.202 18868 5859 1 18 . 1 1 6 6 ASP CA C 6 58.000 58.000 57.693 0.307 18868 5860 1 18 . 1 1 6 6 ASP H H 6 7.912 7.912 7.948 -0.036 18868 5861 1 18 . 1 1 7 7 GLN N N 7 117.979 117.979 118.896 -0.917 18868 5862 1 18 . 1 1 7 7 GLN C C 7 179.998 179.998 178.442 1.556 18868 5863 1 18 . 1 1 7 7 GLN CA C 7 58.900 58.900 58.340 0.560 18868 5864 1 18 . 1 1 7 7 GLN H H 7 8.065 8.065 8.163 -0.098 18868 5865 1 18 . 1 1 8 8 ALA N N 8 124.008 124.008 123.670 0.338 18868 5866 1 18 . 1 1 8 8 ALA CA C 8 55.500 55.500 55.277 0.223 18868 5867 1 18 . 1 1 8 8 ALA H H 8 8.159 8.159 8.275 -0.116 18868 5868 1 18 . 1 1 9 9 ILE C C 9 179.258 179.258 178.396 0.862 18868 5869 1 18 . 1 1 9 9 ILE CA C 9 64.900 64.900 62.797 2.103 18868 5870 1 18 . 1 1 10 10 GLY N N 10 105.447 105.447 108.575 -3.128 18868 5871 1 18 . 1 1 10 10 GLY C C 10 177.984 177.984 176.287 1.697 18868 5872 1 18 . 1 1 10 10 GLY CA C 10 47.300 47.300 47.288 0.012 18868 5873 1 18 . 1 1 10 10 GLY H H 10 8.062 8.062 8.432 -0.370 18868 5874 1 18 . 1 1 11 11 LEU N N 11 124.755 124.755 123.057 1.698 18868 5875 1 18 . 1 1 11 11 LEU C C 11 178.346 178.346 178.610 -0.264 18868 5876 1 18 . 1 1 11 11 LEU CA C 11 58.000 58.000 57.617 0.383 18868 5877 1 18 . 1 1 11 11 LEU H H 11 8.067 8.067 8.114 -0.047 18868 5878 1 18 . 1 1 12 12 LEU N N 12 121.609 121.609 118.913 2.696 18868 5879 1 18 . 1 1 12 12 LEU C C 12 182.560 182.560 179.483 3.077 18868 5880 1 18 . 1 1 12 12 LEU CA C 12 59.000 59.000 58.258 0.742 18868 5881 1 18 . 1 1 12 12 LEU H H 12 7.997 7.997 7.714 0.283 18868 5882 1 18 . 1 1 13 13 VAL N N 13 119.951 119.951 118.939 1.012 18868 5883 1 18 . 1 1 13 13 VAL C C 13 178.016 178.016 178.211 -0.195 18868 5884 1 18 . 1 1 13 13 VAL CA C 13 67.100 67.100 65.894 1.206 18868 5885 1 18 . 1 1 13 13 VAL H H 13 8.087 8.087 8.138 -0.051 18868 5886 1 18 . 1 1 14 14 ALA N N 14 122.867 122.867 123.031 -0.164 18868 5887 1 18 . 1 1 14 14 ALA C C 14 175.380 175.380 179.161 -3.781 18868 5888 1 18 . 1 1 14 14 ALA CA C 14 55.600 55.600 55.168 0.432 18868 5889 1 18 . 1 1 14 14 ALA H H 14 8.363 8.363 7.950 0.413 18868 5890 1 18 . 1 1 15 15 ILE N N 15 118.496 118.496 118.139 0.357 18868 5891 1 18 . 1 1 15 15 ILE C C 15 178.058 178.058 178.655 -0.597 18868 5892 1 18 . 1 1 15 15 ILE CA C 15 64.800 64.800 64.751 0.049 18868 5893 1 18 . 1 1 15 15 ILE H H 15 8.787 8.787 7.865 0.922 18868 5894 1 18 . 1 1 16 16 PHE N N 16 119.259 119.259 122.471 -3.212 18868 5895 1 18 . 1 1 16 16 PHE H H 16 7.171 7.171 8.193 -1.022 18868 5896 1 18 . 1 1 17 17 HIS C C 17 178.660 178.660 176.946 1.714 18868 5897 1 18 . 1 1 17 17 HIS CA C 17 54.800 54.800 56.304 -1.504 18868 5898 1 18 . 1 1 17 17 HIS CB C 17 30.000 30.000 29.137 0.864 18868 5899 1 18 . 1 1 18 18 LYS N N 18 122.924 122.924 120.776 2.148 18868 5900 1 18 . 1 1 18 18 LYS C C 18 180.221 180.221 176.763 3.458 18868 5901 1 18 . 1 1 18 18 LYS CA C 18 58.800 58.800 58.224 0.576 18868 5902 1 18 . 1 1 18 18 LYS CB C 18 40.200 40.200 32.496 7.704 18868 5903 1 18 . 1 1 18 18 LYS H H 18 8.880 8.880 7.598 1.282 18868 5904 1 18 . 1 1 19 19 TYR N N 19 120.227 120.227 115.216 5.011 18868 5905 1 18 . 1 1 19 19 TYR C C 19 178.435 178.435 174.965 3.470 18868 5906 1 18 . 1 1 19 19 TYR CA C 19 55.300 55.300 57.986 -2.686 18868 5907 1 18 . 1 1 19 19 TYR H H 19 8.879 8.879 7.474 1.405 18868 5908 1 18 . 1 1 20 20 SER N N 20 119.760 119.760 115.317 4.443 18868 5909 1 18 . 1 1 20 20 SER C C 20 178.376 178.376 175.402 2.974 18868 5910 1 18 . 1 1 20 20 SER CA C 20 56.900 56.900 58.814 -1.914 18868 5911 1 18 . 1 1 20 20 SER CB C 20 61.700 61.700 62.154 -0.453 18868 5912 1 18 . 1 1 20 20 SER H H 20 7.557 7.557 7.386 0.171 18868 5913 1 18 . 1 1 21 21 GLY N N 21 111.202 111.202 114.087 -2.885 18868 5914 1 18 . 1 1 21 21 GLY C C 21 174.862 174.862 174.589 0.273 18868 5915 1 18 . 1 1 21 21 GLY CA C 21 45.600 45.600 44.960 0.640 18868 5916 1 18 . 1 1 21 21 GLY H H 21 7.696 7.696 8.356 -0.660 18868 5917 1 18 . 1 1 22 22 ARG N N 22 122.200 122.200 119.999 2.201 18868 5918 1 18 . 1 1 22 22 ARG C C 22 178.336 178.336 177.221 1.115 18868 5919 1 18 . 1 1 22 22 ARG CA C 22 59.500 59.500 58.368 1.132 18868 5920 1 18 . 1 1 22 22 ARG CB C 22 30.500 30.500 30.648 -0.148 18868 5921 1 18 . 1 1 22 22 ARG H H 22 7.311 7.311 8.217 -0.906 18868 5922 1 18 . 1 1 23 23 GLU N N 23 115.984 115.984 115.352 0.632 18868 5923 1 18 . 1 1 23 23 GLU C C 23 177.129 177.129 177.167 -0.038 18868 5924 1 18 . 1 1 23 23 GLU CA C 23 54.300 54.300 56.220 -1.920 18868 5925 1 18 . 1 1 23 23 GLU CB C 23 33.200 33.200 31.872 1.328 18868 5926 1 18 . 1 1 23 23 GLU H H 23 9.488 9.488 8.456 1.032 18868 5927 1 18 . 1 1 24 24 GLY N N 24 114.031 114.031 109.934 4.097 18868 5928 1 18 . 1 1 24 24 GLY C C 24 174.499 174.499 173.950 0.549 18868 5929 1 18 . 1 1 24 24 GLY CA C 24 45.900 45.900 44.244 1.656 18868 5930 1 18 . 1 1 24 24 GLY H H 24 9.048 9.048 7.927 1.121 18868 5931 1 18 . 1 1 25 25 ASP N N 25 125.634 125.634 120.261 5.373 18868 5932 1 18 . 1 1 25 25 ASP C C 25 177.998 177.998 177.306 0.692 18868 5933 1 18 . 1 1 25 25 ASP CA C 25 55.000 55.000 53.702 1.298 18868 5934 1 18 . 1 1 25 25 ASP H H 25 8.249 8.249 8.626 -0.377 18868 5935 1 18 . 1 1 26 26 LYS N N 26 121.469 121.469 121.912 -0.443 18868 5936 1 18 . 1 1 26 26 LYS CA C 26 57.600 57.600 57.091 0.509 18868 5937 1 18 . 1 1 26 26 LYS CB C 26 37.800 37.800 31.787 6.013 18868 5938 1 18 . 1 1 26 26 LYS H H 26 9.043 9.043 8.699 0.344 18868 5939 1 18 . 1 1 27 27 HIS N N 27 112.780 112.780 113.405 -0.625 18868 5940 1 18 . 1 1 27 27 HIS C C 27 175.067 175.067 173.987 1.080 18868 5941 1 18 . 1 1 27 27 HIS CA C 27 55.300 55.300 56.080 -0.780 18868 5942 1 18 . 1 1 27 27 HIS CB C 27 30.300 30.300 31.722 -1.422 18868 5943 1 18 . 1 1 27 27 HIS H H 27 8.241 8.241 7.930 0.311 18868 5944 1 18 . 1 1 28 28 THR N N 28 106.447 106.447 112.095 -5.648 18868 5945 1 18 . 1 1 28 28 THR C C 28 174.469 174.469 173.275 1.194 18868 5946 1 18 . 1 1 28 28 THR CA C 28 60.000 60.000 61.056 -1.056 18868 5947 1 18 . 1 1 28 28 THR H H 28 7.248 7.248 7.556 -0.308 18868 5948 1 18 . 1 1 29 29 LEU N N 29 125.037 125.037 126.154 -1.117 18868 5949 1 18 . 1 1 29 29 LEU C C 29 180.751 180.751 176.256 4.495 18868 5950 1 18 . 1 1 29 29 LEU CA C 29 55.200 55.200 53.862 1.337 18868 5951 1 18 . 1 1 29 29 LEU CB C 29 41.800 41.800 44.061 -2.261 18868 5952 1 18 . 1 1 29 29 LEU H H 29 9.421 9.421 9.260 0.161 18868 5953 1 18 . 1 1 30 30 SER N N 30 131.373 131.373 119.395 11.978 18868 5954 1 18 . 1 1 30 30 SER C C 30 177.946 177.946 176.195 1.751 18868 5955 1 18 . 1 1 30 30 SER CA C 30 57.900 57.900 57.324 0.576 18868 5956 1 18 . 1 1 30 30 SER H H 30 9.312 9.312 9.538 -0.226 18868 5957 1 18 . 1 1 31 31 LYS N N 31 117.689 117.689 119.250 -1.561 18868 5958 1 18 . 1 1 31 31 LYS CA C 31 57.800 57.800 58.115 -0.315 18868 5959 1 18 . 1 1 31 31 LYS H H 31 9.659 9.659 8.821 0.838 18868 5960 1 18 . 1 1 32 32 LYS C C 32 180.677 180.677 177.903 2.774 18868 5961 1 18 . 1 1 32 32 LYS CA C 32 59.800 59.800 59.134 0.666 18868 5962 1 18 . 1 1 33 33 GLU N N 33 120.336 120.336 120.471 -0.135 18868 5963 1 18 . 1 1 33 33 GLU C C 33 179.654 179.654 178.987 0.667 18868 5964 1 18 . 1 1 33 33 GLU CA C 33 59.300 59.300 59.687 -0.387 18868 5965 1 18 . 1 1 33 33 GLU H H 33 7.608 7.608 7.624 -0.016 18868 5966 1 18 . 1 1 34 34 LEU N N 34 117.303 117.303 120.658 -3.355 18868 5967 1 18 . 1 1 34 34 LEU C C 34 179.420 179.420 178.073 1.347 18868 5968 1 18 . 1 1 34 34 LEU CA C 34 58.200 58.200 58.083 0.117 18868 5969 1 18 . 1 1 34 34 LEU H H 34 7.659 7.659 8.292 -0.633 18868 5970 1 18 . 1 1 35 35 LYS N N 35 116.520 116.520 119.320 -2.800 18868 5971 1 18 . 1 1 35 35 LYS CA C 35 60.700 60.700 59.985 0.715 18868 5972 1 18 . 1 1 35 35 LYS CB C 35 32.000 32.000 31.752 0.248 18868 5973 1 18 . 1 1 35 35 LYS H H 35 7.731 7.731 8.211 -0.480 18868 5974 1 18 . 1 1 36 36 GLU N N 36 118.365 118.365 118.921 -0.556 18868 5975 1 18 . 1 1 36 36 GLU C C 36 177.868 177.868 178.349 -0.481 18868 5976 1 18 . 1 1 36 36 GLU CA C 36 59.700 59.700 58.722 0.978 18868 5977 1 18 . 1 1 36 36 GLU CB C 36 29.300 29.300 29.716 -0.416 18868 5978 1 18 . 1 1 36 36 GLU H H 36 7.871 7.871 7.507 0.364 18868 5979 1 18 . 1 1 37 37 LEU N N 37 121.068 121.068 120.718 0.350 18868 5980 1 18 . 1 1 37 37 LEU C C 37 176.731 176.731 178.514 -1.783 18868 5981 1 18 . 1 1 37 37 LEU CA C 37 59.500 59.500 57.747 1.753 18868 5982 1 18 . 1 1 37 37 LEU CB C 37 42.700 42.700 41.670 1.030 18868 5983 1 18 . 1 1 37 37 LEU H H 37 7.513 7.513 7.279 0.234 18868 5984 1 18 . 1 1 38 38 ILE N N 38 117.867 117.867 117.922 -0.055 18868 5985 1 18 . 1 1 38 38 ILE C C 38 178.658 178.658 178.419 0.239 18868 5986 1 18 . 1 1 38 38 ILE CA C 38 65.300 65.300 65.196 0.104 18868 5987 1 18 . 1 1 38 38 ILE H H 38 8.206 8.206 8.005 0.201 18868 5988 1 18 . 1 1 39 39 GLN N N 39 114.147 114.147 116.291 -2.144 18868 5989 1 18 . 1 1 39 39 GLN C C 39 180.003 180.003 177.038 2.965 18868 5990 1 18 . 1 1 39 39 GLN CA C 39 59.500 59.500 58.077 1.423 18868 5991 1 18 . 1 1 39 39 GLN H H 39 8.238 8.238 7.817 0.420 18868 5992 1 18 . 1 1 40 40 LYS N N 40 115.051 115.051 119.043 -3.992 18868 5993 1 18 . 1 1 40 40 LYS C C 40 180.483 180.483 177.721 2.762 18868 5994 1 18 . 1 1 40 40 LYS CA C 40 57.500 57.500 57.644 -0.144 18868 5995 1 18 . 1 1 40 40 LYS H H 40 8.298 8.298 7.640 0.658 18868 5996 1 18 . 1 1 41 41 GLU N N 41 112.448 112.448 117.310 -4.862 18868 5997 1 18 . 1 1 41 41 GLU C C 41 178.252 178.252 176.938 1.314 18868 5998 1 18 . 1 1 41 41 GLU CA C 41 55.700 55.700 56.557 -0.857 18868 5999 1 18 . 1 1 41 41 GLU H H 41 8.328 8.328 8.320 0.008 18868 6000 1 18 . 1 1 42 42 LEU N N 42 118.693 118.693 121.435 -2.742 18868 6001 1 18 . 1 1 42 42 LEU C C 42 179.377 179.377 177.190 2.187 18868 6002 1 18 . 1 1 42 42 LEU CA C 42 53.300 53.300 53.953 -0.653 18868 6003 1 18 . 1 1 42 42 LEU H H 42 7.361 7.361 7.359 0.002 18868 6004 1 18 . 1 1 43 43 THR N N 43 125.535 125.535 121.683 3.852 18868 6005 1 18 . 1 1 43 43 THR C C 43 180.403 180.403 176.326 4.077 18868 6006 1 18 . 1 1 43 43 THR CA C 43 67.300 67.300 65.711 1.589 18868 6007 1 18 . 1 1 43 43 THR H H 43 9.926 9.926 8.753 1.173 18868 6008 1 18 . 1 1 44 44 ILE N N 44 116.467 116.467 120.946 -4.479 18868 6009 1 18 . 1 1 44 44 ILE C C 44 178.107 178.107 177.535 0.572 18868 6010 1 18 . 1 1 44 44 ILE CA C 44 62.400 62.400 61.758 0.642 18868 6011 1 18 . 1 1 44 44 ILE CB C 44 38.300 38.300 37.880 0.420 18868 6012 1 18 . 1 1 44 44 ILE H H 44 8.214 8.214 8.043 0.171 18868 6013 1 18 . 1 1 45 45 GLY N N 45 108.241 108.241 108.884 -0.643 18868 6014 1 18 . 1 1 45 45 GLY C C 45 176.355 176.355 176.210 0.145 18868 6015 1 18 . 1 1 45 45 GLY CA C 45 47.400 47.400 47.183 0.217 18868 6016 1 18 . 1 1 45 45 GLY H H 45 7.750 7.750 8.769 -1.019 18868 6017 1 18 . 1 1 46 46 SER N N 46 113.635 113.635 115.231 -1.596 18868 6018 1 18 . 1 1 46 46 SER C C 46 176.007 176.007 174.701 1.306 18868 6019 1 18 . 1 1 46 46 SER CA C 46 60.100 60.100 60.018 0.082 18868 6020 1 18 . 1 1 46 46 SER H H 46 7.847 7.847 7.963 -0.116 18868 6021 1 18 . 1 1 47 47 LYS N N 47 119.437 119.437 119.615 -0.178 18868 6022 1 18 . 1 1 47 47 LYS C C 47 178.100 178.100 175.489 2.611 18868 6023 1 18 . 1 1 47 47 LYS CA C 47 56.000 56.000 55.779 0.221 18868 6024 1 18 . 1 1 47 47 LYS CB C 47 33.400 33.400 33.714 -0.314 18868 6025 1 18 . 1 1 47 47 LYS H H 47 7.709 7.709 7.649 0.060 18868 6026 1 18 . 1 1 48 48 LEU N N 48 120.169 120.169 121.382 -1.213 18868 6027 1 18 . 1 1 48 48 LEU C C 48 178.009 178.009 176.550 1.459 18868 6028 1 18 . 1 1 48 48 LEU CA C 48 55.000 55.000 54.266 0.734 18868 6029 1 18 . 1 1 48 48 LEU H H 48 7.139 7.139 7.266 -0.127 18868 6030 1 18 . 1 1 49 49 GLN N N 49 121.739 121.739 120.970 0.769 18868 6031 1 18 . 1 1 49 49 GLN C C 49 179.051 179.051 176.525 2.526 18868 6032 1 18 . 1 1 49 49 GLN CA C 49 55.800 55.800 55.884 -0.084 18868 6033 1 18 . 1 1 49 49 GLN H H 49 7.917 7.917 8.389 -0.472 18868 6034 1 18 . 1 1 50 50 ASP N N 50 119.121 119.121 122.881 -3.760 18868 6035 1 18 . 1 1 50 50 ASP C C 50 178.335 178.335 177.835 0.500 18868 6036 1 18 . 1 1 50 50 ASP CA C 50 59.300 59.300 58.066 1.234 18868 6037 1 18 . 1 1 50 50 ASP H H 50 7.597 7.597 8.872 -1.275 18868 6038 1 18 . 1 1 51 51 ALA N N 51 116.624 116.624 121.805 -5.181 18868 6039 1 18 . 1 1 51 51 ALA C C 51 181.587 181.587 179.660 1.927 18868 6040 1 18 . 1 1 51 51 ALA CA C 51 57.700 57.700 55.196 2.504 18868 6041 1 18 . 1 1 51 51 ALA H H 51 7.560 7.560 8.475 -0.915 18868 6042 1 18 . 1 1 52 52 GLU N N 52 118.931 118.931 118.884 0.047 18868 6043 1 18 . 1 1 52 52 GLU C C 52 180.495 180.495 179.142 1.353 18868 6044 1 18 . 1 1 52 52 GLU CA C 52 58.900 58.900 59.117 -0.217 18868 6045 1 18 . 1 1 52 52 GLU H H 52 8.511 8.511 8.398 0.113 18868 6046 1 18 . 1 1 53 53 ILE N N 53 120.400 120.400 120.051 0.349 18868 6047 1 18 . 1 1 53 53 ILE CA C 53 59.000 59.000 65.145 -6.145 18868 6048 1 18 . 1 1 53 53 ILE H H 53 7.905 7.905 8.192 -0.287 18868 6049 1 18 . 1 1 54 54 ALA C C 54 181.477 181.477 179.189 2.288 18868 6050 1 18 . 1 1 54 54 ALA CA C 54 55.600 55.600 55.441 0.159 18868 6051 1 18 . 1 1 55 55 ARG N N 55 118.315 118.315 119.244 -0.929 18868 6052 1 18 . 1 1 55 55 ARG C C 55 179.468 179.468 178.489 0.979 18868 6053 1 18 . 1 1 55 55 ARG CA C 55 59.100 59.100 59.046 0.054 18868 6054 1 18 . 1 1 55 55 ARG H H 55 7.448 7.448 8.026 -0.578 18868 6055 1 18 . 1 1 56 56 LEU N N 56 120.310 120.310 121.295 -0.985 18868 6056 1 18 . 1 1 56 56 LEU C C 56 179.984 179.984 178.692 1.292 18868 6057 1 18 . 1 1 56 56 LEU CA C 56 58.000 58.000 57.888 0.112 18868 6058 1 18 . 1 1 56 56 LEU H H 56 7.672 7.672 8.269 -0.597 18868 6059 1 18 . 1 1 57 57 MET N N 57 115.780 115.780 116.601 -0.821 18868 6060 1 18 . 1 1 57 57 MET C C 57 179.083 179.083 178.902 0.181 18868 6061 1 18 . 1 1 57 57 MET H H 57 8.354 8.354 8.489 -0.135 18868 6062 1 18 . 1 1 58 58 GLU N N 58 117.826 117.826 119.903 -2.077 18868 6063 1 18 . 1 1 58 58 GLU C C 58 179.161 179.161 178.050 1.111 18868 6064 1 18 . 1 1 58 58 GLU CA C 58 59.300 59.300 58.522 0.778 18868 6065 1 18 . 1 1 58 58 GLU CB C 58 31.100 31.100 29.076 2.025 18868 6066 1 18 . 1 1 58 58 GLU H H 58 7.620 7.620 7.837 -0.217 18868 6067 1 18 . 1 1 59 59 ASP N N 59 117.801 117.801 120.262 -2.461 18868 6068 1 18 . 1 1 59 59 ASP CA C 59 57.200 57.200 57.098 0.102 18868 6069 1 18 . 1 1 59 59 ASP H H 59 8.693 8.693 7.909 0.784 18868 6070 1 18 . 1 1 60 60 LEU N N 60 117.370 117.370 117.959 -0.589 18868 6071 1 18 . 1 1 60 60 LEU C C 60 179.216 179.216 177.337 1.879 18868 6072 1 18 . 1 1 60 60 LEU CA C 60 56.200 56.200 56.525 -0.325 18868 6073 1 18 . 1 1 60 60 LEU H H 60 8.159 8.159 7.551 0.608 18868 6074 1 18 . 1 1 61 61 ASP N N 61 117.835 117.835 118.892 -1.057 18868 6075 1 18 . 1 1 61 61 ASP C C 61 178.473 178.473 176.757 1.716 18868 6076 1 18 . 1 1 61 61 ASP CA C 61 52.800 52.800 55.146 -2.346 18868 6077 1 18 . 1 1 61 61 ASP CB C 61 39.100 39.100 39.824 -0.724 18868 6078 1 18 . 1 1 61 61 ASP H H 61 7.559 7.559 7.523 0.036 18868 6079 1 18 . 1 1 62 62 ARG N N 62 125.783 125.783 123.478 2.305 18868 6080 1 18 . 1 1 62 62 ARG C C 62 178.519 178.519 177.415 1.104 18868 6081 1 18 . 1 1 62 62 ARG CA C 62 58.500 58.500 58.503 -0.003 18868 6082 1 18 . 1 1 62 62 ARG CB C 62 30.200 30.200 29.937 0.263 18868 6083 1 18 . 1 1 62 62 ARG H H 62 7.839 7.839 8.473 -0.634 18868 6084 1 18 . 1 1 63 63 ASN N N 63 112.348 112.348 116.435 -4.087 18868 6085 1 18 . 1 1 63 63 ASN C C 63 175.597 175.597 174.367 1.230 18868 6086 1 18 . 1 1 63 63 ASN CA C 63 51.900 51.900 52.594 -0.694 18868 6087 1 18 . 1 1 63 63 ASN CB C 63 36.700 36.700 38.605 -1.905 18868 6088 1 18 . 1 1 63 63 ASN H H 63 7.899 7.899 8.202 -0.303 18868 6089 1 18 . 1 1 64 64 LYS N N 64 114.407 114.407 118.307 -3.900 18868 6090 1 18 . 1 1 64 64 LYS C C 64 176.731 176.731 175.218 1.513 18868 6091 1 18 . 1 1 64 64 LYS CA C 64 59.500 59.500 57.376 2.124 18868 6092 1 18 . 1 1 64 64 LYS H H 64 7.485 7.485 7.799 -0.314 18868 6093 1 18 . 1 1 65 65 ASP N N 65 117.880 117.880 120.402 -2.522 18868 6094 1 18 . 1 1 65 65 ASP C C 65 177.981 177.981 176.389 1.592 18868 6095 1 18 . 1 1 65 65 ASP CA C 65 52.900 52.900 54.087 -1.187 18868 6096 1 18 . 1 1 65 65 ASP H H 65 8.184 8.184 9.165 -0.981 18868 6097 1 18 . 1 1 66 66 GLN N N 66 114.037 114.037 114.353 -0.316 18868 6098 1 18 . 1 1 66 66 GLN C C 66 175.374 175.374 174.779 0.595 18868 6099 1 18 . 1 1 66 66 GLN CA C 66 57.900 57.900 58.007 -0.107 18868 6100 1 18 . 1 1 66 66 GLN CB C 66 26.200 26.200 25.979 0.221 18868 6101 1 18 . 1 1 66 66 GLN H H 66 9.917 9.917 9.174 0.743 18868 6102 1 18 . 1 1 67 67 GLU N N 67 117.611 117.611 118.327 -0.716 18868 6103 1 18 . 1 1 67 67 GLU C C 67 176.826 176.826 175.766 1.060 18868 6104 1 18 . 1 1 67 67 GLU CA C 67 54.000 54.000 54.925 -0.925 18868 6105 1 18 . 1 1 67 67 GLU CB C 67 33.100 33.100 31.084 2.016 18868 6106 1 18 . 1 1 67 67 GLU H H 67 7.800 7.800 8.472 -0.672 18868 6107 1 18 . 1 1 68 68 VAL N N 68 126.064 126.064 125.977 0.087 18868 6108 1 18 . 1 1 68 68 VAL C C 68 177.398 177.398 175.634 1.764 18868 6109 1 18 . 1 1 68 68 VAL CA C 68 61.100 61.100 63.695 -2.595 18868 6110 1 18 . 1 1 68 68 VAL CB C 68 33.300 33.300 31.431 1.869 18868 6111 1 18 . 1 1 68 68 VAL H H 68 9.656 9.656 8.264 1.392 18868 6112 1 18 . 1 1 69 69 ASN N N 69 127.002 127.002 126.364 0.638 18868 6113 1 18 . 1 1 69 69 ASN C C 69 175.438 175.438 175.724 -0.286 18868 6114 1 18 . 1 1 69 69 ASN CA C 69 51.200 51.200 51.689 -0.489 18868 6115 1 18 . 1 1 69 69 ASN H H 69 9.036 9.036 9.579 -0.543 18868 6116 1 18 . 1 1 70 70 PHE N N 70 119.437 119.437 119.475 -0.038 18868 6117 1 18 . 1 1 70 70 PHE C C 70 177.652 177.652 177.366 0.286 18868 6118 1 18 . 1 1 70 70 PHE CA C 70 63.300 63.300 61.933 1.367 18868 6119 1 18 . 1 1 70 70 PHE H H 70 9.055 9.055 9.206 -0.151 18868 6120 1 18 . 1 1 71 71 GLN N N 71 117.576 117.576 117.418 0.158 18868 6121 1 18 . 1 1 71 71 GLN C C 71 180.488 180.488 178.183 2.305 18868 6122 1 18 . 1 1 71 71 GLN CA C 71 60.100 60.100 59.620 0.480 18868 6123 1 18 . 1 1 71 71 GLN CB C 71 27.900 27.900 28.221 -0.321 18868 6124 1 18 . 1 1 71 71 GLN H H 71 8.273 8.273 8.816 -0.543 18868 6125 1 18 . 1 1 72 72 GLU N N 72 119.971 119.971 119.663 0.308 18868 6126 1 18 . 1 1 72 72 GLU C C 72 179.001 179.001 179.027 -0.026 18868 6127 1 18 . 1 1 72 72 GLU CA C 72 58.700 58.700 59.634 -0.934 18868 6128 1 18 . 1 1 72 72 GLU H H 72 8.631 8.631 7.610 1.021 18868 6129 1 18 . 1 1 73 73 TYR N N 73 120.475 120.475 121.309 -0.834 18868 6130 1 18 . 1 1 73 73 TYR C C 73 180.040 180.040 177.320 2.720 18868 6131 1 18 . 1 1 73 73 TYR H H 73 7.721 7.721 8.136 -0.415 18868 6132 1 18 . 1 1 74 74 VAL N N 74 119.604 119.604 118.589 1.015 18868 6133 1 18 . 1 1 74 74 VAL C C 74 177.821 177.821 177.808 0.013 18868 6134 1 18 . 1 1 74 74 VAL CA C 74 60.200 60.200 67.151 -6.951 18868 6135 1 18 . 1 1 74 74 VAL CB C 74 33.800 33.800 30.829 2.971 18868 6136 1 18 . 1 1 74 74 VAL H H 74 8.147 8.147 8.197 -0.050 18868 6137 1 18 . 1 1 75 75 THR N N 75 124.638 124.638 116.011 8.627 18868 6138 1 18 . 1 1 75 75 THR C C 75 179.971 179.971 176.651 3.320 18868 6139 1 18 . 1 1 75 75 THR CA C 75 60.600 60.600 66.725 -6.125 18868 6140 1 18 . 1 1 75 75 THR H H 75 7.714 7.714 7.379 0.335 18868 6141 1 18 . 1 1 76 76 PHE N N 76 116.963 116.963 122.908 -5.945 18868 6142 1 18 . 1 1 76 76 PHE C C 76 177.695 177.695 176.431 1.264 18868 6143 1 18 . 1 1 76 76 PHE CA C 76 60.000 60.000 60.327 -0.327 18868 6144 1 18 . 1 1 76 76 PHE H H 76 7.864 7.864 7.244 0.620 18868 6145 1 18 . 1 1 77 77 LEU N N 77 117.568 117.568 119.156 -1.588 18868 6146 1 18 . 1 1 77 77 LEU C C 77 180.668 180.668 178.718 1.950 18868 6147 1 18 . 1 1 77 77 LEU CA C 77 57.800 57.800 57.356 0.444 18868 6148 1 18 . 1 1 77 77 LEU H H 77 7.913 7.913 7.807 0.106 18868 6149 1 18 . 1 1 78 78 GLY N N 78 104.257 104.257 106.160 -1.903 18868 6150 1 18 . 1 1 78 78 GLY C C 78 176.062 176.062 175.290 0.772 18868 6151 1 18 . 1 1 78 78 GLY CA C 78 47.600 47.600 47.033 0.566 18868 6152 1 18 . 1 1 78 78 GLY H H 78 8.057 8.057 8.323 -0.266 18868 6153 1 18 . 1 1 79 79 ALA N N 79 124.122 124.122 124.874 -0.752 18868 6154 1 18 . 1 1 79 79 ALA C C 79 182.313 182.313 179.610 2.703 18868 6155 1 18 . 1 1 79 79 ALA CA C 79 55.100 55.100 54.771 0.329 18868 6156 1 18 . 1 1 79 79 ALA H H 79 7.804 7.804 7.442 0.362 18868 6157 1 18 . 1 1 80 80 LEU N N 80 117.976 117.976 118.776 -0.800 18868 6158 1 18 . 1 1 80 80 LEU C C 80 178.389 178.389 179.078 -0.689 18868 6159 1 18 . 1 1 80 80 LEU CA C 80 57.400 57.400 57.492 -0.092 18868 6160 1 18 . 1 1 80 80 LEU H H 80 8.045 8.045 7.593 0.452 18868 6161 1 18 . 1 1 81 81 ALA N N 81 121.199 121.199 122.008 -0.809 18868 6162 1 18 . 1 1 81 81 ALA C C 81 181.617 181.617 179.759 1.858 18868 6163 1 18 . 1 1 81 81 ALA CA C 81 55.300 55.300 55.082 0.218 18868 6164 1 18 . 1 1 81 81 ALA H H 81 8.152 8.152 7.729 0.423 18868 6165 1 18 . 1 1 82 82 LEU N N 82 117.392 117.392 118.840 -1.448 18868 6166 1 18 . 1 1 82 82 LEU C C 82 180.828 180.828 179.253 1.575 18868 6167 1 18 . 1 1 82 82 LEU CA C 82 58.800 58.800 57.984 0.816 18868 6168 1 18 . 1 1 82 82 LEU H H 82 7.238 7.238 7.904 -0.666 18868 6169 1 18 . 1 1 83 83 ILE N N 83 124.342 124.342 119.410 4.932 18868 6170 1 18 . 1 1 83 83 ILE C C 83 177.495 177.495 178.242 -0.747 18868 6171 1 18 . 1 1 83 83 ILE CA C 83 60.500 60.500 65.413 -4.913 18868 6172 1 18 . 1 1 83 83 ILE H H 83 8.726 8.726 7.686 1.040 18868 6173 1 18 . 1 1 84 84 TYR N N 84 120.026 120.026 118.232 1.794 18868 6174 1 18 . 1 1 84 84 TYR C C 84 177.236 177.236 178.132 -0.896 18868 6175 1 18 . 1 1 84 84 TYR CA C 84 56.900 56.900 61.784 -4.884 18868 6176 1 18 . 1 1 84 84 TYR H H 84 8.241 8.241 8.067 0.174 18868 6177 1 18 . 1 1 85 85 ASN N N 85 117.125 117.125 117.073 0.052 18868 6178 1 18 . 1 1 85 85 ASN C C 85 175.508 175.508 178.330 -2.822 18868 6179 1 18 . 1 1 85 85 ASN CA C 85 56.600 56.600 55.503 1.097 18868 6180 1 18 . 1 1 85 85 ASN H H 85 7.681 7.681 7.825 -0.144 18868 6181 1 18 . 1 1 86 86 GLU N N 86 119.756 119.756 120.535 -0.779 18868 6182 1 18 . 1 1 86 86 GLU C C 86 177.821 177.821 178.740 -0.919 18868 6183 1 18 . 1 1 86 86 GLU H H 86 8.790 8.790 8.393 0.397 18868 6184 1 18 . 1 1 87 87 ALA N N 87 112.780 112.780 121.147 -8.367 18868 6185 1 18 . 1 1 87 87 ALA H H 87 8.241 8.241 7.552 0.689 18868 6186 1 18 . 1 1 88 88 LEU N N 88 118.627 118.627 117.341 1.286 18868 6187 1 18 . 1 1 88 88 LEU CA C 88 57.900 57.900 54.730 3.171 18868 6188 1 18 . 1 1 88 88 LEU H H 88 8.384 8.384 7.456 0.928 18868 6189 1 18 . 1 1 89 89 LYS N N 89 118.552 118.552 120.646 -2.094 18868 6190 1 18 . 1 1 89 89 LYS C C 89 177.332 177.332 177.111 0.221 18868 6191 1 18 . 1 1 89 89 LYS CA C 89 56.900 56.900 57.101 -0.201 18868 6192 1 18 . 1 1 89 89 LYS H H 89 7.854 7.854 7.506 0.348 18868 6193 1 19 . 1 1 3 3 SER N N 3 118.627 118.627 117.594 1.033 18868 6194 1 19 . 1 1 3 3 SER H H 3 8.384 8.384 8.575 -0.191 18868 6195 1 19 . 1 1 4 4 PRO C C 4 180.814 180.814 178.702 2.112 18868 6196 1 19 . 1 1 4 4 PRO CA C 4 66.500 66.500 65.723 0.777 18868 6197 1 19 . 1 1 5 5 LEU N N 5 119.501 119.501 118.850 0.651 18868 6198 1 19 . 1 1 5 5 LEU C C 5 179.272 179.272 178.473 0.799 18868 6199 1 19 . 1 1 5 5 LEU CA C 5 58.600 58.600 58.569 0.031 18868 6200 1 19 . 1 1 5 5 LEU H H 5 9.386 9.386 8.105 1.281 18868 6201 1 19 . 1 1 6 6 ASP N N 6 119.191 119.191 118.590 0.601 18868 6202 1 19 . 1 1 6 6 ASP C C 6 182.313 182.313 179.022 3.291 18868 6203 1 19 . 1 1 6 6 ASP CA C 6 58.000 58.000 57.746 0.254 18868 6204 1 19 . 1 1 6 6 ASP H H 6 7.912 7.912 8.445 -0.533 18868 6205 1 19 . 1 1 7 7 GLN N N 7 117.979 117.979 118.720 -0.741 18868 6206 1 19 . 1 1 7 7 GLN C C 7 179.998 179.998 178.535 1.463 18868 6207 1 19 . 1 1 7 7 GLN CA C 7 58.900 58.900 58.593 0.307 18868 6208 1 19 . 1 1 7 7 GLN H H 7 8.065 8.065 8.346 -0.281 18868 6209 1 19 . 1 1 8 8 ALA N N 8 124.008 124.008 123.502 0.506 18868 6210 1 19 . 1 1 8 8 ALA CA C 8 55.500 55.500 55.255 0.245 18868 6211 1 19 . 1 1 8 8 ALA H H 8 8.159 8.159 8.258 -0.099 18868 6212 1 19 . 1 1 9 9 ILE C C 9 179.258 179.258 178.421 0.837 18868 6213 1 19 . 1 1 9 9 ILE CA C 9 64.900 64.900 63.035 1.865 18868 6214 1 19 . 1 1 10 10 GLY N N 10 105.447 105.447 108.060 -2.613 18868 6215 1 19 . 1 1 10 10 GLY C C 10 177.984 177.984 176.208 1.776 18868 6216 1 19 . 1 1 10 10 GLY CA C 10 47.300 47.300 47.201 0.099 18868 6217 1 19 . 1 1 10 10 GLY H H 10 8.062 8.062 8.510 -0.448 18868 6218 1 19 . 1 1 11 11 LEU N N 11 124.755 124.755 122.948 1.807 18868 6219 1 19 . 1 1 11 11 LEU C C 11 178.346 178.346 178.488 -0.142 18868 6220 1 19 . 1 1 11 11 LEU CA C 11 58.000 58.000 57.835 0.165 18868 6221 1 19 . 1 1 11 11 LEU H H 11 8.067 8.067 7.885 0.182 18868 6222 1 19 . 1 1 12 12 LEU N N 12 121.609 121.609 119.270 2.339 18868 6223 1 19 . 1 1 12 12 LEU C C 12 182.560 182.560 179.588 2.972 18868 6224 1 19 . 1 1 12 12 LEU CA C 12 59.000 59.000 58.288 0.712 18868 6225 1 19 . 1 1 12 12 LEU H H 12 7.997 7.997 8.023 -0.026 18868 6226 1 19 . 1 1 13 13 VAL N N 13 119.951 119.951 119.084 0.867 18868 6227 1 19 . 1 1 13 13 VAL C C 13 178.016 178.016 177.737 0.279 18868 6228 1 19 . 1 1 13 13 VAL CA C 13 67.100 67.100 66.820 0.280 18868 6229 1 19 . 1 1 13 13 VAL H H 13 8.087 8.087 8.200 -0.113 18868 6230 1 19 . 1 1 14 14 ALA N N 14 122.867 122.867 122.728 0.139 18868 6231 1 19 . 1 1 14 14 ALA C C 14 175.380 175.380 179.923 -4.543 18868 6232 1 19 . 1 1 14 14 ALA CA C 14 55.600 55.600 55.203 0.397 18868 6233 1 19 . 1 1 14 14 ALA H H 14 8.363 8.363 7.921 0.442 18868 6234 1 19 . 1 1 15 15 ILE N N 15 118.496 118.496 118.671 -0.175 18868 6235 1 19 . 1 1 15 15 ILE C C 15 178.058 178.058 177.790 0.268 18868 6236 1 19 . 1 1 15 15 ILE CA C 15 64.800 64.800 65.012 -0.212 18868 6237 1 19 . 1 1 15 15 ILE H H 15 8.787 8.787 7.916 0.871 18868 6238 1 19 . 1 1 16 16 PHE N N 16 119.259 119.259 120.946 -1.687 18868 6239 1 19 . 1 1 16 16 PHE H H 16 7.171 7.171 7.886 -0.715 18868 6240 1 19 . 1 1 17 17 HIS C C 17 178.660 178.660 177.319 1.341 18868 6241 1 19 . 1 1 17 17 HIS CA C 17 54.800 54.800 56.331 -1.531 18868 6242 1 19 . 1 1 17 17 HIS CB C 17 30.000 30.000 29.331 0.669 18868 6243 1 19 . 1 1 18 18 LYS N N 18 122.924 122.924 120.608 2.316 18868 6244 1 19 . 1 1 18 18 LYS C C 18 180.221 180.221 177.101 3.120 18868 6245 1 19 . 1 1 18 18 LYS CA C 18 58.800 58.800 58.590 0.210 18868 6246 1 19 . 1 1 18 18 LYS CB C 18 40.200 40.200 32.312 7.888 18868 6247 1 19 . 1 1 18 18 LYS H H 18 8.880 8.880 7.402 1.478 18868 6248 1 19 . 1 1 19 19 TYR N N 19 120.227 120.227 115.603 4.624 18868 6249 1 19 . 1 1 19 19 TYR C C 19 178.435 178.435 175.205 3.230 18868 6250 1 19 . 1 1 19 19 TYR CA C 19 55.300 55.300 58.715 -3.416 18868 6251 1 19 . 1 1 19 19 TYR H H 19 8.879 8.879 7.519 1.360 18868 6252 1 19 . 1 1 20 20 SER N N 20 119.760 119.760 115.265 4.495 18868 6253 1 19 . 1 1 20 20 SER C C 20 178.376 178.376 175.271 3.105 18868 6254 1 19 . 1 1 20 20 SER CA C 20 56.900 56.900 59.315 -2.415 18868 6255 1 19 . 1 1 20 20 SER CB C 20 61.700 61.700 62.324 -0.624 18868 6256 1 19 . 1 1 20 20 SER H H 20 7.557 7.557 7.464 0.093 18868 6257 1 19 . 1 1 21 21 GLY N N 21 111.202 111.202 114.465 -3.263 18868 6258 1 19 . 1 1 21 21 GLY C C 21 174.862 174.862 174.482 0.380 18868 6259 1 19 . 1 1 21 21 GLY CA C 21 45.600 45.600 44.899 0.701 18868 6260 1 19 . 1 1 21 21 GLY H H 21 7.696 7.696 8.325 -0.629 18868 6261 1 19 . 1 1 22 22 ARG N N 22 122.200 122.200 119.558 2.642 18868 6262 1 19 . 1 1 22 22 ARG C C 22 178.336 178.336 176.282 2.054 18868 6263 1 19 . 1 1 22 22 ARG CA C 22 59.500 59.500 57.549 1.951 18868 6264 1 19 . 1 1 22 22 ARG CB C 22 30.500 30.500 31.167 -0.667 18868 6265 1 19 . 1 1 22 22 ARG H H 22 7.311 7.311 8.676 -1.365 18868 6266 1 19 . 1 1 23 23 GLU N N 23 115.984 115.984 115.550 0.434 18868 6267 1 19 . 1 1 23 23 GLU C C 23 177.129 177.129 176.089 1.040 18868 6268 1 19 . 1 1 23 23 GLU CA C 23 54.300 54.300 55.403 -1.103 18868 6269 1 19 . 1 1 23 23 GLU CB C 23 33.200 33.200 32.198 1.002 18868 6270 1 19 . 1 1 23 23 GLU H H 23 9.488 9.488 8.156 1.332 18868 6271 1 19 . 1 1 24 24 GLY N N 24 114.031 114.031 110.652 3.379 18868 6272 1 19 . 1 1 24 24 GLY C C 24 174.499 174.499 173.748 0.751 18868 6273 1 19 . 1 1 24 24 GLY CA C 24 45.900 45.900 46.026 -0.126 18868 6274 1 19 . 1 1 24 24 GLY H H 24 9.048 9.048 8.649 0.399 18868 6275 1 19 . 1 1 25 25 ASP N N 25 125.634 125.634 121.431 4.203 18868 6276 1 19 . 1 1 25 25 ASP C C 25 177.998 177.998 174.735 3.263 18868 6277 1 19 . 1 1 25 25 ASP CA C 25 55.000 55.000 53.293 1.707 18868 6278 1 19 . 1 1 25 25 ASP H H 25 8.249 8.249 8.088 0.161 18868 6279 1 19 . 1 1 26 26 LYS N N 26 121.469 121.469 118.608 2.861 18868 6280 1 19 . 1 1 26 26 LYS CA C 26 57.600 57.600 56.411 1.189 18868 6281 1 19 . 1 1 26 26 LYS CB C 26 37.800 37.800 33.577 4.223 18868 6282 1 19 . 1 1 26 26 LYS H H 26 9.043 9.043 8.512 0.531 18868 6283 1 19 . 1 1 27 27 HIS N N 27 112.780 112.780 116.276 -3.496 18868 6284 1 19 . 1 1 27 27 HIS C C 27 175.067 175.067 173.998 1.069 18868 6285 1 19 . 1 1 27 27 HIS CA C 27 55.300 55.300 57.474 -2.174 18868 6286 1 19 . 1 1 27 27 HIS CB C 27 30.300 30.300 31.225 -0.925 18868 6287 1 19 . 1 1 27 27 HIS H H 27 8.241 8.241 8.452 -0.211 18868 6288 1 19 . 1 1 28 28 THR N N 28 106.447 106.447 110.315 -3.868 18868 6289 1 19 . 1 1 28 28 THR C C 28 174.469 174.469 172.807 1.662 18868 6290 1 19 . 1 1 28 28 THR CA C 28 60.000 60.000 60.389 -0.389 18868 6291 1 19 . 1 1 28 28 THR H H 28 7.248 7.248 7.462 -0.214 18868 6292 1 19 . 1 1 29 29 LEU N N 29 125.037 125.037 122.229 2.808 18868 6293 1 19 . 1 1 29 29 LEU C C 29 180.751 180.751 175.787 4.964 18868 6294 1 19 . 1 1 29 29 LEU CA C 29 55.200 55.200 53.431 1.768 18868 6295 1 19 . 1 1 29 29 LEU CB C 29 41.800 41.800 45.053 -3.253 18868 6296 1 19 . 1 1 29 29 LEU H H 29 9.421 9.421 9.050 0.371 18868 6297 1 19 . 1 1 30 30 SER N N 30 131.373 131.373 119.780 11.593 18868 6298 1 19 . 1 1 30 30 SER C C 30 177.946 177.946 176.100 1.846 18868 6299 1 19 . 1 1 30 30 SER CA C 30 57.900 57.900 57.920 -0.020 18868 6300 1 19 . 1 1 30 30 SER H H 30 9.312 9.312 9.499 -0.187 18868 6301 1 19 . 1 1 31 31 LYS N N 31 117.689 117.689 120.416 -2.727 18868 6302 1 19 . 1 1 31 31 LYS CA C 31 57.800 57.800 58.623 -0.823 18868 6303 1 19 . 1 1 31 31 LYS H H 31 9.659 9.659 8.736 0.923 18868 6304 1 19 . 1 1 32 32 LYS C C 32 180.677 180.677 177.827 2.850 18868 6305 1 19 . 1 1 32 32 LYS CA C 32 59.800 59.800 59.179 0.621 18868 6306 1 19 . 1 1 33 33 GLU N N 33 120.336 120.336 120.623 -0.287 18868 6307 1 19 . 1 1 33 33 GLU C C 33 179.654 179.654 178.975 0.679 18868 6308 1 19 . 1 1 33 33 GLU CA C 33 59.300 59.300 59.579 -0.279 18868 6309 1 19 . 1 1 33 33 GLU H H 33 7.608 7.608 7.733 -0.125 18868 6310 1 19 . 1 1 34 34 LEU N N 34 117.303 117.303 120.859 -3.556 18868 6311 1 19 . 1 1 34 34 LEU C C 34 179.420 179.420 178.143 1.277 18868 6312 1 19 . 1 1 34 34 LEU CA C 34 58.200 58.200 58.313 -0.113 18868 6313 1 19 . 1 1 34 34 LEU H H 34 7.659 7.659 8.217 -0.558 18868 6314 1 19 . 1 1 35 35 LYS N N 35 116.520 116.520 119.101 -2.581 18868 6315 1 19 . 1 1 35 35 LYS CA C 35 60.700 60.700 60.108 0.592 18868 6316 1 19 . 1 1 35 35 LYS CB C 35 32.000 32.000 31.704 0.296 18868 6317 1 19 . 1 1 35 35 LYS H H 35 7.731 7.731 8.176 -0.445 18868 6318 1 19 . 1 1 36 36 GLU N N 36 118.365 118.365 118.972 -0.607 18868 6319 1 19 . 1 1 36 36 GLU C C 36 177.868 177.868 178.376 -0.508 18868 6320 1 19 . 1 1 36 36 GLU CA C 36 59.700 59.700 58.893 0.807 18868 6321 1 19 . 1 1 36 36 GLU CB C 36 29.300 29.300 29.748 -0.448 18868 6322 1 19 . 1 1 36 36 GLU H H 36 7.871 7.871 7.489 0.382 18868 6323 1 19 . 1 1 37 37 LEU N N 37 121.068 121.068 120.067 1.001 18868 6324 1 19 . 1 1 37 37 LEU C C 37 176.731 176.731 178.305 -1.574 18868 6325 1 19 . 1 1 37 37 LEU CA C 37 59.500 59.500 57.498 2.002 18868 6326 1 19 . 1 1 37 37 LEU CB C 37 42.700 42.700 41.869 0.831 18868 6327 1 19 . 1 1 37 37 LEU H H 37 7.513 7.513 7.416 0.097 18868 6328 1 19 . 1 1 38 38 ILE N N 38 117.867 117.867 118.205 -0.338 18868 6329 1 19 . 1 1 38 38 ILE C C 38 178.658 178.658 178.374 0.284 18868 6330 1 19 . 1 1 38 38 ILE CA C 38 65.300 65.300 65.147 0.153 18868 6331 1 19 . 1 1 38 38 ILE H H 38 8.206 8.206 7.965 0.241 18868 6332 1 19 . 1 1 39 39 GLN N N 39 114.147 114.147 115.924 -1.777 18868 6333 1 19 . 1 1 39 39 GLN C C 39 180.003 180.003 176.550 3.453 18868 6334 1 19 . 1 1 39 39 GLN CA C 39 59.500 59.500 57.426 2.074 18868 6335 1 19 . 1 1 39 39 GLN H H 39 8.238 8.238 7.863 0.375 18868 6336 1 19 . 1 1 40 40 LYS N N 40 115.051 115.051 118.770 -3.719 18868 6337 1 19 . 1 1 40 40 LYS C C 40 180.483 180.483 177.468 3.015 18868 6338 1 19 . 1 1 40 40 LYS CA C 40 57.500 57.500 57.514 -0.014 18868 6339 1 19 . 1 1 40 40 LYS H H 40 8.298 8.298 7.616 0.682 18868 6340 1 19 . 1 1 41 41 GLU N N 41 112.448 112.448 117.431 -4.983 18868 6341 1 19 . 1 1 41 41 GLU C C 41 178.252 178.252 176.912 1.340 18868 6342 1 19 . 1 1 41 41 GLU CA C 41 55.700 55.700 56.508 -0.808 18868 6343 1 19 . 1 1 41 41 GLU H H 41 8.328 8.328 8.296 0.032 18868 6344 1 19 . 1 1 42 42 LEU N N 42 118.693 118.693 121.535 -2.842 18868 6345 1 19 . 1 1 42 42 LEU C C 42 179.377 179.377 177.079 2.298 18868 6346 1 19 . 1 1 42 42 LEU CA C 42 53.300 53.300 54.013 -0.713 18868 6347 1 19 . 1 1 42 42 LEU H H 42 7.361 7.361 7.347 0.014 18868 6348 1 19 . 1 1 43 43 THR N N 43 125.535 125.535 121.154 4.381 18868 6349 1 19 . 1 1 43 43 THR C C 43 180.403 180.403 176.220 4.183 18868 6350 1 19 . 1 1 43 43 THR CA C 43 67.300 67.300 66.426 0.874 18868 6351 1 19 . 1 1 43 43 THR H H 43 9.926 9.926 8.610 1.316 18868 6352 1 19 . 1 1 44 44 ILE N N 44 116.467 116.467 120.951 -4.484 18868 6353 1 19 . 1 1 44 44 ILE C C 44 178.107 178.107 177.888 0.219 18868 6354 1 19 . 1 1 44 44 ILE CA C 44 62.400 62.400 61.536 0.864 18868 6355 1 19 . 1 1 44 44 ILE CB C 44 38.300 38.300 37.827 0.473 18868 6356 1 19 . 1 1 44 44 ILE H H 44 8.214 8.214 7.920 0.294 18868 6357 1 19 . 1 1 45 45 GLY N N 45 108.241 108.241 108.767 -0.526 18868 6358 1 19 . 1 1 45 45 GLY C C 45 176.355 176.355 176.073 0.282 18868 6359 1 19 . 1 1 45 45 GLY CA C 45 47.400 47.400 47.241 0.159 18868 6360 1 19 . 1 1 45 45 GLY H H 45 7.750 7.750 8.780 -1.030 18868 6361 1 19 . 1 1 46 46 SER N N 46 113.635 113.635 115.057 -1.422 18868 6362 1 19 . 1 1 46 46 SER C C 46 176.007 176.007 174.786 1.221 18868 6363 1 19 . 1 1 46 46 SER CA C 46 60.100 60.100 59.554 0.546 18868 6364 1 19 . 1 1 46 46 SER H H 46 7.847 7.847 8.079 -0.232 18868 6365 1 19 . 1 1 47 47 LYS N N 47 119.437 119.437 119.683 -0.246 18868 6366 1 19 . 1 1 47 47 LYS C C 47 178.100 178.100 175.737 2.363 18868 6367 1 19 . 1 1 47 47 LYS CA C 47 56.000 56.000 56.046 -0.046 18868 6368 1 19 . 1 1 47 47 LYS CB C 47 33.400 33.400 33.736 -0.336 18868 6369 1 19 . 1 1 47 47 LYS H H 47 7.709 7.709 7.752 -0.043 18868 6370 1 19 . 1 1 48 48 LEU N N 48 120.169 120.169 120.927 -0.758 18868 6371 1 19 . 1 1 48 48 LEU C C 48 178.009 178.009 176.545 1.464 18868 6372 1 19 . 1 1 48 48 LEU CA C 48 55.000 55.000 54.084 0.916 18868 6373 1 19 . 1 1 48 48 LEU H H 48 7.139 7.139 7.273 -0.134 18868 6374 1 19 . 1 1 49 49 GLN N N 49 121.739 121.739 119.574 2.165 18868 6375 1 19 . 1 1 49 49 GLN C C 49 179.051 179.051 176.664 2.387 18868 6376 1 19 . 1 1 49 49 GLN CA C 49 55.800 55.800 55.502 0.298 18868 6377 1 19 . 1 1 49 49 GLN H H 49 7.917 7.917 8.257 -0.340 18868 6378 1 19 . 1 1 50 50 ASP N N 50 119.121 119.121 123.957 -4.836 18868 6379 1 19 . 1 1 50 50 ASP C C 50 178.335 178.335 177.711 0.624 18868 6380 1 19 . 1 1 50 50 ASP CA C 50 59.300 59.300 57.958 1.342 18868 6381 1 19 . 1 1 50 50 ASP H H 50 7.597 7.597 8.967 -1.370 18868 6382 1 19 . 1 1 51 51 ALA N N 51 116.624 116.624 121.901 -5.277 18868 6383 1 19 . 1 1 51 51 ALA C C 51 181.587 181.587 179.718 1.869 18868 6384 1 19 . 1 1 51 51 ALA CA C 51 57.700 57.700 55.190 2.510 18868 6385 1 19 . 1 1 51 51 ALA H H 51 7.560 7.560 8.493 -0.933 18868 6386 1 19 . 1 1 52 52 GLU N N 52 118.931 118.931 118.979 -0.048 18868 6387 1 19 . 1 1 52 52 GLU C C 52 180.495 180.495 179.124 1.371 18868 6388 1 19 . 1 1 52 52 GLU CA C 52 58.900 58.900 59.069 -0.169 18868 6389 1 19 . 1 1 52 52 GLU H H 52 8.511 8.511 8.350 0.161 18868 6390 1 19 . 1 1 53 53 ILE N N 53 120.400 120.400 120.261 0.139 18868 6391 1 19 . 1 1 53 53 ILE CA C 53 59.000 59.000 65.172 -6.173 18868 6392 1 19 . 1 1 53 53 ILE H H 53 7.905 7.905 8.324 -0.419 18868 6393 1 19 . 1 1 54 54 ALA C C 54 181.477 181.477 179.237 2.240 18868 6394 1 19 . 1 1 54 54 ALA CA C 54 55.600 55.600 55.337 0.263 18868 6395 1 19 . 1 1 55 55 ARG N N 55 118.315 118.315 119.277 -0.962 18868 6396 1 19 . 1 1 55 55 ARG C C 55 179.468 179.468 178.459 1.009 18868 6397 1 19 . 1 1 55 55 ARG CA C 55 59.100 59.100 59.020 0.080 18868 6398 1 19 . 1 1 55 55 ARG H H 55 7.448 7.448 7.968 -0.520 18868 6399 1 19 . 1 1 56 56 LEU N N 56 120.310 120.310 121.200 -0.890 18868 6400 1 19 . 1 1 56 56 LEU C C 56 179.984 179.984 178.790 1.194 18868 6401 1 19 . 1 1 56 56 LEU CA C 56 58.000 58.000 58.007 -0.007 18868 6402 1 19 . 1 1 56 56 LEU H H 56 7.672 7.672 8.312 -0.640 18868 6403 1 19 . 1 1 57 57 MET N N 57 115.780 115.780 116.306 -0.526 18868 6404 1 19 . 1 1 57 57 MET C C 57 179.083 179.083 179.095 -0.012 18868 6405 1 19 . 1 1 57 57 MET H H 57 8.354 8.354 8.409 -0.055 18868 6406 1 19 . 1 1 58 58 GLU N N 58 117.826 117.826 121.222 -3.396 18868 6407 1 19 . 1 1 58 58 GLU C C 58 179.161 179.161 178.067 1.094 18868 6408 1 19 . 1 1 58 58 GLU CA C 58 59.300 59.300 58.451 0.849 18868 6409 1 19 . 1 1 58 58 GLU CB C 58 31.100 31.100 29.266 1.834 18868 6410 1 19 . 1 1 58 58 GLU H H 58 7.620 7.620 8.063 -0.443 18868 6411 1 19 . 1 1 59 59 ASP N N 59 117.801 117.801 120.517 -2.716 18868 6412 1 19 . 1 1 59 59 ASP CA C 59 57.200 57.200 56.629 0.571 18868 6413 1 19 . 1 1 59 59 ASP H H 59 8.693 8.693 8.031 0.662 18868 6414 1 19 . 1 1 60 60 LEU N N 60 117.370 117.370 118.610 -1.240 18868 6415 1 19 . 1 1 60 60 LEU C C 60 179.216 179.216 176.515 2.701 18868 6416 1 19 . 1 1 60 60 LEU CA C 60 56.200 56.200 57.165 -0.965 18868 6417 1 19 . 1 1 60 60 LEU H H 60 8.159 8.159 7.726 0.433 18868 6418 1 19 . 1 1 61 61 ASP N N 61 117.835 117.835 115.998 1.837 18868 6419 1 19 . 1 1 61 61 ASP C C 61 178.473 178.473 175.805 2.668 18868 6420 1 19 . 1 1 61 61 ASP CA C 61 52.800 52.800 54.779 -1.979 18868 6421 1 19 . 1 1 61 61 ASP CB C 61 39.100 39.100 42.012 -2.912 18868 6422 1 19 . 1 1 61 61 ASP H H 61 7.559 7.559 7.464 0.095 18868 6423 1 19 . 1 1 62 62 ARG N N 62 125.783 125.783 122.702 3.081 18868 6424 1 19 . 1 1 62 62 ARG C C 62 178.519 178.519 177.343 1.176 18868 6425 1 19 . 1 1 62 62 ARG CA C 62 58.500 58.500 55.662 2.838 18868 6426 1 19 . 1 1 62 62 ARG CB C 62 30.200 30.200 31.551 -1.351 18868 6427 1 19 . 1 1 62 62 ARG H H 62 7.839 7.839 9.487 -1.648 18868 6428 1 19 . 1 1 63 63 ASN N N 63 112.348 112.348 118.134 -5.786 18868 6429 1 19 . 1 1 63 63 ASN C C 63 175.597 175.597 175.191 0.406 18868 6430 1 19 . 1 1 63 63 ASN CA C 63 51.900 51.900 53.794 -1.894 18868 6431 1 19 . 1 1 63 63 ASN CB C 63 36.700 36.700 39.422 -2.722 18868 6432 1 19 . 1 1 63 63 ASN H H 63 7.899 7.899 8.058 -0.159 18868 6433 1 19 . 1 1 64 64 LYS N N 64 114.407 114.407 118.343 -3.936 18868 6434 1 19 . 1 1 64 64 LYS C C 64 176.731 176.731 175.231 1.500 18868 6435 1 19 . 1 1 64 64 LYS CA C 64 59.500 59.500 57.213 2.287 18868 6436 1 19 . 1 1 64 64 LYS H H 64 7.485 7.485 8.563 -1.078 18868 6437 1 19 . 1 1 65 65 ASP N N 65 117.880 117.880 119.033 -1.153 18868 6438 1 19 . 1 1 65 65 ASP C C 65 177.981 177.981 176.393 1.588 18868 6439 1 19 . 1 1 65 65 ASP CA C 65 52.900 52.900 53.954 -1.054 18868 6440 1 19 . 1 1 65 65 ASP H H 65 8.184 8.184 8.371 -0.187 18868 6441 1 19 . 1 1 66 66 GLN N N 66 114.037 114.037 114.137 -0.100 18868 6442 1 19 . 1 1 66 66 GLN C C 66 175.374 175.374 174.615 0.759 18868 6443 1 19 . 1 1 66 66 GLN CA C 66 57.900 57.900 57.967 -0.067 18868 6444 1 19 . 1 1 66 66 GLN CB C 66 26.200 26.200 26.998 -0.798 18868 6445 1 19 . 1 1 66 66 GLN H H 66 9.917 9.917 8.659 1.258 18868 6446 1 19 . 1 1 67 67 GLU N N 67 117.611 117.611 118.763 -1.152 18868 6447 1 19 . 1 1 67 67 GLU C C 67 176.826 176.826 175.664 1.162 18868 6448 1 19 . 1 1 67 67 GLU CA C 67 54.000 54.000 55.233 -1.234 18868 6449 1 19 . 1 1 67 67 GLU CB C 67 33.100 33.100 31.385 1.715 18868 6450 1 19 . 1 1 67 67 GLU H H 67 7.800 7.800 8.469 -0.669 18868 6451 1 19 . 1 1 68 68 VAL N N 68 126.064 126.064 125.610 0.454 18868 6452 1 19 . 1 1 68 68 VAL C C 68 177.398 177.398 175.736 1.662 18868 6453 1 19 . 1 1 68 68 VAL CA C 68 61.100 61.100 63.804 -2.704 18868 6454 1 19 . 1 1 68 68 VAL CB C 68 33.300 33.300 32.136 1.164 18868 6455 1 19 . 1 1 68 68 VAL H H 68 9.656 9.656 8.604 1.052 18868 6456 1 19 . 1 1 69 69 ASN N N 69 127.002 127.002 125.925 1.077 18868 6457 1 19 . 1 1 69 69 ASN C C 69 175.438 175.438 175.823 -0.385 18868 6458 1 19 . 1 1 69 69 ASN CA C 69 51.200 51.200 51.778 -0.578 18868 6459 1 19 . 1 1 69 69 ASN H H 69 9.036 9.036 9.536 -0.500 18868 6460 1 19 . 1 1 70 70 PHE N N 70 119.437 119.437 119.880 -0.443 18868 6461 1 19 . 1 1 70 70 PHE C C 70 177.652 177.652 177.293 0.359 18868 6462 1 19 . 1 1 70 70 PHE CA C 70 63.300 63.300 61.923 1.377 18868 6463 1 19 . 1 1 70 70 PHE H H 70 9.055 9.055 9.288 -0.233 18868 6464 1 19 . 1 1 71 71 GLN N N 71 117.576 117.576 117.406 0.170 18868 6465 1 19 . 1 1 71 71 GLN C C 71 180.488 180.488 178.341 2.147 18868 6466 1 19 . 1 1 71 71 GLN CA C 71 60.100 60.100 59.689 0.411 18868 6467 1 19 . 1 1 71 71 GLN CB C 71 27.900 27.900 28.113 -0.213 18868 6468 1 19 . 1 1 71 71 GLN H H 71 8.273 8.273 8.772 -0.499 18868 6469 1 19 . 1 1 72 72 GLU N N 72 119.971 119.971 119.902 0.069 18868 6470 1 19 . 1 1 72 72 GLU C C 72 179.001 179.001 179.062 -0.061 18868 6471 1 19 . 1 1 72 72 GLU CA C 72 58.700 58.700 59.263 -0.563 18868 6472 1 19 . 1 1 72 72 GLU H H 72 8.631 8.631 7.702 0.929 18868 6473 1 19 . 1 1 73 73 TYR N N 73 120.475 120.475 121.232 -0.757 18868 6474 1 19 . 1 1 73 73 TYR C C 73 180.040 180.040 177.239 2.801 18868 6475 1 19 . 1 1 73 73 TYR H H 73 7.721 7.721 8.070 -0.349 18868 6476 1 19 . 1 1 74 74 VAL N N 74 119.604 119.604 118.428 1.176 18868 6477 1 19 . 1 1 74 74 VAL C C 74 177.821 177.821 177.751 0.070 18868 6478 1 19 . 1 1 74 74 VAL CA C 74 60.200 60.200 66.433 -6.233 18868 6479 1 19 . 1 1 74 74 VAL CB C 74 33.800 33.800 31.145 2.655 18868 6480 1 19 . 1 1 74 74 VAL H H 74 8.147 8.147 8.361 -0.214 18868 6481 1 19 . 1 1 75 75 THR N N 75 124.638 124.638 116.383 8.255 18868 6482 1 19 . 1 1 75 75 THR C C 75 179.971 179.971 176.300 3.671 18868 6483 1 19 . 1 1 75 75 THR CA C 75 60.600 60.600 66.366 -5.766 18868 6484 1 19 . 1 1 75 75 THR H H 75 7.714 7.714 7.569 0.145 18868 6485 1 19 . 1 1 76 76 PHE N N 76 116.963 116.963 122.986 -6.023 18868 6486 1 19 . 1 1 76 76 PHE C C 76 177.695 177.695 176.405 1.290 18868 6487 1 19 . 1 1 76 76 PHE CA C 76 60.000 60.000 60.368 -0.368 18868 6488 1 19 . 1 1 76 76 PHE H H 76 7.864 7.864 7.230 0.634 18868 6489 1 19 . 1 1 77 77 LEU N N 77 117.568 117.568 118.874 -1.306 18868 6490 1 19 . 1 1 77 77 LEU C C 77 180.668 180.668 178.715 1.953 18868 6491 1 19 . 1 1 77 77 LEU CA C 77 57.800 57.800 57.226 0.574 18868 6492 1 19 . 1 1 77 77 LEU H H 77 7.913 7.913 7.541 0.372 18868 6493 1 19 . 1 1 78 78 GLY N N 78 104.257 104.257 106.326 -2.069 18868 6494 1 19 . 1 1 78 78 GLY C C 78 176.062 176.062 175.333 0.729 18868 6495 1 19 . 1 1 78 78 GLY CA C 78 47.600 47.600 47.035 0.565 18868 6496 1 19 . 1 1 78 78 GLY H H 78 8.057 8.057 8.350 -0.293 18868 6497 1 19 . 1 1 79 79 ALA N N 79 124.122 124.122 124.840 -0.718 18868 6498 1 19 . 1 1 79 79 ALA C C 79 182.313 182.313 179.531 2.782 18868 6499 1 19 . 1 1 79 79 ALA CA C 79 55.100 55.100 54.689 0.411 18868 6500 1 19 . 1 1 79 79 ALA H H 79 7.804 7.804 7.504 0.300 18868 6501 1 19 . 1 1 80 80 LEU N N 80 117.976 117.976 119.031 -1.055 18868 6502 1 19 . 1 1 80 80 LEU C C 80 178.389 178.389 179.080 -0.691 18868 6503 1 19 . 1 1 80 80 LEU CA C 80 57.400 57.400 57.547 -0.147 18868 6504 1 19 . 1 1 80 80 LEU H H 80 8.045 8.045 7.553 0.492 18868 6505 1 19 . 1 1 81 81 ALA N N 81 121.199 121.199 121.907 -0.708 18868 6506 1 19 . 1 1 81 81 ALA C C 81 181.617 181.617 179.657 1.960 18868 6507 1 19 . 1 1 81 81 ALA CA C 81 55.300 55.300 55.084 0.216 18868 6508 1 19 . 1 1 81 81 ALA H H 81 8.152 8.152 7.879 0.273 18868 6509 1 19 . 1 1 82 82 LEU N N 82 117.392 117.392 119.659 -2.267 18868 6510 1 19 . 1 1 82 82 LEU C C 82 180.828 180.828 179.086 1.742 18868 6511 1 19 . 1 1 82 82 LEU CA C 82 58.800 58.800 57.944 0.856 18868 6512 1 19 . 1 1 82 82 LEU H H 82 7.238 7.238 7.662 -0.424 18868 6513 1 19 . 1 1 83 83 ILE N N 83 124.342 124.342 119.187 5.155 18868 6514 1 19 . 1 1 83 83 ILE C C 83 177.495 177.495 178.419 -0.924 18868 6515 1 19 . 1 1 83 83 ILE CA C 83 60.500 60.500 65.623 -5.123 18868 6516 1 19 . 1 1 83 83 ILE H H 83 8.726 8.726 7.822 0.904 18868 6517 1 19 . 1 1 84 84 TYR N N 84 120.026 120.026 119.457 0.569 18868 6518 1 19 . 1 1 84 84 TYR C C 84 177.236 177.236 177.576 -0.340 18868 6519 1 19 . 1 1 84 84 TYR CA C 84 56.900 56.900 62.239 -5.339 18868 6520 1 19 . 1 1 84 84 TYR H H 84 8.241 8.241 8.120 0.121 18868 6521 1 19 . 1 1 85 85 ASN N N 85 117.125 117.125 115.956 1.169 18868 6522 1 19 . 1 1 85 85 ASN C C 85 175.508 175.508 178.331 -2.823 18868 6523 1 19 . 1 1 85 85 ASN CA C 85 56.600 56.600 55.468 1.132 18868 6524 1 19 . 1 1 85 85 ASN H H 85 7.681 7.681 8.049 -0.368 18868 6525 1 19 . 1 1 86 86 GLU N N 86 119.756 119.756 120.757 -1.001 18868 6526 1 19 . 1 1 86 86 GLU C C 86 177.821 177.821 178.693 -0.872 18868 6527 1 19 . 1 1 86 86 GLU H H 86 8.790 8.790 8.599 0.191 18868 6528 1 19 . 1 1 87 87 ALA N N 87 112.780 112.780 120.688 -7.908 18868 6529 1 19 . 1 1 87 87 ALA H H 87 8.241 8.241 7.568 0.673 18868 6530 1 19 . 1 1 88 88 LEU N N 88 118.627 118.627 117.711 0.916 18868 6531 1 19 . 1 1 88 88 LEU CA C 88 57.900 57.900 54.514 3.386 18868 6532 1 19 . 1 1 88 88 LEU H H 88 8.384 8.384 7.551 0.833 18868 6533 1 19 . 1 1 89 89 LYS N N 89 118.552 118.552 121.072 -2.520 18868 6534 1 19 . 1 1 89 89 LYS C C 89 177.332 177.332 176.963 0.369 18868 6535 1 19 . 1 1 89 89 LYS CA C 89 56.900 56.900 57.398 -0.498 18868 6536 1 19 . 1 1 89 89 LYS H H 89 7.854 7.854 7.691 0.163 18868 6537 1 20 . 1 1 3 3 SER N N 3 118.627 118.627 116.819 1.808 18868 6538 1 20 . 1 1 3 3 SER H H 3 8.384 8.384 8.554 -0.170 18868 6539 1 20 . 1 1 4 4 PRO C C 4 180.814 180.814 178.785 2.029 18868 6540 1 20 . 1 1 4 4 PRO CA C 4 66.500 66.500 65.913 0.587 18868 6541 1 20 . 1 1 5 5 LEU N N 5 119.501 119.501 118.468 1.033 18868 6542 1 20 . 1 1 5 5 LEU C C 5 179.272 179.272 178.406 0.866 18868 6543 1 20 . 1 1 5 5 LEU CA C 5 58.600 58.600 58.227 0.373 18868 6544 1 20 . 1 1 5 5 LEU H H 5 9.386 9.386 8.079 1.307 18868 6545 1 20 . 1 1 6 6 ASP N N 6 119.191 119.191 118.251 0.940 18868 6546 1 20 . 1 1 6 6 ASP C C 6 182.313 182.313 179.114 3.199 18868 6547 1 20 . 1 1 6 6 ASP CA C 6 58.000 58.000 57.716 0.284 18868 6548 1 20 . 1 1 6 6 ASP H H 6 7.912 7.912 8.422 -0.510 18868 6549 1 20 . 1 1 7 7 GLN N N 7 117.979 117.979 118.772 -0.793 18868 6550 1 20 . 1 1 7 7 GLN C C 7 179.998 179.998 178.465 1.533 18868 6551 1 20 . 1 1 7 7 GLN CA C 7 58.900 58.900 58.525 0.375 18868 6552 1 20 . 1 1 7 7 GLN H H 7 8.065 8.065 8.450 -0.385 18868 6553 1 20 . 1 1 8 8 ALA N N 8 124.008 124.008 123.215 0.793 18868 6554 1 20 . 1 1 8 8 ALA CA C 8 55.500 55.500 55.196 0.304 18868 6555 1 20 . 1 1 8 8 ALA H H 8 8.159 8.159 7.846 0.313 18868 6556 1 20 . 1 1 9 9 ILE C C 9 179.258 179.258 178.402 0.856 18868 6557 1 20 . 1 1 9 9 ILE CA C 9 64.900 64.900 63.077 1.823 18868 6558 1 20 . 1 1 10 10 GLY N N 10 105.447 105.447 108.171 -2.724 18868 6559 1 20 . 1 1 10 10 GLY C C 10 177.984 177.984 176.265 1.719 18868 6560 1 20 . 1 1 10 10 GLY CA C 10 47.300 47.300 47.200 0.100 18868 6561 1 20 . 1 1 10 10 GLY H H 10 8.062 8.062 8.519 -0.457 18868 6562 1 20 . 1 1 11 11 LEU N N 11 124.755 124.755 123.156 1.599 18868 6563 1 20 . 1 1 11 11 LEU C C 11 178.346 178.346 178.512 -0.166 18868 6564 1 20 . 1 1 11 11 LEU CA C 11 58.000 58.000 57.788 0.212 18868 6565 1 20 . 1 1 11 11 LEU H H 11 8.067 8.067 7.961 0.106 18868 6566 1 20 . 1 1 12 12 LEU N N 12 121.609 121.609 119.373 2.236 18868 6567 1 20 . 1 1 12 12 LEU C C 12 182.560 182.560 179.547 3.013 18868 6568 1 20 . 1 1 12 12 LEU CA C 12 59.000 59.000 58.436 0.564 18868 6569 1 20 . 1 1 12 12 LEU H H 12 7.997 7.997 8.017 -0.020 18868 6570 1 20 . 1 1 13 13 VAL N N 13 119.951 119.951 118.678 1.273 18868 6571 1 20 . 1 1 13 13 VAL C C 13 178.016 178.016 177.899 0.117 18868 6572 1 20 . 1 1 13 13 VAL CA C 13 67.100 67.100 66.787 0.313 18868 6573 1 20 . 1 1 13 13 VAL H H 13 8.087 8.087 8.153 -0.066 18868 6574 1 20 . 1 1 14 14 ALA N N 14 122.867 122.867 123.014 -0.147 18868 6575 1 20 . 1 1 14 14 ALA C C 14 175.380 175.380 179.480 -4.100 18868 6576 1 20 . 1 1 14 14 ALA CA C 14 55.600 55.600 55.320 0.280 18868 6577 1 20 . 1 1 14 14 ALA H H 14 8.363 8.363 7.838 0.525 18868 6578 1 20 . 1 1 15 15 ILE N N 15 118.496 118.496 118.311 0.185 18868 6579 1 20 . 1 1 15 15 ILE C C 15 178.058 178.058 177.814 0.244 18868 6580 1 20 . 1 1 15 15 ILE CA C 15 64.800 64.800 64.881 -0.081 18868 6581 1 20 . 1 1 15 15 ILE H H 15 8.787 8.787 7.931 0.856 18868 6582 1 20 . 1 1 16 16 PHE N N 16 119.259 119.259 120.793 -1.534 18868 6583 1 20 . 1 1 16 16 PHE H H 16 7.171 7.171 7.960 -0.789 18868 6584 1 20 . 1 1 17 17 HIS C C 17 178.660 178.660 177.028 1.632 18868 6585 1 20 . 1 1 17 17 HIS CA C 17 54.800 54.800 56.096 -1.296 18868 6586 1 20 . 1 1 17 17 HIS CB C 17 30.000 30.000 29.147 0.853 18868 6587 1 20 . 1 1 18 18 LYS N N 18 122.924 122.924 120.986 1.938 18868 6588 1 20 . 1 1 18 18 LYS C C 18 180.221 180.221 176.934 3.287 18868 6589 1 20 . 1 1 18 18 LYS CA C 18 58.800 58.800 58.391 0.409 18868 6590 1 20 . 1 1 18 18 LYS CB C 18 40.200 40.200 32.534 7.666 18868 6591 1 20 . 1 1 18 18 LYS H H 18 8.880 8.880 7.520 1.360 18868 6592 1 20 . 1 1 19 19 TYR N N 19 120.227 120.227 115.669 4.558 18868 6593 1 20 . 1 1 19 19 TYR C C 19 178.435 178.435 175.220 3.215 18868 6594 1 20 . 1 1 19 19 TYR CA C 19 55.300 55.300 58.831 -3.531 18868 6595 1 20 . 1 1 19 19 TYR H H 19 8.879 8.879 7.503 1.376 18868 6596 1 20 . 1 1 20 20 SER N N 20 119.760 119.760 114.916 4.844 18868 6597 1 20 . 1 1 20 20 SER C C 20 178.376 178.376 175.537 2.839 18868 6598 1 20 . 1 1 20 20 SER CA C 20 56.900 56.900 59.179 -2.279 18868 6599 1 20 . 1 1 20 20 SER CB C 20 61.700 61.700 62.540 -0.840 18868 6600 1 20 . 1 1 20 20 SER H H 20 7.557 7.557 7.411 0.146 18868 6601 1 20 . 1 1 21 21 GLY N N 21 111.202 111.202 115.134 -3.932 18868 6602 1 20 . 1 1 21 21 GLY C C 21 174.862 174.862 174.015 0.847 18868 6603 1 20 . 1 1 21 21 GLY CA C 21 45.600 45.600 44.927 0.673 18868 6604 1 20 . 1 1 21 21 GLY H H 21 7.696 7.696 8.446 -0.750 18868 6605 1 20 . 1 1 22 22 ARG N N 22 122.200 122.200 120.443 1.757 18868 6606 1 20 . 1 1 22 22 ARG C C 22 178.336 178.336 175.415 2.921 18868 6607 1 20 . 1 1 22 22 ARG CA C 22 59.500 59.500 57.051 2.449 18868 6608 1 20 . 1 1 22 22 ARG CB C 22 30.500 30.500 31.762 -1.262 18868 6609 1 20 . 1 1 22 22 ARG H H 22 7.311 7.311 8.595 -1.284 18868 6610 1 20 . 1 1 23 23 GLU N N 23 115.984 115.984 116.385 -0.401 18868 6611 1 20 . 1 1 23 23 GLU C C 23 177.129 177.129 175.591 1.538 18868 6612 1 20 . 1 1 23 23 GLU CA C 23 54.300 54.300 55.777 -1.477 18868 6613 1 20 . 1 1 23 23 GLU CB C 23 33.200 33.200 32.410 0.790 18868 6614 1 20 . 1 1 23 23 GLU H H 23 9.488 9.488 8.374 1.114 18868 6615 1 20 . 1 1 24 24 GLY N N 24 114.031 114.031 113.962 0.069 18868 6616 1 20 . 1 1 24 24 GLY C C 24 174.499 174.499 173.462 1.037 18868 6617 1 20 . 1 1 24 24 GLY CA C 24 45.900 45.900 45.489 0.412 18868 6618 1 20 . 1 1 24 24 GLY H H 24 9.048 9.048 8.684 0.364 18868 6619 1 20 . 1 1 25 25 ASP N N 25 125.634 125.634 120.768 4.866 18868 6620 1 20 . 1 1 25 25 ASP C C 25 177.998 177.998 174.901 3.097 18868 6621 1 20 . 1 1 25 25 ASP CA C 25 55.000 55.000 53.505 1.495 18868 6622 1 20 . 1 1 25 25 ASP H H 25 8.249 8.249 7.787 0.462 18868 6623 1 20 . 1 1 26 26 LYS N N 26 121.469 121.469 118.482 2.987 18868 6624 1 20 . 1 1 26 26 LYS CA C 26 57.600 57.600 56.329 1.271 18868 6625 1 20 . 1 1 26 26 LYS CB C 26 37.800 37.800 33.570 4.230 18868 6626 1 20 . 1 1 26 26 LYS H H 26 9.043 9.043 8.539 0.504 18868 6627 1 20 . 1 1 27 27 HIS N N 27 112.780 112.780 115.827 -3.047 18868 6628 1 20 . 1 1 27 27 HIS C C 27 175.067 175.067 174.083 0.984 18868 6629 1 20 . 1 1 27 27 HIS CA C 27 55.300 55.300 56.760 -1.460 18868 6630 1 20 . 1 1 27 27 HIS CB C 27 30.300 30.300 30.933 -0.634 18868 6631 1 20 . 1 1 27 27 HIS H H 27 8.241 8.241 8.620 -0.379 18868 6632 1 20 . 1 1 28 28 THR N N 28 106.447 106.447 110.729 -4.282 18868 6633 1 20 . 1 1 28 28 THR C C 28 174.469 174.469 172.770 1.699 18868 6634 1 20 . 1 1 28 28 THR CA C 28 60.000 60.000 60.535 -0.535 18868 6635 1 20 . 1 1 28 28 THR H H 28 7.248 7.248 7.455 -0.207 18868 6636 1 20 . 1 1 29 29 LEU N N 29 125.037 125.037 122.498 2.539 18868 6637 1 20 . 1 1 29 29 LEU C C 29 180.751 180.751 176.322 4.429 18868 6638 1 20 . 1 1 29 29 LEU CA C 29 55.200 55.200 53.588 1.612 18868 6639 1 20 . 1 1 29 29 LEU CB C 29 41.800 41.800 44.629 -2.829 18868 6640 1 20 . 1 1 29 29 LEU H H 29 9.421 9.421 9.035 0.386 18868 6641 1 20 . 1 1 30 30 SER N N 30 131.373 131.373 120.089 11.284 18868 6642 1 20 . 1 1 30 30 SER C C 30 177.946 177.946 175.936 2.010 18868 6643 1 20 . 1 1 30 30 SER CA C 30 57.900 57.900 57.764 0.136 18868 6644 1 20 . 1 1 30 30 SER H H 30 9.312 9.312 9.409 -0.097 18868 6645 1 20 . 1 1 31 31 LYS N N 31 117.689 117.689 118.273 -0.584 18868 6646 1 20 . 1 1 31 31 LYS CA C 31 57.800 57.800 57.118 0.682 18868 6647 1 20 . 1 1 31 31 LYS H H 31 9.659 9.659 8.812 0.847 18868 6648 1 20 . 1 1 32 32 LYS C C 32 180.677 180.677 177.793 2.884 18868 6649 1 20 . 1 1 32 32 LYS CA C 32 59.800 59.800 58.149 1.651 18868 6650 1 20 . 1 1 33 33 GLU N N 33 120.336 120.336 120.916 -0.580 18868 6651 1 20 . 1 1 33 33 GLU C C 33 179.654 179.654 178.921 0.733 18868 6652 1 20 . 1 1 33 33 GLU CA C 33 59.300 59.300 59.852 -0.552 18868 6653 1 20 . 1 1 33 33 GLU H H 33 7.608 7.608 7.835 -0.227 18868 6654 1 20 . 1 1 34 34 LEU N N 34 117.303 117.303 120.543 -3.240 18868 6655 1 20 . 1 1 34 34 LEU C C 34 179.420 179.420 177.980 1.440 18868 6656 1 20 . 1 1 34 34 LEU CA C 34 58.200 58.200 58.184 0.016 18868 6657 1 20 . 1 1 34 34 LEU H H 34 7.659 7.659 8.033 -0.374 18868 6658 1 20 . 1 1 35 35 LYS N N 35 116.520 116.520 119.384 -2.864 18868 6659 1 20 . 1 1 35 35 LYS CA C 35 60.700 60.700 59.910 0.790 18868 6660 1 20 . 1 1 35 35 LYS CB C 35 32.000 32.000 31.737 0.263 18868 6661 1 20 . 1 1 35 35 LYS H H 35 7.731 7.731 8.217 -0.486 18868 6662 1 20 . 1 1 36 36 GLU N N 36 118.365 118.365 118.858 -0.493 18868 6663 1 20 . 1 1 36 36 GLU C C 36 177.868 177.868 178.732 -0.864 18868 6664 1 20 . 1 1 36 36 GLU CA C 36 59.700 59.700 59.030 0.670 18868 6665 1 20 . 1 1 36 36 GLU CB C 36 29.300 29.300 29.765 -0.465 18868 6666 1 20 . 1 1 36 36 GLU H H 36 7.871 7.871 7.670 0.201 18868 6667 1 20 . 1 1 37 37 LEU N N 37 121.068 121.068 120.994 0.074 18868 6668 1 20 . 1 1 37 37 LEU C C 37 176.731 176.731 178.545 -1.814 18868 6669 1 20 . 1 1 37 37 LEU CA C 37 59.500 59.500 57.756 1.744 18868 6670 1 20 . 1 1 37 37 LEU CB C 37 42.700 42.700 41.643 1.057 18868 6671 1 20 . 1 1 37 37 LEU H H 37 7.513 7.513 7.443 0.070 18868 6672 1 20 . 1 1 38 38 ILE N N 38 117.867 117.867 118.134 -0.267 18868 6673 1 20 . 1 1 38 38 ILE C C 38 178.658 178.658 178.352 0.306 18868 6674 1 20 . 1 1 38 38 ILE CA C 38 65.300 65.300 65.169 0.131 18868 6675 1 20 . 1 1 38 38 ILE H H 38 8.206 8.206 8.038 0.168 18868 6676 1 20 . 1 1 39 39 GLN N N 39 114.147 114.147 116.161 -2.014 18868 6677 1 20 . 1 1 39 39 GLN C C 39 180.003 180.003 177.207 2.796 18868 6678 1 20 . 1 1 39 39 GLN CA C 39 59.500 59.500 58.114 1.386 18868 6679 1 20 . 1 1 39 39 GLN H H 39 8.238 8.238 7.922 0.316 18868 6680 1 20 . 1 1 40 40 LYS N N 40 115.051 115.051 118.966 -3.915 18868 6681 1 20 . 1 1 40 40 LYS C C 40 180.483 180.483 177.777 2.706 18868 6682 1 20 . 1 1 40 40 LYS CA C 40 57.500 57.500 57.779 -0.279 18868 6683 1 20 . 1 1 40 40 LYS H H 40 8.298 8.298 7.543 0.755 18868 6684 1 20 . 1 1 41 41 GLU N N 41 112.448 112.448 117.473 -5.025 18868 6685 1 20 . 1 1 41 41 GLU C C 41 178.252 178.252 176.956 1.296 18868 6686 1 20 . 1 1 41 41 GLU CA C 41 55.700 55.700 56.837 -1.137 18868 6687 1 20 . 1 1 41 41 GLU H H 41 8.328 8.328 8.292 0.036 18868 6688 1 20 . 1 1 42 42 LEU N N 42 118.693 118.693 121.543 -2.850 18868 6689 1 20 . 1 1 42 42 LEU C C 42 179.377 179.377 177.213 2.164 18868 6690 1 20 . 1 1 42 42 LEU CA C 42 53.300 53.300 54.123 -0.823 18868 6691 1 20 . 1 1 42 42 LEU H H 42 7.361 7.361 7.349 0.012 18868 6692 1 20 . 1 1 43 43 THR N N 43 125.535 125.535 122.389 3.146 18868 6693 1 20 . 1 1 43 43 THR C C 43 180.403 180.403 176.503 3.900 18868 6694 1 20 . 1 1 43 43 THR CA C 43 67.300 67.300 65.870 1.430 18868 6695 1 20 . 1 1 43 43 THR H H 43 9.926 9.926 8.790 1.136 18868 6696 1 20 . 1 1 44 44 ILE N N 44 116.467 116.467 121.029 -4.562 18868 6697 1 20 . 1 1 44 44 ILE C C 44 178.107 178.107 177.538 0.569 18868 6698 1 20 . 1 1 44 44 ILE CA C 44 62.400 62.400 61.834 0.566 18868 6699 1 20 . 1 1 44 44 ILE CB C 44 38.300 38.300 37.816 0.484 18868 6700 1 20 . 1 1 44 44 ILE H H 44 8.214 8.214 8.138 0.076 18868 6701 1 20 . 1 1 45 45 GLY N N 45 108.241 108.241 108.267 -0.026 18868 6702 1 20 . 1 1 45 45 GLY C C 45 176.355 176.355 176.377 -0.022 18868 6703 1 20 . 1 1 45 45 GLY CA C 45 47.400 47.400 47.177 0.223 18868 6704 1 20 . 1 1 45 45 GLY H H 45 7.750 7.750 8.811 -1.061 18868 6705 1 20 . 1 1 46 46 SER N N 46 113.635 113.635 115.738 -2.103 18868 6706 1 20 . 1 1 46 46 SER C C 46 176.007 176.007 175.031 0.976 18868 6707 1 20 . 1 1 46 46 SER CA C 46 60.100 60.100 60.397 -0.297 18868 6708 1 20 . 1 1 46 46 SER H H 46 7.847 7.847 7.885 -0.038 18868 6709 1 20 . 1 1 47 47 LYS N N 47 119.437 119.437 119.426 0.011 18868 6710 1 20 . 1 1 47 47 LYS C C 47 178.100 178.100 175.670 2.430 18868 6711 1 20 . 1 1 47 47 LYS CA C 47 56.000 56.000 55.802 0.198 18868 6712 1 20 . 1 1 47 47 LYS CB C 47 33.400 33.400 33.422 -0.022 18868 6713 1 20 . 1 1 47 47 LYS H H 47 7.709 7.709 7.656 0.053 18868 6714 1 20 . 1 1 48 48 LEU N N 48 120.169 120.169 121.414 -1.245 18868 6715 1 20 . 1 1 48 48 LEU C C 48 178.009 178.009 176.729 1.280 18868 6716 1 20 . 1 1 48 48 LEU CA C 48 55.000 55.000 54.457 0.543 18868 6717 1 20 . 1 1 48 48 LEU H H 48 7.139 7.139 7.247 -0.108 18868 6718 1 20 . 1 1 49 49 GLN N N 49 121.739 121.739 120.640 1.099 18868 6719 1 20 . 1 1 49 49 GLN C C 49 179.051 179.051 176.665 2.386 18868 6720 1 20 . 1 1 49 49 GLN CA C 49 55.800 55.800 56.069 -0.269 18868 6721 1 20 . 1 1 49 49 GLN H H 49 7.917 7.917 8.273 -0.356 18868 6722 1 20 . 1 1 50 50 ASP N N 50 119.121 119.121 123.549 -4.428 18868 6723 1 20 . 1 1 50 50 ASP C C 50 178.335 178.335 177.993 0.342 18868 6724 1 20 . 1 1 50 50 ASP CA C 50 59.300 59.300 58.133 1.167 18868 6725 1 20 . 1 1 50 50 ASP H H 50 7.597 7.597 8.882 -1.285 18868 6726 1 20 . 1 1 51 51 ALA N N 51 116.624 116.624 122.159 -5.535 18868 6727 1 20 . 1 1 51 51 ALA C C 51 181.587 181.587 179.635 1.952 18868 6728 1 20 . 1 1 51 51 ALA CA C 51 57.700 57.700 54.879 2.821 18868 6729 1 20 . 1 1 51 51 ALA H H 51 7.560 7.560 8.278 -0.718 18868 6730 1 20 . 1 1 52 52 GLU N N 52 118.931 118.931 118.893 0.038 18868 6731 1 20 . 1 1 52 52 GLU C C 52 180.495 180.495 179.100 1.395 18868 6732 1 20 . 1 1 52 52 GLU CA C 52 58.900 58.900 59.071 -0.171 18868 6733 1 20 . 1 1 52 52 GLU H H 52 8.511 8.511 8.317 0.194 18868 6734 1 20 . 1 1 53 53 ILE N N 53 120.400 120.400 120.221 0.179 18868 6735 1 20 . 1 1 53 53 ILE CA C 53 59.000 59.000 65.156 -6.156 18868 6736 1 20 . 1 1 53 53 ILE H H 53 7.905 7.905 8.453 -0.548 18868 6737 1 20 . 1 1 54 54 ALA C C 54 181.477 181.477 179.140 2.337 18868 6738 1 20 . 1 1 54 54 ALA CA C 54 55.600 55.600 55.377 0.223 18868 6739 1 20 . 1 1 55 55 ARG N N 55 118.315 118.315 119.213 -0.898 18868 6740 1 20 . 1 1 55 55 ARG C C 55 179.468 179.468 178.396 1.072 18868 6741 1 20 . 1 1 55 55 ARG CA C 55 59.100 59.100 58.978 0.122 18868 6742 1 20 . 1 1 55 55 ARG H H 55 7.448 7.448 7.657 -0.209 18868 6743 1 20 . 1 1 56 56 LEU N N 56 120.310 120.310 121.433 -1.123 18868 6744 1 20 . 1 1 56 56 LEU C C 56 179.984 179.984 178.668 1.316 18868 6745 1 20 . 1 1 56 56 LEU CA C 56 58.000 58.000 58.021 -0.021 18868 6746 1 20 . 1 1 56 56 LEU H H 56 7.672 7.672 8.282 -0.610 18868 6747 1 20 . 1 1 57 57 MET N N 57 115.780 115.780 115.979 -0.199 18868 6748 1 20 . 1 1 57 57 MET C C 57 179.083 179.083 178.314 0.769 18868 6749 1 20 . 1 1 57 57 MET H H 57 8.354 8.354 8.485 -0.131 18868 6750 1 20 . 1 1 58 58 GLU N N 58 117.826 117.826 119.549 -1.723 18868 6751 1 20 . 1 1 58 58 GLU C C 58 179.161 179.161 178.100 1.061 18868 6752 1 20 . 1 1 58 58 GLU CA C 58 59.300 59.300 58.535 0.764 18868 6753 1 20 . 1 1 58 58 GLU CB C 58 31.100 31.100 29.268 1.832 18868 6754 1 20 . 1 1 58 58 GLU H H 58 7.620 7.620 7.582 0.038 18868 6755 1 20 . 1 1 59 59 ASP N N 59 117.801 117.801 121.113 -3.312 18868 6756 1 20 . 1 1 59 59 ASP CA C 59 57.200 57.200 57.410 -0.210 18868 6757 1 20 . 1 1 59 59 ASP H H 59 8.693 8.693 8.291 0.402 18868 6758 1 20 . 1 1 60 60 LEU N N 60 117.370 117.370 118.249 -0.879 18868 6759 1 20 . 1 1 60 60 LEU C C 60 179.216 179.216 177.447 1.769 18868 6760 1 20 . 1 1 60 60 LEU CA C 60 56.200 56.200 57.006 -0.806 18868 6761 1 20 . 1 1 60 60 LEU H H 60 8.159 8.159 8.090 0.069 18868 6762 1 20 . 1 1 61 61 ASP N N 61 117.835 117.835 118.038 -0.203 18868 6763 1 20 . 1 1 61 61 ASP C C 61 178.473 178.473 176.410 2.063 18868 6764 1 20 . 1 1 61 61 ASP CA C 61 52.800 52.800 53.798 -0.998 18868 6765 1 20 . 1 1 61 61 ASP CB C 61 39.100 39.100 39.328 -0.228 18868 6766 1 20 . 1 1 61 61 ASP H H 61 7.559 7.559 8.086 -0.527 18868 6767 1 20 . 1 1 62 62 ARG N N 62 125.783 125.783 123.298 2.485 18868 6768 1 20 . 1 1 62 62 ARG C C 62 178.519 178.519 177.687 0.832 18868 6769 1 20 . 1 1 62 62 ARG CA C 62 58.500 58.500 58.038 0.462 18868 6770 1 20 . 1 1 62 62 ARG CB C 62 30.200 30.200 29.877 0.323 18868 6771 1 20 . 1 1 62 62 ARG H H 62 7.839 7.839 8.467 -0.628 18868 6772 1 20 . 1 1 63 63 ASN N N 63 112.348 112.348 116.956 -4.608 18868 6773 1 20 . 1 1 63 63 ASN C C 63 175.597 175.597 175.207 0.390 18868 6774 1 20 . 1 1 63 63 ASN CA C 63 51.900 51.900 53.494 -1.594 18868 6775 1 20 . 1 1 63 63 ASN CB C 63 36.700 36.700 39.261 -2.561 18868 6776 1 20 . 1 1 63 63 ASN H H 63 7.899 7.899 8.003 -0.104 18868 6777 1 20 . 1 1 64 64 LYS N N 64 114.407 114.407 118.900 -4.493 18868 6778 1 20 . 1 1 64 64 LYS C C 64 176.731 176.731 174.837 1.894 18868 6779 1 20 . 1 1 64 64 LYS CA C 64 59.500 59.500 57.150 2.350 18868 6780 1 20 . 1 1 64 64 LYS H H 64 7.485 7.485 8.471 -0.986 18868 6781 1 20 . 1 1 65 65 ASP N N 65 117.880 117.880 119.119 -1.239 18868 6782 1 20 . 1 1 65 65 ASP C C 65 177.981 177.981 176.470 1.511 18868 6783 1 20 . 1 1 65 65 ASP CA C 65 52.900 52.900 54.240 -1.340 18868 6784 1 20 . 1 1 65 65 ASP H H 65 8.184 8.184 8.250 -0.066 18868 6785 1 20 . 1 1 66 66 GLN N N 66 114.037 114.037 114.128 -0.091 18868 6786 1 20 . 1 1 66 66 GLN C C 66 175.374 175.374 174.240 1.134 18868 6787 1 20 . 1 1 66 66 GLN CA C 66 57.900 57.900 57.999 -0.099 18868 6788 1 20 . 1 1 66 66 GLN CB C 66 26.200 26.200 26.383 -0.183 18868 6789 1 20 . 1 1 66 66 GLN H H 66 9.917 9.917 8.319 1.598 18868 6790 1 20 . 1 1 67 67 GLU N N 67 117.611 117.611 117.972 -0.361 18868 6791 1 20 . 1 1 67 67 GLU C C 67 176.826 176.826 176.003 0.823 18868 6792 1 20 . 1 1 67 67 GLU CA C 67 54.000 54.000 54.652 -0.652 18868 6793 1 20 . 1 1 67 67 GLU CB C 67 33.100 33.100 30.934 2.166 18868 6794 1 20 . 1 1 67 67 GLU H H 67 7.800 7.800 8.426 -0.626 18868 6795 1 20 . 1 1 68 68 VAL N N 68 126.064 126.064 127.075 -1.011 18868 6796 1 20 . 1 1 68 68 VAL C C 68 177.398 177.398 175.501 1.897 18868 6797 1 20 . 1 1 68 68 VAL CA C 68 61.100 61.100 63.157 -2.057 18868 6798 1 20 . 1 1 68 68 VAL CB C 68 33.300 33.300 31.421 1.879 18868 6799 1 20 . 1 1 68 68 VAL H H 68 9.656 9.656 8.765 0.891 18868 6800 1 20 . 1 1 69 69 ASN N N 69 127.002 127.002 126.283 0.719 18868 6801 1 20 . 1 1 69 69 ASN C C 69 175.438 175.438 175.722 -0.284 18868 6802 1 20 . 1 1 69 69 ASN CA C 69 51.200 51.200 51.516 -0.315 18868 6803 1 20 . 1 1 69 69 ASN H H 69 9.036 9.036 9.634 -0.598 18868 6804 1 20 . 1 1 70 70 PHE N N 70 119.437 119.437 119.563 -0.126 18868 6805 1 20 . 1 1 70 70 PHE C C 70 177.652 177.652 177.411 0.241 18868 6806 1 20 . 1 1 70 70 PHE CA C 70 63.300 63.300 62.524 0.776 18868 6807 1 20 . 1 1 70 70 PHE H H 70 9.055 9.055 9.294 -0.239 18868 6808 1 20 . 1 1 71 71 GLN N N 71 117.576 117.576 117.187 0.389 18868 6809 1 20 . 1 1 71 71 GLN C C 71 180.488 180.488 178.357 2.131 18868 6810 1 20 . 1 1 71 71 GLN CA C 71 60.100 60.100 59.674 0.426 18868 6811 1 20 . 1 1 71 71 GLN CB C 71 27.900 27.900 28.205 -0.305 18868 6812 1 20 . 1 1 71 71 GLN H H 71 8.273 8.273 8.317 -0.044 18868 6813 1 20 . 1 1 72 72 GLU N N 72 119.971 119.971 119.963 0.008 18868 6814 1 20 . 1 1 72 72 GLU C C 72 179.001 179.001 179.115 -0.114 18868 6815 1 20 . 1 1 72 72 GLU CA C 72 58.700 58.700 59.753 -1.053 18868 6816 1 20 . 1 1 72 72 GLU H H 72 8.631 8.631 7.847 0.784 18868 6817 1 20 . 1 1 73 73 TYR N N 73 120.475 120.475 121.087 -0.612 18868 6818 1 20 . 1 1 73 73 TYR C C 73 180.040 180.040 177.317 2.723 18868 6819 1 20 . 1 1 73 73 TYR H H 73 7.721 7.721 8.202 -0.481 18868 6820 1 20 . 1 1 74 74 VAL N N 74 119.604 119.604 118.943 0.661 18868 6821 1 20 . 1 1 74 74 VAL C C 74 177.821 177.821 177.937 -0.116 18868 6822 1 20 . 1 1 74 74 VAL CA C 74 60.200 60.200 66.635 -6.435 18868 6823 1 20 . 1 1 74 74 VAL CB C 74 33.800 33.800 31.042 2.758 18868 6824 1 20 . 1 1 74 74 VAL H H 74 8.147 8.147 8.137 0.010 18868 6825 1 20 . 1 1 75 75 THR N N 75 124.638 124.638 117.417 7.221 18868 6826 1 20 . 1 1 75 75 THR C C 75 179.971 179.971 176.498 3.473 18868 6827 1 20 . 1 1 75 75 THR CA C 75 60.600 60.600 66.473 -5.873 18868 6828 1 20 . 1 1 75 75 THR H H 75 7.714 7.714 7.547 0.167 18868 6829 1 20 . 1 1 76 76 PHE N N 76 116.963 116.963 123.026 -6.063 18868 6830 1 20 . 1 1 76 76 PHE C C 76 177.695 177.695 176.550 1.145 18868 6831 1 20 . 1 1 76 76 PHE CA C 76 60.000 60.000 60.885 -0.885 18868 6832 1 20 . 1 1 76 76 PHE H H 76 7.864 7.864 7.425 0.439 18868 6833 1 20 . 1 1 77 77 LEU N N 77 117.568 117.568 118.352 -0.784 18868 6834 1 20 . 1 1 77 77 LEU C C 77 180.668 180.668 178.952 1.716 18868 6835 1 20 . 1 1 77 77 LEU CA C 77 57.800 57.800 57.361 0.439 18868 6836 1 20 . 1 1 77 77 LEU H H 77 7.913 7.913 7.673 0.240 18868 6837 1 20 . 1 1 78 78 GLY N N 78 104.257 104.257 106.571 -2.314 18868 6838 1 20 . 1 1 78 78 GLY C C 78 176.062 176.062 175.361 0.701 18868 6839 1 20 . 1 1 78 78 GLY CA C 78 47.600 47.600 47.031 0.569 18868 6840 1 20 . 1 1 78 78 GLY H H 78 8.057 8.057 8.359 -0.302 18868 6841 1 20 . 1 1 79 79 ALA N N 79 124.122 124.122 124.895 -0.773 18868 6842 1 20 . 1 1 79 79 ALA C C 79 182.313 182.313 179.600 2.713 18868 6843 1 20 . 1 1 79 79 ALA CA C 79 55.100 55.100 54.797 0.303 18868 6844 1 20 . 1 1 79 79 ALA H H 79 7.804 7.804 7.731 0.073 18868 6845 1 20 . 1 1 80 80 LEU N N 80 117.976 117.976 119.084 -1.108 18868 6846 1 20 . 1 1 80 80 LEU C C 80 178.389 178.389 179.049 -0.660 18868 6847 1 20 . 1 1 80 80 LEU CA C 80 57.400 57.400 57.671 -0.271 18868 6848 1 20 . 1 1 80 80 LEU H H 80 8.045 8.045 7.538 0.507 18868 6849 1 20 . 1 1 81 81 ALA N N 81 121.199 121.199 121.951 -0.752 18868 6850 1 20 . 1 1 81 81 ALA C C 81 181.617 181.617 179.755 1.862 18868 6851 1 20 . 1 1 81 81 ALA CA C 81 55.300 55.300 55.102 0.198 18868 6852 1 20 . 1 1 81 81 ALA H H 81 8.152 8.152 7.861 0.291 18868 6853 1 20 . 1 1 82 82 LEU N N 82 117.392 117.392 119.583 -2.191 18868 6854 1 20 . 1 1 82 82 LEU C C 82 180.828 180.828 179.063 1.765 18868 6855 1 20 . 1 1 82 82 LEU CA C 82 58.800 58.800 57.948 0.852 18868 6856 1 20 . 1 1 82 82 LEU H H 82 7.238 7.238 7.779 -0.541 18868 6857 1 20 . 1 1 83 83 ILE N N 83 124.342 124.342 119.580 4.762 18868 6858 1 20 . 1 1 83 83 ILE C C 83 177.495 177.495 178.231 -0.736 18868 6859 1 20 . 1 1 83 83 ILE CA C 83 60.500 60.500 65.601 -5.101 18868 6860 1 20 . 1 1 83 83 ILE H H 83 8.726 8.726 7.934 0.792 18868 6861 1 20 . 1 1 84 84 TYR N N 84 120.026 120.026 118.101 1.925 18868 6862 1 20 . 1 1 84 84 TYR C C 84 177.236 177.236 178.142 -0.906 18868 6863 1 20 . 1 1 84 84 TYR CA C 84 56.900 56.900 62.210 -5.310 18868 6864 1 20 . 1 1 84 84 TYR H H 84 8.241 8.241 8.355 -0.114 18868 6865 1 20 . 1 1 85 85 ASN N N 85 117.125 117.125 116.842 0.283 18868 6866 1 20 . 1 1 85 85 ASN C C 85 175.508 175.508 177.687 -2.179 18868 6867 1 20 . 1 1 85 85 ASN CA C 85 56.600 56.600 55.957 0.643 18868 6868 1 20 . 1 1 85 85 ASN H H 85 7.681 7.681 8.054 -0.373 18868 6869 1 20 . 1 1 86 86 GLU N N 86 119.756 119.756 119.797 -0.041 18868 6870 1 20 . 1 1 86 86 GLU C C 86 177.821 177.821 178.534 -0.713 18868 6871 1 20 . 1 1 86 86 GLU H H 86 8.790 8.790 8.492 0.298 18868 6872 1 20 . 1 1 87 87 ALA N N 87 112.780 112.780 120.899 -8.119 18868 6873 1 20 . 1 1 87 87 ALA H H 87 8.241 8.241 7.611 0.630 18868 6874 1 20 . 1 1 88 88 LEU N N 88 118.627 118.627 116.256 2.371 18868 6875 1 20 . 1 1 88 88 LEU CA C 88 57.900 57.900 56.062 1.838 18868 6876 1 20 . 1 1 88 88 LEU H H 88 8.384 8.384 7.230 1.154 18868 6877 1 20 . 1 1 89 89 LYS N N 89 118.552 118.552 118.853 -0.301 18868 6878 1 20 . 1 1 89 89 LYS C C 89 177.332 177.332 177.618 -0.286 18868 6879 1 20 . 1 1 89 89 LYS CA C 89 56.900 56.900 56.989 -0.089 18868 6880 1 20 . 1 1 89 89 LYS H H 89 7.854 7.854 7.412 0.442 18868 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 92 2.987 0.384 2.978 18868 2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 18868 3 1 1 "Average Difference" C 79 1.714 -1.006 1.397 18868 4 1 1 "Average Difference" CA 88 1.915 0.315 1.900 18868 5 1 1 "Average Difference" CB 22 2.244 -0.684 2.188 18868 6 1 1 "Average Difference" HN 92 0.573 -0.136 0.559 18868 7 1 2 "Average Difference" N 92 2.973 0.423 2.959 18868 8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 18868 9 1 2 "Average Difference" C 79 1.695 -1.006 1.372 18868 10 1 2 "Average Difference" CA 88 1.907 0.303 1.893 18868 11 1 2 "Average Difference" CB 22 2.253 -0.681 2.198 18868 12 1 2 "Average Difference" HN 92 0.591 -0.130 0.579 18868 13 1 3 "Average Difference" N 92 2.973 0.435 2.957 18868 14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 18868 15 1 3 "Average Difference" C 79 1.705 -0.998 1.391 18868 16 1 3 "Average Difference" CA 88 1.910 0.322 1.894 18868 17 1 3 "Average Difference" CB 22 2.281 -0.748 2.206 18868 18 1 3 "Average Difference" HN 92 0.582 -0.117 0.573 18868 19 1 4 "Average Difference" N 92 3.000 0.393 2.991 18868 20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 18868 21 1 4 "Average Difference" C 79 1.693 -0.989 1.383 18868 22 1 4 "Average Difference" CA 88 1.912 0.307 1.898 18868 23 1 4 "Average Difference" CB 22 2.229 -0.672 2.176 18868 24 1 4 "Average Difference" HN 92 0.585 -0.138 0.572 18868 25 1 5 "Average Difference" N 92 2.998 0.430 2.983 18868 26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 18868 27 1 5 "Average Difference" C 79 1.689 -0.992 1.375 18868 28 1 5 "Average Difference" CA 88 1.912 0.314 1.897 18868 29 1 5 "Average Difference" CB 22 2.240 -0.676 2.186 18868 30 1 5 "Average Difference" HN 92 0.570 -0.128 0.559 18868 31 1 6 "Average Difference" N 92 3.006 0.428 2.992 18868 32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 18868 33 1 6 "Average Difference" C 79 1.705 -1.002 1.388 18868 34 1 6 "Average Difference" CA 88 1.918 0.315 1.903 18868 35 1 6 "Average Difference" CB 22 2.251 -0.650 2.206 18868 36 1 6 "Average Difference" HN 92 0.575 -0.124 0.565 18868 37 1 7 "Average Difference" N 92 3.045 0.492 3.021 18868 38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 18868 39 1 7 "Average Difference" C 79 1.706 -1.002 1.390 18868 40 1 7 "Average Difference" CA 88 1.926 0.339 1.906 18868 41 1 7 "Average Difference" CB 22 2.296 -0.719 2.231 18868 42 1 7 "Average Difference" HN 92 0.589 -0.105 0.583 18868 43 1 8 "Average Difference" N 92 3.011 0.431 2.996 18868 44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 18868 45 1 8 "Average Difference" C 79 1.698 -1.003 1.379 18868 46 1 8 "Average Difference" CA 88 1.904 0.297 1.891 18868 47 1 8 "Average Difference" CB 22 2.250 -0.743 2.173 18868 48 1 8 "Average Difference" HN 92 0.585 -0.139 0.571 18868 49 1 9 "Average Difference" N 92 2.989 0.405 2.978 18868 50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 18868 51 1 9 "Average Difference" C 79 1.708 -1.009 1.386 18868 52 1 9 "Average Difference" CA 88 1.913 0.314 1.898 18868 53 1 9 "Average Difference" CB 22 2.277 -0.600 2.248 18868 54 1 9 "Average Difference" HN 92 0.574 -0.131 0.562 18868 55 1 10 "Average Difference" N 92 2.986 0.401 2.975 18868 56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 18868 57 1 10 "Average Difference" C 79 1.690 -0.998 1.372 18868 58 1 10 "Average Difference" CA 88 1.916 0.317 1.901 18868 59 1 10 "Average Difference" CB 22 2.245 -0.701 2.183 18868 60 1 10 "Average Difference" HN 92 0.585 -0.133 0.572 18868 61 1 11 "Average Difference" N 92 3.022 0.355 3.018 18868 62 1 11 "Average Difference" HA 0 0.000 0.000 0.000 18868 63 1 11 "Average Difference" C 79 1.935 -1.249 1.487 18868 64 1 11 "Average Difference" CA 88 1.841 0.161 1.844 18868 65 1 11 "Average Difference" CB 22 2.432 -0.739 2.371 18868 66 1 11 "Average Difference" HN 92 0.633 -0.073 0.632 18868 67 1 12 "Average Difference" N 92 2.997 0.476 2.975 18868 68 1 12 "Average Difference" HA 0 0.000 0.000 0.000 18868 69 1 12 "Average Difference" C 79 1.871 -1.219 1.429 18868 70 1 12 "Average Difference" CA 88 1.788 0.093 1.796 18868 71 1 12 "Average Difference" CB 22 2.200 -0.649 2.151 18868 72 1 12 "Average Difference" HN 92 0.653 -0.065 0.653 18868 73 1 13 "Average Difference" N 92 3.003 0.306 3.004 18868 74 1 13 "Average Difference" HA 0 0.000 0.000 0.000 18868 75 1 13 "Average Difference" C 79 1.886 -1.281 1.394 18868 76 1 13 "Average Difference" CA 88 1.804 0.078 1.813 18868 77 1 13 "Average Difference" CB 22 2.319 -0.727 2.254 18868 78 1 13 "Average Difference" HN 92 0.641 -0.096 0.637 18868 79 1 14 "Average Difference" N 92 3.028 0.539 2.996 18868 80 1 14 "Average Difference" HA 0 0.000 0.000 0.000 18868 81 1 14 "Average Difference" C 79 1.879 -1.176 1.475 18868 82 1 14 "Average Difference" CA 88 1.851 0.217 1.848 18868 83 1 14 "Average Difference" CB 22 2.662 -0.743 2.616 18868 84 1 14 "Average Difference" HN 92 0.653 -0.099 0.649 18868 85 1 15 "Average Difference" N 92 2.990 0.339 2.987 18868 86 1 15 "Average Difference" HA 0 0.000 0.000 0.000 18868 87 1 15 "Average Difference" C 79 1.875 -1.228 1.427 18868 88 1 15 "Average Difference" CA 88 1.903 0.147 1.909 18868 89 1 15 "Average Difference" CB 22 2.468 -0.688 2.426 18868 90 1 15 "Average Difference" HN 92 0.675 -0.092 0.672 18868 91 1 16 "Average Difference" N 92 3.130 0.290 3.133 18868 92 1 16 "Average Difference" HA 0 0.000 0.000 0.000 18868 93 1 16 "Average Difference" C 79 1.882 -1.178 1.477 18868 94 1 16 "Average Difference" CA 88 1.850 0.229 1.847 18868 95 1 16 "Average Difference" CB 22 2.413 -0.675 2.371 18868 96 1 16 "Average Difference" HN 92 0.632 -0.096 0.628 18868 97 1 17 "Average Difference" N 92 3.070 0.436 3.055 18868 98 1 17 "Average Difference" HA 0 0.000 0.000 0.000 18868 99 1 17 "Average Difference" C 79 1.874 -1.176 1.469 18868 100 1 17 "Average Difference" CA 88 1.883 0.134 1.889 18868 101 1 17 "Average Difference" CB 22 2.412 -0.834 2.317 18868 102 1 17 "Average Difference" HN 92 0.618 -0.087 0.615 18868 103 1 18 "Average Difference" N 92 3.176 0.381 3.170 18868 104 1 18 "Average Difference" HA 0 0.000 0.000 0.000 18868 105 1 18 "Average Difference" C 79 1.840 -1.145 1.450 18868 106 1 18 "Average Difference" CA 88 1.801 0.181 1.802 18868 107 1 18 "Average Difference" CB 22 2.448 -0.864 2.344 18868 108 1 18 "Average Difference" HN 92 0.623 -0.119 0.615 18868 109 1 19 "Average Difference" N 92 3.153 0.373 3.148 18868 110 1 19 "Average Difference" HA 0 0.000 0.000 0.000 18868 111 1 19 "Average Difference" C 79 1.959 -1.254 1.515 18868 112 1 19 "Average Difference" CA 88 1.883 0.180 1.885 18868 113 1 19 "Average Difference" CB 22 2.414 -0.386 2.439 18868 114 1 19 "Average Difference" HN 92 0.639 -0.073 0.638 18868 115 1 20 "Average Difference" N 92 3.015 0.361 3.010 18868 116 1 20 "Average Difference" HA 0 0.000 0.000 0.000 18868 117 1 20 "Average Difference" C 79 1.888 -1.225 1.445 18868 118 1 20 "Average Difference" CA 88 1.782 0.198 1.781 18868 119 1 20 "Average Difference" CB 22 2.300 -0.681 2.249 18868 120 1 20 "Average Difference" HN 92 0.613 -0.091 0.610 18868 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 18868 _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 SER N N 3 237.179 237.179 234.636 2.543 18868 2 1 . 1 1 3 3 SER H H 3 16.238 16.238 17.173 -0.935 18868 3 1 . 1 1 4 4 PRO C C 4 180.814 180.814 178.792 2.022 18868 4 1 . 1 1 4 4 PRO CA C 4 66.500 66.500 65.932 0.568 18868 5 1 . 1 1 5 5 LEU N N 5 119.501 119.501 118.160 1.341 18868 6 1 . 1 1 5 5 LEU C C 5 179.272 179.272 178.459 0.814 18868 7 1 . 1 1 5 5 LEU CA C 5 58.600 58.600 58.285 0.315 18868 8 1 . 1 1 5 5 LEU H H 5 9.386 9.386 8.084 1.302 18868 9 1 . 1 1 6 6 ASP N N 6 119.191 119.191 118.649 0.542 18868 10 1 . 1 1 6 6 ASP C C 6 182.313 182.313 179.004 3.309 18868 11 1 . 1 1 6 6 ASP CA C 6 58.000 58.000 57.849 0.151 18868 12 1 . 1 1 6 6 ASP H H 6 7.912 7.912 8.137 -0.225 18868 13 1 . 1 1 7 7 GLN N N 7 117.979 117.979 118.816 -0.837 18868 14 1 . 1 1 7 7 GLN C C 7 179.998 179.998 178.456 1.542 18868 15 1 . 1 1 7 7 GLN CA C 7 58.900 58.900 58.506 0.394 18868 16 1 . 1 1 7 7 GLN H H 7 8.065 8.065 8.315 -0.250 18868 17 1 . 1 1 8 8 ALA N N 8 124.008 124.008 123.472 0.536 18868 18 1 . 1 1 8 8 ALA CA C 8 55.500 55.500 55.258 0.242 18868 19 1 . 1 1 8 8 ALA H H 8 8.159 8.159 8.082 0.077 18868 20 1 . 1 1 9 9 ILE C C 9 179.258 179.258 178.428 0.830 18868 21 1 . 1 1 9 9 ILE CA C 9 64.900 64.900 63.051 1.849 18868 22 1 . 1 1 10 10 GLY N N 10 105.447 105.447 108.304 -2.857 18868 23 1 . 1 1 10 10 GLY C C 10 177.984 177.984 176.217 1.767 18868 24 1 . 1 1 10 10 GLY CA C 10 47.300 47.300 47.180 0.120 18868 25 1 . 1 1 10 10 GLY H H 10 8.062 8.062 8.422 -0.360 18868 26 1 . 1 1 11 11 LEU N N 11 124.755 124.755 123.050 1.705 18868 27 1 . 1 1 11 11 LEU C C 11 178.346 178.346 178.552 -0.206 18868 28 1 . 1 1 11 11 LEU CA C 11 58.000 58.000 57.679 0.321 18868 29 1 . 1 1 11 11 LEU H H 11 8.067 8.067 8.037 0.030 18868 30 1 . 1 1 12 12 LEU N N 12 121.609 121.609 119.087 2.522 18868 31 1 . 1 1 12 12 LEU C C 12 182.560 182.560 179.659 2.901 18868 32 1 . 1 1 12 12 LEU CA C 12 59.000 59.000 58.154 0.845 18868 33 1 . 1 1 12 12 LEU H H 12 7.997 7.997 7.932 0.065 18868 34 1 . 1 1 13 13 VAL N N 13 119.951 119.951 119.137 0.814 18868 35 1 . 1 1 13 13 VAL C C 13 178.016 178.016 178.056 -0.040 18868 36 1 . 1 1 13 13 VAL CA C 13 67.100 67.100 66.028 1.072 18868 37 1 . 1 1 13 13 VAL H H 13 8.087 8.087 8.229 -0.142 18868 38 1 . 1 1 14 14 ALA N N 14 122.867 122.867 123.124 -0.257 18868 39 1 . 1 1 14 14 ALA C C 14 175.380 175.380 179.872 -4.492 18868 40 1 . 1 1 14 14 ALA CA C 14 55.600 55.600 55.338 0.262 18868 41 1 . 1 1 14 14 ALA H H 14 8.363 8.363 8.003 0.359 18868 42 1 . 1 1 15 15 ILE N N 15 118.496 118.496 118.831 -0.335 18868 43 1 . 1 1 15 15 ILE C C 15 178.058 178.058 177.811 0.247 18868 44 1 . 1 1 15 15 ILE CA C 15 64.800 64.800 65.150 -0.350 18868 45 1 . 1 1 15 15 ILE H H 15 8.787 8.787 8.002 0.785 18868 46 1 . 1 1 16 16 PHE N N 16 119.259 119.259 120.704 -1.445 18868 47 1 . 1 1 16 16 PHE H H 16 7.171 7.171 7.803 -0.632 18868 48 1 . 1 1 17 17 HIS C C 17 178.660 178.660 177.714 0.946 18868 49 1 . 1 1 17 17 HIS CA C 17 54.800 54.800 57.801 -3.001 18868 50 1 . 1 1 17 17 HIS CB C 17 30.000 30.000 29.449 0.551 18868 51 1 . 1 1 18 18 LYS N N 18 122.924 122.924 120.520 2.404 18868 52 1 . 1 1 18 18 LYS C C 18 180.221 180.221 177.601 2.620 18868 53 1 . 1 1 18 18 LYS CA C 18 58.800 58.800 58.880 -0.080 18868 54 1 . 1 1 18 18 LYS CB C 18 40.200 40.200 32.423 7.777 18868 55 1 . 1 1 18 18 LYS H H 18 8.880 8.880 7.821 1.059 18868 56 1 . 1 1 19 19 TYR N N 19 120.227 120.227 115.425 4.802 18868 57 1 . 1 1 19 19 TYR C C 19 178.435 178.435 176.450 1.985 18868 58 1 . 1 1 19 19 TYR CA C 19 55.300 55.300 59.179 -3.879 18868 59 1 . 1 1 19 19 TYR H H 19 8.879 8.879 7.601 1.278 18868 60 1 . 1 1 20 20 SER N N 20 119.760 119.760 115.895 3.865 18868 61 1 . 1 1 20 20 SER C C 20 178.376 178.376 175.961 2.415 18868 62 1 . 1 1 20 20 SER CA C 20 56.900 56.900 59.832 -2.932 18868 63 1 . 1 1 20 20 SER CB C 20 61.700 61.700 62.267 -0.567 18868 64 1 . 1 1 20 20 SER H H 20 7.557 7.557 7.793 -0.236 18868 65 1 . 1 1 21 21 GLY N N 21 111.202 111.202 111.365 -0.163 18868 66 1 . 1 1 21 21 GLY C C 21 174.862 174.862 174.689 0.173 18868 67 1 . 1 1 21 21 GLY CA C 21 45.600 45.600 44.893 0.707 18868 68 1 . 1 1 21 21 GLY H H 21 7.696 7.696 8.089 -0.393 18868 69 1 . 1 1 22 22 ARG N N 22 122.200 122.200 119.477 2.723 18868 70 1 . 1 1 22 22 ARG C C 22 178.336 178.336 176.550 1.786 18868 71 1 . 1 1 22 22 ARG CA C 22 59.500 59.500 57.637 1.863 18868 72 1 . 1 1 22 22 ARG CB C 22 30.500 30.500 31.094 -0.594 18868 73 1 . 1 1 22 22 ARG H H 22 7.311 7.311 8.231 -0.920 18868 74 1 . 1 1 23 23 GLU N N 23 115.984 115.984 116.544 -0.560 18868 75 1 . 1 1 23 23 GLU C C 23 177.129 177.129 176.152 0.977 18868 76 1 . 1 1 23 23 GLU CA C 23 54.300 54.300 55.446 -1.146 18868 77 1 . 1 1 23 23 GLU CB C 23 33.200 33.200 32.045 1.155 18868 78 1 . 1 1 23 23 GLU H H 23 9.488 9.488 8.301 1.187 18868 79 1 . 1 1 24 24 GLY N N 24 114.031 114.031 111.952 2.079 18868 80 1 . 1 1 24 24 GLY C C 24 174.499 174.499 173.941 0.558 18868 81 1 . 1 1 24 24 GLY CA C 24 45.900 45.900 45.490 0.410 18868 82 1 . 1 1 24 24 GLY H H 24 9.048 9.048 8.520 0.528 18868 83 1 . 1 1 25 25 ASP N N 25 125.634 125.634 121.463 4.171 18868 84 1 . 1 1 25 25 ASP C C 25 177.998 177.998 176.538 1.460 18868 85 1 . 1 1 25 25 ASP CA C 25 55.000 55.000 53.467 1.533 18868 86 1 . 1 1 25 25 ASP H H 25 8.249 8.249 8.306 -0.057 18868 87 1 . 1 1 26 26 LYS N N 26 121.469 121.469 122.210 -0.741 18868 88 1 . 1 1 26 26 LYS CA C 26 172.500 172.500 171.572 0.928 18868 89 1 . 1 1 26 26 LYS CB C 26 37.800 37.800 32.727 5.073 18868 90 1 . 1 1 26 26 LYS H H 26 9.043 9.043 8.575 0.468 18868 91 1 . 1 1 27 27 HIS N N 27 233.963 233.963 228.883 5.081 18868 92 1 . 1 1 27 27 HIS C C 27 175.067 175.067 174.112 0.955 18868 93 1 . 1 1 27 27 HIS CA C 27 55.300 55.300 55.826 -0.526 18868 94 1 . 1 1 27 27 HIS CB C 27 30.300 30.300 31.236 -0.936 18868 95 1 . 1 1 27 27 HIS H H 27 16.409 16.409 16.309 0.100 18868 96 1 . 1 1 28 28 THR N N 28 106.447 106.447 110.752 -4.305 18868 97 1 . 1 1 28 28 THR C C 28 174.469 174.469 173.170 1.299 18868 98 1 . 1 1 28 28 THR CA C 28 60.000 60.000 60.366 -0.367 18868 99 1 . 1 1 28 28 THR H H 28 7.248 7.248 7.467 -0.219 18868 100 1 . 1 1 29 29 LEU N N 29 125.037 125.037 124.145 0.892 18868 101 1 . 1 1 29 29 LEU C C 29 180.751 180.751 176.732 4.019 18868 102 1 . 1 1 29 29 LEU CA C 29 55.200 55.200 53.608 1.592 18868 103 1 . 1 1 29 29 LEU CB C 29 41.800 41.800 43.550 -1.750 18868 104 1 . 1 1 29 29 LEU H H 29 9.421 9.421 8.895 0.526 18868 105 1 . 1 1 30 30 SER N N 30 131.373 131.373 120.428 10.945 18868 106 1 . 1 1 30 30 SER C C 30 177.946 177.946 175.999 1.947 18868 107 1 . 1 1 30 30 SER CA C 30 57.900 57.900 57.958 -0.058 18868 108 1 . 1 1 30 30 SER H H 30 9.312 9.312 9.530 -0.218 18868 109 1 . 1 1 31 31 LYS N N 31 117.689 117.689 120.335 -2.646 18868 110 1 . 1 1 31 31 LYS CA C 31 113.200 113.200 117.649 -4.449 18868 111 1 . 1 1 31 31 LYS H H 31 9.659 9.659 8.858 0.801 18868 112 1 . 1 1 32 32 LYS C C 32 180.677 180.677 178.457 2.220 18868 113 1 . 1 1 32 32 LYS CA C 32 59.800 59.800 59.188 0.612 18868 114 1 . 1 1 33 33 GLU N N 33 120.336 120.336 120.361 -0.025 18868 115 1 . 1 1 33 33 GLU C C 33 179.654 179.654 179.093 0.561 18868 116 1 . 1 1 33 33 GLU CA C 33 59.300 59.300 59.420 -0.120 18868 117 1 . 1 1 33 33 GLU H H 33 7.608 7.608 7.814 -0.206 18868 118 1 . 1 1 34 34 LEU N N 34 117.303 117.303 120.602 -3.299 18868 119 1 . 1 1 34 34 LEU C C 34 179.420 179.420 177.979 1.441 18868 120 1 . 1 1 34 34 LEU CA C 34 170.100 170.100 173.740 -3.640 18868 121 1 . 1 1 34 34 LEU H H 34 7.659 7.659 8.337 -0.678 18868 122 1 . 1 1 35 35 LYS N N 35 116.520 116.520 119.390 -2.870 18868 123 1 . 1 1 35 35 LYS CA C 35 60.700 60.700 60.010 0.690 18868 124 1 . 1 1 35 35 LYS CB C 35 32.000 32.000 31.962 0.038 18868 125 1 . 1 1 35 35 LYS H H 35 7.731 7.731 7.983 -0.252 18868 126 1 . 1 1 36 36 GLU N N 36 118.365 118.365 119.707 -1.342 18868 127 1 . 1 1 36 36 GLU C C 36 177.868 177.868 178.551 -0.683 18868 128 1 . 1 1 36 36 GLU CA C 36 59.700 59.700 59.064 0.636 18868 129 1 . 1 1 36 36 GLU CB C 36 29.300 29.300 29.664 -0.365 18868 130 1 . 1 1 36 36 GLU H H 36 7.871 7.871 7.668 0.203 18868 131 1 . 1 1 37 37 LEU N N 37 121.068 121.068 120.490 0.578 18868 132 1 . 1 1 37 37 LEU C C 37 176.731 176.731 178.501 -1.770 18868 133 1 . 1 1 37 37 LEU CA C 37 59.500 59.500 57.668 1.832 18868 134 1 . 1 1 37 37 LEU CB C 37 42.700 42.700 41.769 0.931 18868 135 1 . 1 1 37 37 LEU H H 37 7.513 7.513 7.645 -0.132 18868 136 1 . 1 1 38 38 ILE N N 38 117.867 117.867 118.292 -0.425 18868 137 1 . 1 1 38 38 ILE C C 38 178.658 178.658 178.559 0.099 18868 138 1 . 1 1 38 38 ILE CA C 38 65.300 65.300 65.259 0.041 18868 139 1 . 1 1 38 38 ILE H H 38 8.206 8.206 8.016 0.190 18868 140 1 . 1 1 39 39 GLN N N 39 114.147 114.147 117.159 -3.012 18868 141 1 . 1 1 39 39 GLN C C 39 180.003 180.003 177.420 2.583 18868 142 1 . 1 1 39 39 GLN CA C 39 59.500 59.500 58.412 1.088 18868 143 1 . 1 1 39 39 GLN H H 39 8.238 8.238 8.118 0.120 18868 144 1 . 1 1 40 40 LYS N N 40 115.051 115.051 117.939 -2.888 18868 145 1 . 1 1 40 40 LYS C C 40 180.483 180.483 177.858 2.625 18868 146 1 . 1 1 40 40 LYS CA C 40 57.500 57.500 57.655 -0.155 18868 147 1 . 1 1 40 40 LYS H H 40 8.298 8.298 7.658 0.640 18868 148 1 . 1 1 41 41 GLU N N 41 112.448 112.448 116.895 -4.447 18868 149 1 . 1 1 41 41 GLU C C 41 178.252 178.252 176.699 1.553 18868 150 1 . 1 1 41 41 GLU CA C 41 55.700 55.700 56.226 -0.526 18868 151 1 . 1 1 41 41 GLU H H 41 8.328 8.328 8.234 0.094 18868 152 1 . 1 1 42 42 LEU N N 42 118.693 118.693 122.122 -3.429 18868 153 1 . 1 1 42 42 LEU C C 42 179.377 179.377 177.574 1.803 18868 154 1 . 1 1 42 42 LEU CA C 42 53.300 53.300 54.113 -0.813 18868 155 1 . 1 1 42 42 LEU H H 42 7.361 7.361 7.566 -0.205 18868 156 1 . 1 1 43 43 THR N N 43 125.535 125.535 122.302 3.234 18868 157 1 . 1 1 43 43 THR C C 43 180.403 180.403 175.873 4.530 18868 158 1 . 1 1 43 43 THR CA C 43 67.300 67.300 66.295 1.005 18868 159 1 . 1 1 43 43 THR H H 43 9.926 9.926 8.761 1.165 18868 160 1 . 1 1 44 44 ILE N N 44 116.467 116.467 119.895 -3.428 18868 161 1 . 1 1 44 44 ILE C C 44 178.107 178.107 177.400 0.707 18868 162 1 . 1 1 44 44 ILE CA C 44 62.400 62.400 60.445 1.955 18868 163 1 . 1 1 44 44 ILE CB C 44 38.300 38.300 37.811 0.489 18868 164 1 . 1 1 44 44 ILE H H 44 8.214 8.214 7.952 0.262 18868 165 1 . 1 1 45 45 GLY N N 45 108.241 108.241 109.632 -1.391 18868 166 1 . 1 1 45 45 GLY C C 45 176.355 176.355 176.183 0.172 18868 167 1 . 1 1 45 45 GLY CA C 45 47.400 47.400 47.529 -0.129 18868 168 1 . 1 1 45 45 GLY H H 45 7.750 7.750 8.308 -0.558 18868 169 1 . 1 1 46 46 SER N N 46 113.635 113.635 114.649 -1.014 18868 170 1 . 1 1 46 46 SER C C 46 176.007 176.007 175.152 0.855 18868 171 1 . 1 1 46 46 SER CA C 46 60.100 60.100 60.144 -0.044 18868 172 1 . 1 1 46 46 SER H H 46 7.847 7.847 8.138 -0.291 18868 173 1 . 1 1 47 47 LYS N N 47 119.437 119.437 119.636 -0.199 18868 174 1 . 1 1 47 47 LYS C C 47 178.100 178.100 176.280 1.820 18868 175 1 . 1 1 47 47 LYS CA C 47 56.000 56.000 55.985 0.015 18868 176 1 . 1 1 47 47 LYS CB C 47 33.400 33.400 33.418 -0.018 18868 177 1 . 1 1 47 47 LYS H H 47 7.709 7.709 7.618 0.091 18868 178 1 . 1 1 48 48 LEU N N 48 120.169 120.169 121.394 -1.225 18868 179 1 . 1 1 48 48 LEU C C 48 178.009 178.009 176.727 1.282 18868 180 1 . 1 1 48 48 LEU CA C 48 55.000 55.000 54.531 0.469 18868 181 1 . 1 1 48 48 LEU H H 48 7.139 7.139 7.383 -0.243 18868 182 1 . 1 1 49 49 GLN N N 49 121.739 121.739 120.526 1.212 18868 183 1 . 1 1 49 49 GLN C C 49 179.051 179.051 176.637 2.414 18868 184 1 . 1 1 49 49 GLN CA C 49 113.900 113.900 111.554 2.346 18868 185 1 . 1 1 49 49 GLN H H 49 7.917 7.917 8.313 -0.396 18868 186 1 . 1 1 50 50 ASP N N 50 119.121 119.121 123.265 -4.144 18868 187 1 . 1 1 50 50 ASP C C 50 178.335 178.335 177.911 0.424 18868 188 1 . 1 1 50 50 ASP CA C 50 59.300 59.300 57.808 1.492 18868 189 1 . 1 1 50 50 ASP H H 50 7.597 7.597 8.910 -1.312 18868 190 1 . 1 1 51 51 ALA N N 51 116.624 116.624 121.809 -5.185 18868 191 1 . 1 1 51 51 ALA C C 51 181.587 181.587 179.788 1.799 18868 192 1 . 1 1 51 51 ALA CA C 51 57.700 57.700 55.086 2.614 18868 193 1 . 1 1 51 51 ALA H H 51 7.560 7.560 8.416 -0.856 18868 194 1 . 1 1 52 52 GLU N N 52 118.931 118.931 118.817 0.114 18868 195 1 . 1 1 52 52 GLU C C 52 180.495 180.495 179.087 1.408 18868 196 1 . 1 1 52 52 GLU CA C 52 58.900 58.900 58.816 0.084 18868 197 1 . 1 1 52 52 GLU H H 52 8.511 8.511 7.896 0.615 18868 198 1 . 1 1 53 53 ILE N N 53 120.400 120.400 120.484 -0.084 18868 199 1 . 1 1 53 53 ILE CA C 53 124.400 124.400 130.461 -6.061 18868 200 1 . 1 1 53 53 ILE H H 53 7.905 7.905 8.223 -0.318 18868 201 1 . 1 1 54 54 ALA C C 54 181.477 181.477 179.242 2.235 18868 202 1 . 1 1 54 54 ALA CA C 54 55.600 55.600 55.329 0.271 18868 203 1 . 1 1 55 55 ARG N N 55 118.315 118.315 119.179 -0.864 18868 204 1 . 1 1 55 55 ARG C C 55 179.468 179.468 178.318 1.150 18868 205 1 . 1 1 55 55 ARG CA C 55 59.100 59.100 59.094 0.006 18868 206 1 . 1 1 55 55 ARG H H 55 7.448 7.448 7.860 -0.412 18868 207 1 . 1 1 56 56 LEU N N 56 120.310 120.310 121.471 -1.161 18868 208 1 . 1 1 56 56 LEU C C 56 179.984 179.984 178.608 1.376 18868 209 1 . 1 1 56 56 LEU CA C 56 58.000 58.000 58.003 -0.003 18868 210 1 . 1 1 56 56 LEU H H 56 7.672 7.672 8.266 -0.594 18868 211 1 . 1 1 57 57 MET N N 57 115.780 115.780 116.512 -0.732 18868 212 1 . 1 1 57 57 MET C C 57 179.083 179.083 178.634 0.449 18868 213 1 . 1 1 57 57 MET H H 57 8.354 8.354 8.375 -0.021 18868 214 1 . 1 1 58 58 GLU N N 58 117.826 117.826 120.300 -2.474 18868 215 1 . 1 1 58 58 GLU C C 58 179.161 179.161 178.399 0.762 18868 216 1 . 1 1 58 58 GLU CA C 58 59.300 59.300 58.907 0.393 18868 217 1 . 1 1 58 58 GLU CB C 58 31.100 31.100 29.218 1.882 18868 218 1 . 1 1 58 58 GLU H H 58 7.620 7.620 7.950 -0.330 18868 219 1 . 1 1 59 59 ASP N N 59 117.801 117.801 120.051 -2.250 18868 220 1 . 1 1 59 59 ASP CA C 59 57.200 57.200 57.012 0.188 18868 221 1 . 1 1 59 59 ASP H H 59 8.693 8.693 8.054 0.639 18868 222 1 . 1 1 60 60 LEU N N 60 117.370 117.370 118.066 -0.696 18868 223 1 . 1 1 60 60 LEU C C 60 179.216 179.216 177.235 1.981 18868 224 1 . 1 1 60 60 LEU CA C 60 56.200 56.200 56.873 -0.673 18868 225 1 . 1 1 60 60 LEU H H 60 8.159 8.159 7.724 0.435 18868 226 1 . 1 1 61 61 ASP N N 61 117.835 117.835 117.499 0.336 18868 227 1 . 1 1 61 61 ASP C C 61 178.473 178.473 176.468 2.005 18868 228 1 . 1 1 61 61 ASP CA C 61 52.800 52.800 54.313 -1.513 18868 229 1 . 1 1 61 61 ASP CB C 61 39.100 39.100 40.521 -1.421 18868 230 1 . 1 1 61 61 ASP H H 61 7.559 7.559 7.691 -0.132 18868 231 1 . 1 1 62 62 ARG N N 62 125.783 125.783 125.800 -0.017 18868 232 1 . 1 1 62 62 ARG C C 62 178.519 178.519 177.565 0.954 18868 233 1 . 1 1 62 62 ARG CA C 62 58.500 58.500 57.294 1.206 18868 234 1 . 1 1 62 62 ARG CB C 62 30.200 30.200 30.407 -0.207 18868 235 1 . 1 1 62 62 ARG H H 62 7.839 7.839 8.647 -0.808 18868 236 1 . 1 1 63 63 ASN N N 63 112.348 112.348 116.780 -4.432 18868 237 1 . 1 1 63 63 ASN C C 63 175.597 175.597 174.925 0.672 18868 238 1 . 1 1 63 63 ASN CA C 63 51.900 51.900 53.207 -1.307 18868 239 1 . 1 1 63 63 ASN CB C 63 36.700 36.700 38.734 -2.034 18868 240 1 . 1 1 63 63 ASN H H 63 7.899 7.899 8.021 -0.122 18868 241 1 . 1 1 64 64 LYS N N 64 114.407 114.407 118.060 -3.653 18868 242 1 . 1 1 64 64 LYS C C 64 176.731 176.731 175.304 1.427 18868 243 1 . 1 1 64 64 LYS CA C 64 59.500 59.500 57.220 2.280 18868 244 1 . 1 1 64 64 LYS H H 64 7.485 7.485 8.257 -0.772 18868 245 1 . 1 1 65 65 ASP N N 65 117.880 117.880 119.613 -1.733 18868 246 1 . 1 1 65 65 ASP C C 65 177.981 177.981 176.381 1.600 18868 247 1 . 1 1 65 65 ASP CA C 65 52.900 52.900 54.123 -1.224 18868 248 1 . 1 1 65 65 ASP H H 65 8.184 8.184 8.636 -0.452 18868 249 1 . 1 1 66 66 GLN N N 66 114.037 114.037 113.830 0.207 18868 250 1 . 1 1 66 66 GLN C C 66 175.374 175.374 174.374 1.000 18868 251 1 . 1 1 66 66 GLN CA C 66 57.900 57.900 57.940 -0.040 18868 252 1 . 1 1 66 66 GLN CB C 66 26.200 26.200 26.411 -0.211 18868 253 1 . 1 1 66 66 GLN H H 66 9.917 9.917 8.441 1.475 18868 254 1 . 1 1 67 67 GLU N N 67 117.611 117.611 117.795 -0.184 18868 255 1 . 1 1 67 67 GLU C C 67 176.826 176.826 175.870 0.956 18868 256 1 . 1 1 67 67 GLU CA C 67 54.000 54.000 54.567 -0.567 18868 257 1 . 1 1 67 67 GLU CB C 67 33.100 33.100 31.670 1.430 18868 258 1 . 1 1 67 67 GLU H H 67 7.800 7.800 8.107 -0.307 18868 259 1 . 1 1 68 68 VAL N N 68 126.064 126.064 126.077 -0.013 18868 260 1 . 1 1 68 68 VAL C C 68 177.398 177.398 175.738 1.660 18868 261 1 . 1 1 68 68 VAL CA C 68 61.100 61.100 62.536 -1.436 18868 262 1 . 1 1 68 68 VAL CB C 68 33.300 33.300 31.597 1.703 18868 263 1 . 1 1 68 68 VAL H H 68 9.656 9.656 8.521 1.135 18868 264 1 . 1 1 69 69 ASN N N 69 127.002 127.002 126.413 0.589 18868 265 1 . 1 1 69 69 ASN C C 69 175.438 175.438 175.972 -0.534 18868 266 1 . 1 1 69 69 ASN CA C 69 51.200 51.200 52.221 -1.021 18868 267 1 . 1 1 69 69 ASN H H 69 9.036 9.036 8.819 0.217 18868 268 1 . 1 1 70 70 PHE N N 70 119.437 119.437 119.532 -0.095 18868 269 1 . 1 1 70 70 PHE C C 70 177.652 177.652 177.294 0.358 18868 270 1 . 1 1 70 70 PHE CA C 70 63.300 63.300 62.096 1.204 18868 271 1 . 1 1 70 70 PHE H H 70 9.055 9.055 9.086 -0.031 18868 272 1 . 1 1 71 71 GLN N N 71 117.576 117.576 117.342 0.234 18868 273 1 . 1 1 71 71 GLN C C 71 180.488 180.488 178.429 2.059 18868 274 1 . 1 1 71 71 GLN CA C 71 60.100 60.100 59.335 0.765 18868 275 1 . 1 1 71 71 GLN CB C 71 27.900 27.900 28.284 -0.384 18868 276 1 . 1 1 71 71 GLN H H 71 8.273 8.273 8.501 -0.228 18868 277 1 . 1 1 72 72 GLU N N 72 119.971 119.971 119.956 0.015 18868 278 1 . 1 1 72 72 GLU C C 72 179.001 179.001 178.845 0.156 18868 279 1 . 1 1 72 72 GLU CA C 72 58.700 58.700 59.055 -0.355 18868 280 1 . 1 1 72 72 GLU H H 72 8.631 8.631 7.801 0.830 18868 281 1 . 1 1 73 73 TYR N N 73 120.475 120.475 121.440 -0.965 18868 282 1 . 1 1 73 73 TYR C C 73 180.040 180.040 177.250 2.790 18868 283 1 . 1 1 73 73 TYR H H 73 7.721 7.721 7.964 -0.243 18868 284 1 . 1 1 74 74 VAL N N 74 119.604 119.604 118.608 0.996 18868 285 1 . 1 1 74 74 VAL C C 74 533.449 533.449 533.362 0.087 18868 286 1 . 1 1 74 74 VAL CA C 74 60.200 60.200 66.849 -6.649 18868 287 1 . 1 1 74 74 VAL CB C 74 33.800 33.800 31.095 2.705 18868 288 1 . 1 1 74 74 VAL H H 74 8.147 8.147 7.951 0.196 18868 289 1 . 1 1 75 75 THR N N 75 353.906 353.906 351.076 2.830 18868 290 1 . 1 1 75 75 THR C C 75 179.971 179.971 176.423 3.548 18868 291 1 . 1 1 75 75 THR CA C 75 60.600 60.600 66.501 -5.901 18868 292 1 . 1 1 75 75 THR H H 75 24.189 24.189 22.440 1.749 18868 293 1 . 1 1 76 76 PHE N N 76 116.963 116.963 122.815 -5.852 18868 294 1 . 1 1 76 76 PHE C C 76 177.695 177.695 176.554 1.141 18868 295 1 . 1 1 76 76 PHE CA C 76 60.000 60.000 60.640 -0.640 18868 296 1 . 1 1 76 76 PHE H H 76 7.864 7.864 7.468 0.396 18868 297 1 . 1 1 77 77 LEU N N 77 117.568 117.568 118.722 -1.154 18868 298 1 . 1 1 77 77 LEU C C 77 180.668 180.668 178.779 1.889 18868 299 1 . 1 1 77 77 LEU CA C 77 57.800 57.800 57.292 0.508 18868 300 1 . 1 1 77 77 LEU H H 77 7.913 7.913 7.774 0.139 18868 301 1 . 1 1 78 78 GLY N N 78 104.257 104.257 106.303 -2.046 18868 302 1 . 1 1 78 78 GLY C C 78 176.062 176.062 175.318 0.744 18868 303 1 . 1 1 78 78 GLY CA C 78 47.600 47.600 47.008 0.592 18868 304 1 . 1 1 78 78 GLY H H 78 8.057 8.057 8.410 -0.353 18868 305 1 . 1 1 79 79 ALA N N 79 124.122 124.122 124.943 -0.821 18868 306 1 . 1 1 79 79 ALA C C 79 182.313 182.313 179.415 2.898 18868 307 1 . 1 1 79 79 ALA CA C 79 55.100 55.100 54.805 0.294 18868 308 1 . 1 1 79 79 ALA H H 79 7.804 7.804 7.681 0.122 18868 309 1 . 1 1 80 80 LEU N N 80 117.976 117.976 118.942 -0.966 18868 310 1 . 1 1 80 80 LEU C C 80 178.389 178.389 179.043 -0.654 18868 311 1 . 1 1 80 80 LEU CA C 80 57.400 57.400 57.583 -0.183 18868 312 1 . 1 1 80 80 LEU H H 80 8.045 8.045 7.765 0.280 18868 313 1 . 1 1 81 81 ALA N N 81 121.199 121.199 122.109 -0.910 18868 314 1 . 1 1 81 81 ALA C C 81 181.617 181.617 179.703 1.914 18868 315 1 . 1 1 81 81 ALA CA C 81 55.300 55.300 55.137 0.163 18868 316 1 . 1 1 81 81 ALA H H 81 8.152 8.152 7.954 0.198 18868 317 1 . 1 1 82 82 LEU N N 82 117.392 117.392 119.304 -1.912 18868 318 1 . 1 1 82 82 LEU C C 82 180.828 180.828 179.127 1.701 18868 319 1 . 1 1 82 82 LEU CA C 82 58.800 58.800 57.889 0.911 18868 320 1 . 1 1 82 82 LEU H H 82 7.238 7.238 7.921 -0.683 18868 321 1 . 1 1 83 83 ILE N N 83 124.342 124.342 119.753 4.589 18868 322 1 . 1 1 83 83 ILE C C 83 177.495 177.495 178.225 -0.730 18868 323 1 . 1 1 83 83 ILE CA C 83 60.500 60.500 65.622 -5.122 18868 324 1 . 1 1 83 83 ILE H H 83 8.726 8.726 7.788 0.938 18868 325 1 . 1 1 84 84 TYR N N 84 120.026 120.026 118.446 1.579 18868 326 1 . 1 1 84 84 TYR C C 84 177.236 177.236 178.084 -0.848 18868 327 1 . 1 1 84 84 TYR CA C 84 56.900 56.900 62.154 -5.254 18868 328 1 . 1 1 84 84 TYR H H 84 8.241 8.241 8.127 0.114 18868 329 1 . 1 1 85 85 ASN N N 85 117.125 117.125 116.912 0.213 18868 330 1 . 1 1 85 85 ASN C C 85 175.508 175.508 177.771 -2.263 18868 331 1 . 1 1 85 85 ASN CA C 85 56.600 56.600 55.920 0.680 18868 332 1 . 1 1 85 85 ASN H H 85 7.681 7.681 8.118 -0.437 18868 333 1 . 1 1 86 86 GLU N N 86 119.756 119.756 120.111 -0.355 18868 334 1 . 1 1 86 86 GLU C C 86 177.821 177.821 178.628 -0.807 18868 335 1 . 1 1 86 86 GLU H H 86 8.790 8.790 8.369 0.421 18868 336 1 . 1 1 87 87 ALA N N 87 474.597 474.597 486.073 -11.476 18868 337 1 . 1 1 87 87 ALA H H 87 32.193 32.193 30.503 1.690 18868 338 1 . 1 1 88 88 LEU N N 88 237.179 237.179 234.301 2.878 18868 339 1 . 1 1 88 88 LEU CA C 88 57.900 57.900 56.045 1.855 18868 340 1 . 1 1 88 88 LEU H H 88 16.238 16.238 14.965 1.273 18868 341 1 . 1 1 89 89 LYS N N 89 349.959 349.959 356.372 -6.413 18868 342 1 . 1 1 89 89 LYS C C 89 177.332 177.332 177.252 0.080 18868 343 1 . 1 1 89 89 LYS CA C 89 56.900 56.900 57.049 -0.149 18868 344 1 . 1 1 89 89 LYS H H 89 24.479 24.479 22.721 1.758 18868 stop_ save_