data_19012 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19012 _Entry.PDB_ID 2M4L 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 19012 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 GLU N N 2 119.968 119.968 124.212 -4.244 19012 2 1 1 . 1 1 2 2 GLU HA H 2 4.009 4.009 4.266 -0.257 19012 3 1 1 . 1 1 2 2 GLU CA C 2 53.190 53.190 56.213 -3.023 19012 4 1 1 . 1 1 2 2 GLU CB C 2 27.574 27.574 29.895 -2.321 19012 5 1 1 . 1 1 2 2 GLU H H 2 8.212 8.212 8.440 -0.228 19012 6 1 1 . 1 1 3 3 ASP N N 3 122.057 122.057 125.992 -3.935 19012 7 1 1 . 1 1 3 3 ASP HA H 3 4.509 4.509 4.831 -0.322 19012 8 1 1 . 1 1 3 3 ASP CA C 3 50.691 50.691 53.511 -2.820 19012 9 1 1 . 1 1 3 3 ASP CB C 3 38.121 38.121 41.025 -2.904 19012 10 1 1 . 1 1 3 3 ASP H H 3 8.209 8.209 8.354 -0.145 19012 11 1 1 . 1 1 4 4 TRP N N 4 121.397 121.397 123.516 -2.119 19012 12 1 1 . 1 1 4 4 TRP HA H 4 4.749 4.749 4.950 -0.201 19012 13 1 1 . 1 1 4 4 TRP CA C 4 53.792 53.792 56.315 -2.523 19012 14 1 1 . 1 1 4 4 TRP CB C 4 27.994 27.994 30.828 -2.834 19012 15 1 1 . 1 1 4 4 TRP H H 4 7.614 7.614 8.408 -0.794 19012 16 1 1 . 1 1 5 5 THR N N 5 117.669 117.669 114.637 3.032 19012 17 1 1 . 1 1 5 5 THR HA H 5 4.733 4.733 4.595 0.138 19012 18 1 1 . 1 1 5 5 THR CA C 5 57.170 57.170 61.160 -3.990 19012 19 1 1 . 1 1 5 5 THR CB C 5 68.444 68.444 69.923 -1.479 19012 20 1 1 . 1 1 5 5 THR H H 5 9.387 9.387 8.915 0.472 19012 21 1 1 . 1 1 6 6 GLU N N 6 121.359 121.359 120.724 0.635 19012 22 1 1 . 1 1 6 6 GLU HA H 6 4.283 4.283 4.188 0.095 19012 23 1 1 . 1 1 6 6 GLU CA C 6 53.743 53.743 57.044 -3.301 19012 24 1 1 . 1 1 6 6 GLU CB C 6 28.184 28.184 29.732 -1.548 19012 25 1 1 . 1 1 6 6 GLU H H 6 8.027 8.027 8.612 -0.585 19012 26 1 1 . 1 1 7 7 LEU N N 7 126.701 126.701 127.860 -1.159 19012 27 1 1 . 1 1 7 7 LEU HA H 7 4.217 4.217 4.071 0.146 19012 28 1 1 . 1 1 7 7 LEU CA C 7 52.720 52.720 55.778 -3.058 19012 29 1 1 . 1 1 7 7 LEU CB C 7 40.595 40.595 42.369 -1.774 19012 30 1 1 . 1 1 7 7 LEU H H 7 8.626 8.626 8.502 0.124 19012 31 1 1 . 1 1 8 8 ASN N N 8 121.528 121.528 122.822 -1.294 19012 32 1 1 . 1 1 8 8 ASN HA H 8 4.611 4.611 5.114 -0.503 19012 33 1 1 . 1 1 8 8 ASN CA C 8 49.652 49.652 52.249 -2.597 19012 34 1 1 . 1 1 8 8 ASN CB C 8 38.102 38.102 41.247 -3.145 19012 35 1 1 . 1 1 8 8 ASN H H 8 9.218 9.218 8.733 0.485 19012 36 1 1 . 1 1 9 9 SER N N 9 109.319 109.319 113.669 -4.350 19012 37 1 1 . 1 1 9 9 SER HA H 9 4.045 4.045 4.329 -0.284 19012 38 1 1 . 1 1 9 9 SER CA C 9 58.381 58.381 60.880 -2.499 19012 39 1 1 . 1 1 9 9 SER CB C 9 60.521 60.521 62.781 -2.260 19012 40 1 1 . 1 1 9 9 SER H H 9 8.268 8.268 8.919 -0.651 19012 41 1 1 . 1 1 10 10 ASN N N 10 117.403 117.403 118.336 -0.933 19012 42 1 1 . 1 1 10 10 ASN HA H 10 4.872 4.872 4.877 -0.005 19012 43 1 1 . 1 1 10 10 ASN CA C 10 52.508 52.508 54.585 -2.077 19012 44 1 1 . 1 1 10 10 ASN CB C 10 37.905 37.905 40.653 -2.748 19012 45 1 1 . 1 1 10 10 ASN H H 10 8.610 8.610 8.483 0.127 19012 46 1 1 . 1 1 11 11 ASN N N 11 119.053 119.053 120.339 -1.286 19012 47 1 1 . 1 1 11 11 ASN HA H 11 4.396 4.396 4.693 -0.297 19012 48 1 1 . 1 1 11 11 ASN CA C 11 51.832 51.832 55.421 -3.589 19012 49 1 1 . 1 1 11 11 ASN CB C 11 34.355 34.355 37.973 -3.618 19012 50 1 1 . 1 1 11 11 ASN H H 11 8.614 8.614 8.393 0.221 19012 51 1 1 . 1 1 12 12 ILE N N 12 117.943 117.943 119.990 -2.047 19012 52 1 1 . 1 1 12 12 ILE HA H 12 4.185 4.185 4.214 -0.029 19012 53 1 1 . 1 1 12 12 ILE CA C 12 55.309 55.309 61.854 -6.545 19012 54 1 1 . 1 1 12 12 ILE CB C 12 36.651 36.651 38.317 -1.666 19012 55 1 1 . 1 1 12 12 ILE H H 12 7.041 7.041 7.428 -0.387 19012 56 1 1 . 1 1 13 13 ILE N N 13 118.354 118.354 120.069 -1.715 19012 57 1 1 . 1 1 13 13 ILE HA H 13 3.800 3.800 4.381 -0.581 19012 58 1 1 . 1 1 13 13 ILE CA C 13 58.469 58.469 61.162 -2.693 19012 59 1 1 . 1 1 13 13 ILE CB C 13 34.584 34.584 35.395 -0.811 19012 60 1 1 . 1 1 13 13 ILE H H 13 6.635 6.635 7.406 -0.771 19012 61 1 1 . 1 1 14 14 GLY N N 14 114.150 114.150 114.532 -0.382 19012 62 1 1 . 1 1 14 14 GLY CA C 14 41.496 41.496 44.684 -3.188 19012 63 1 1 . 1 1 14 14 GLY H H 14 8.842 8.842 8.727 0.115 19012 64 1 1 . 1 1 15 15 TYR N N 15 119.014 119.014 119.327 -0.313 19012 65 1 1 . 1 1 15 15 TYR HA H 15 4.961 4.961 4.995 -0.034 19012 66 1 1 . 1 1 15 15 TYR CA C 15 54.499 54.499 57.938 -3.439 19012 67 1 1 . 1 1 15 15 TYR CB C 15 38.075 38.075 41.215 -3.140 19012 68 1 1 . 1 1 15 15 TYR H H 15 8.264 8.264 8.367 -0.103 19012 69 1 1 . 1 1 16 16 TRP N N 16 124.101 124.101 119.441 4.660 19012 70 1 1 . 1 1 16 16 TRP HA H 16 5.175 5.175 5.432 -0.257 19012 71 1 1 . 1 1 16 16 TRP CA C 16 52.970 52.970 56.650 -3.680 19012 72 1 1 . 1 1 16 16 TRP CB C 16 28.341 28.341 32.561 -4.220 19012 73 1 1 . 1 1 16 16 TRP H H 16 9.497 9.497 8.987 0.510 19012 74 1 1 . 1 1 17 17 SER N N 17 115.863 115.863 117.865 -2.002 19012 75 1 1 . 1 1 17 17 SER HA H 17 6.272 6.272 5.261 1.011 19012 76 1 1 . 1 1 17 17 SER CA C 17 53.039 53.039 55.450 -2.411 19012 77 1 1 . 1 1 17 17 SER CB C 17 63.415 63.415 65.636 -2.221 19012 78 1 1 . 1 1 17 17 SER H H 17 9.182 9.182 8.999 0.183 19012 79 1 1 . 1 1 18 18 THR N N 18 119.520 119.520 116.697 2.823 19012 80 1 1 . 1 1 18 18 THR CB C 18 67.199 67.199 69.582 -2.383 19012 81 1 1 . 1 1 18 18 THR H H 18 8.996 8.996 8.817 0.179 19012 82 1 1 . 1 1 19 19 GLY N N 19 110.006 110.006 108.036 1.970 19012 83 1 1 . 1 1 19 19 GLY CA C 19 42.615 42.615 45.141 -2.526 19012 84 1 1 . 1 1 19 19 GLY H H 19 8.206 8.206 7.799 0.407 19012 85 1 1 . 1 1 20 20 ILE N N 20 111.313 111.313 113.318 -2.005 19012 86 1 1 . 1 1 20 20 ILE HA H 20 3.519 3.519 3.829 -0.310 19012 87 1 1 . 1 1 20 20 ILE CA C 20 57.765 57.765 60.308 -2.543 19012 88 1 1 . 1 1 20 20 ILE CB C 20 37.839 37.839 37.772 0.068 19012 89 1 1 . 1 1 20 20 ILE H H 20 7.953 7.953 8.097 -0.144 19012 90 1 1 . 1 1 21 21 GLU N N 21 119.547 119.547 120.158 -0.611 19012 91 1 1 . 1 1 21 21 GLU HA H 21 4.463 4.463 4.572 -0.109 19012 92 1 1 . 1 1 21 21 GLU CA C 21 52.227 52.227 54.941 -2.714 19012 93 1 1 . 1 1 21 21 GLU CB C 21 29.468 29.468 32.127 -2.659 19012 94 1 1 . 1 1 21 21 GLU H H 21 7.514 7.514 7.416 0.098 19012 95 1 1 . 1 1 22 22 GLY N N 22 109.534 109.534 109.831 -0.297 19012 96 1 1 . 1 1 22 22 GLY CA C 22 43.582 43.582 47.416 -3.834 19012 97 1 1 . 1 1 22 22 GLY H H 22 8.457 8.457 8.717 -0.260 19012 98 1 1 . 1 1 23 23 THR N N 23 124.632 124.632 118.018 6.614 19012 99 1 1 . 1 1 23 23 THR HA H 23 5.271 5.271 4.909 0.362 19012 100 1 1 . 1 1 23 23 THR CA C 23 60.060 60.060 61.954 -1.894 19012 101 1 1 . 1 1 23 23 THR CB C 23 65.680 65.680 69.760 -4.080 19012 102 1 1 . 1 1 23 23 THR H H 23 8.881 8.881 7.877 1.004 19012 103 1 1 . 1 1 24 24 HIS N N 24 122.881 122.881 122.341 0.540 19012 104 1 1 . 1 1 24 24 HIS HA H 24 4.780 4.780 5.138 -0.358 19012 105 1 1 . 1 1 24 24 HIS CA C 24 50.970 50.970 54.304 -3.334 19012 106 1 1 . 1 1 24 24 HIS CB C 24 27.898 27.898 31.724 -3.826 19012 107 1 1 . 1 1 24 24 HIS H H 24 8.919 8.919 8.078 0.841 19012 108 1 1 . 1 1 25 25 LYS N N 25 119.738 119.738 119.321 0.417 19012 109 1 1 . 1 1 25 25 LYS HA H 25 5.437 5.437 5.242 0.195 19012 110 1 1 . 1 1 25 25 LYS CA C 25 52.650 52.650 55.333 -2.683 19012 111 1 1 . 1 1 25 25 LYS CB C 25 33.277 33.277 36.088 -2.811 19012 112 1 1 . 1 1 25 25 LYS H H 25 8.816 8.816 8.864 -0.048 19012 113 1 1 . 1 1 26 26 LEU N N 26 126.017 126.017 122.436 3.581 19012 114 1 1 . 1 1 26 26 LEU HA H 26 5.825 5.825 5.194 0.631 19012 115 1 1 . 1 1 26 26 LEU CA C 26 51.614 51.614 53.161 -1.547 19012 116 1 1 . 1 1 26 26 LEU CB C 26 44.544 44.544 46.599 -2.055 19012 117 1 1 . 1 1 26 26 LEU H H 26 9.420 9.420 8.838 0.582 19012 118 1 1 . 1 1 27 27 LEU N N 27 128.825 128.825 122.685 6.140 19012 119 1 1 . 1 1 27 27 LEU HA H 27 5.417 5.417 5.321 0.096 19012 120 1 1 . 1 1 27 27 LEU CA C 27 50.740 50.740 53.381 -2.641 19012 121 1 1 . 1 1 27 27 LEU CB C 27 44.569 44.569 46.888 -2.319 19012 122 1 1 . 1 1 27 27 LEU H H 27 9.475 9.475 8.348 1.127 19012 123 1 1 . 1 1 28 28 SER N N 28 117.701 117.701 114.102 3.599 19012 124 1 1 . 1 1 28 28 SER HA H 28 5.337 5.337 4.877 0.460 19012 125 1 1 . 1 1 28 28 SER CA C 28 53.530 53.530 56.170 -2.640 19012 126 1 1 . 1 1 28 28 SER CB C 28 63.368 63.368 65.062 -1.694 19012 127 1 1 . 1 1 28 28 SER H H 28 8.859 8.859 8.207 0.652 19012 128 1 1 . 1 1 29 29 PHE N N 29 117.319 117.319 120.507 -3.188 19012 129 1 1 . 1 1 29 29 PHE HA H 29 4.679 4.679 4.885 -0.206 19012 130 1 1 . 1 1 29 29 PHE CA C 29 54.565 54.565 57.420 -2.855 19012 131 1 1 . 1 1 29 29 PHE CB C 29 39.104 39.104 42.982 -3.878 19012 132 1 1 . 1 1 29 29 PHE H H 29 8.401 8.401 8.387 0.014 19012 133 1 1 . 1 1 30 30 ASP N N 30 123.741 123.741 123.972 -0.231 19012 134 1 1 . 1 1 30 30 ASP HA H 30 5.217 5.217 5.074 0.143 19012 135 1 1 . 1 1 30 30 ASP CA C 30 50.408 50.408 52.924 -2.516 19012 136 1 1 . 1 1 30 30 ASP CB C 30 41.148 41.148 43.323 -2.175 19012 137 1 1 . 1 1 30 30 ASP H H 30 9.573 9.573 9.079 0.494 19012 138 1 1 . 1 1 31 31 GLU N N 31 127.123 127.123 119.861 7.262 19012 139 1 1 . 1 1 31 31 GLU HA H 31 4.127 4.127 4.321 -0.194 19012 140 1 1 . 1 1 31 31 GLU CA C 31 56.324 56.324 59.213 -2.889 19012 141 1 1 . 1 1 31 31 GLU CB C 31 27.283 27.283 30.273 -2.990 19012 142 1 1 . 1 1 31 31 GLU H H 31 9.718 9.718 8.684 1.034 19012 143 1 1 . 1 1 32 32 ASP N N 32 119.011 119.011 116.948 2.063 19012 144 1 1 . 1 1 32 32 ASP HA H 32 4.443 4.443 4.776 -0.333 19012 145 1 1 . 1 1 32 32 ASP CA C 32 50.919 50.919 54.019 -3.100 19012 146 1 1 . 1 1 32 32 ASP CB C 32 37.344 37.344 41.087 -3.743 19012 147 1 1 . 1 1 32 32 ASP H H 32 8.911 8.911 8.297 0.614 19012 148 1 1 . 1 1 33 33 GLY N N 33 106.215 106.215 109.546 -3.331 19012 149 1 1 . 1 1 33 33 GLY CA C 33 43.879 43.879 45.145 -1.266 19012 150 1 1 . 1 1 33 33 GLY H H 33 7.781 7.781 8.158 -0.377 19012 151 1 1 . 1 1 34 34 THR N N 34 111.570 111.570 113.564 -1.994 19012 152 1 1 . 1 1 34 34 THR HA H 34 5.474 5.474 4.620 0.854 19012 153 1 1 . 1 1 34 34 THR CA C 34 57.389 57.389 60.703 -3.313 19012 154 1 1 . 1 1 34 34 THR CB C 34 69.991 69.991 71.656 -1.665 19012 155 1 1 . 1 1 34 34 THR H H 34 7.863 7.863 7.679 0.184 19012 156 1 1 . 1 1 35 35 GLY N N 35 106.781 106.781 107.563 -0.782 19012 157 1 1 . 1 1 35 35 GLY CA C 35 43.233 43.233 43.223 0.010 19012 158 1 1 . 1 1 35 35 GLY H H 35 8.235 8.235 8.840 -0.605 19012 159 1 1 . 1 1 36 36 SER N N 36 113.807 113.807 113.649 0.158 19012 160 1 1 . 1 1 36 36 SER HA H 36 4.659 4.659 4.834 -0.175 19012 161 1 1 . 1 1 36 36 SER CA C 36 54.509 54.509 57.246 -2.737 19012 162 1 1 . 1 1 36 36 SER CB C 36 64.821 64.821 66.953 -2.132 19012 163 1 1 . 1 1 36 36 SER H H 36 8.182 8.182 7.780 0.402 19012 164 1 1 . 1 1 37 37 PHE N N 37 120.041 120.041 124.543 -4.502 19012 165 1 1 . 1 1 37 37 PHE HA H 37 5.885 5.885 5.263 0.622 19012 166 1 1 . 1 1 37 37 PHE CA C 37 52.308 52.308 55.388 -3.080 19012 167 1 1 . 1 1 37 37 PHE CB C 37 41.174 41.174 43.111 -1.937 19012 168 1 1 . 1 1 37 37 PHE H H 37 8.829 8.829 8.787 0.042 19012 169 1 1 . 1 1 38 38 GLY N N 38 115.263 115.263 113.507 1.756 19012 170 1 1 . 1 1 38 38 GLY CA C 38 42.092 42.092 43.102 -1.010 19012 171 1 1 . 1 1 38 38 GLY H H 38 8.936 8.936 9.241 -0.305 19012 172 1 1 . 1 1 39 39 ILE N N 39 119.791 119.791 120.075 -0.284 19012 173 1 1 . 1 1 39 39 ILE HA H 39 4.292 4.292 4.792 -0.500 19012 174 1 1 . 1 1 39 39 ILE CA C 39 58.280 58.280 60.443 -2.163 19012 175 1 1 . 1 1 39 39 ILE CB C 39 36.838 36.838 41.549 -4.711 19012 176 1 1 . 1 1 39 39 ILE H H 39 7.724 7.724 7.515 0.209 19012 177 1 1 . 1 1 40 40 TYR N N 40 125.748 125.748 124.454 1.294 19012 178 1 1 . 1 1 40 40 TYR HA H 40 4.742 4.742 5.225 -0.483 19012 179 1 1 . 1 1 40 40 TYR CA C 40 53.881 53.881 56.128 -2.247 19012 180 1 1 . 1 1 40 40 TYR CB C 40 39.894 39.894 42.157 -2.263 19012 181 1 1 . 1 1 40 40 TYR H H 40 8.782 8.782 9.096 -0.314 19012 182 1 1 . 1 1 41 41 SER N N 41 114.721 114.721 115.218 -0.497 19012 183 1 1 . 1 1 41 41 SER HA H 41 4.689 4.689 5.004 -0.315 19012 184 1 1 . 1 1 41 41 SER CA C 41 53.337 53.337 56.677 -3.340 19012 185 1 1 . 1 1 41 41 SER CB C 41 60.205 60.205 64.876 -4.670 19012 186 1 1 . 1 1 41 41 SER H H 41 8.708 8.708 8.602 0.106 19012 187 1 1 . 1 1 42 42 ASN N N 42 124.063 124.063 126.137 -2.074 19012 188 1 1 . 1 1 42 42 ASN HA H 42 4.298 4.298 4.344 -0.046 19012 189 1 1 . 1 1 42 42 ASN CA C 42 54.083 54.083 56.890 -2.807 19012 190 1 1 . 1 1 42 42 ASN CB C 42 34.720 34.720 38.421 -3.701 19012 191 1 1 . 1 1 42 42 ASN H H 42 9.239 9.239 9.298 -0.059 19012 192 1 1 . 1 1 43 43 ALA N N 43 125.505 125.505 122.277 3.228 19012 193 1 1 . 1 1 43 43 ALA HA H 43 4.576 4.576 4.779 -0.203 19012 194 1 1 . 1 1 43 43 ALA CA C 43 50.170 50.170 51.974 -1.804 19012 195 1 1 . 1 1 43 43 ALA CB C 43 16.678 16.678 20.354 -3.676 19012 196 1 1 . 1 1 43 43 ALA H H 43 8.468 8.468 8.010 0.458 19012 197 1 1 . 1 1 44 44 THR N N 44 119.056 119.056 116.239 2.817 19012 198 1 1 . 1 1 44 44 THR HA H 44 4.550 4.550 4.796 -0.246 19012 199 1 1 . 1 1 44 44 THR CA C 44 58.028 58.028 59.897 -1.869 19012 200 1 1 . 1 1 44 44 THR CB C 44 68.176 68.176 70.575 -2.399 19012 201 1 1 . 1 1 44 44 THR H H 44 8.420 8.420 7.984 0.436 19012 202 1 1 . 1 1 45 45 PRO HA H 45 3.797 3.797 3.690 0.107 19012 203 1 1 . 1 1 45 45 PRO CA C 45 60.280 60.280 62.902 -2.622 19012 204 1 1 . 1 1 45 45 PRO CB C 45 28.488 28.488 31.936 -3.448 19012 205 1 1 . 1 1 46 46 ILE N N 46 124.607 124.607 122.788 1.819 19012 206 1 1 . 1 1 46 46 ILE HA H 46 4.023 4.023 4.270 -0.247 19012 207 1 1 . 1 1 46 46 ILE CA C 46 58.609 58.609 60.939 -2.330 19012 208 1 1 . 1 1 46 46 ILE CB C 46 35.652 35.652 39.223 -3.571 19012 209 1 1 . 1 1 46 46 ILE H H 46 8.998 8.998 8.522 0.476 19012 210 1 1 . 1 1 47 47 SER N N 47 112.826 112.826 115.336 -2.510 19012 211 1 1 . 1 1 47 47 SER HA H 47 4.474 4.474 4.696 -0.222 19012 212 1 1 . 1 1 47 47 SER CA C 47 54.926 54.926 57.354 -2.428 19012 213 1 1 . 1 1 47 47 SER CB C 47 62.419 62.419 64.929 -2.510 19012 214 1 1 . 1 1 47 47 SER H H 47 7.439 7.439 7.590 -0.151 19012 215 1 1 . 1 1 48 48 PHE N N 48 123.266 123.266 120.681 2.585 19012 216 1 1 . 1 1 48 48 PHE HA H 48 5.194 5.194 4.843 0.351 19012 217 1 1 . 1 1 48 48 PHE CA C 48 55.624 55.624 57.524 -1.900 19012 218 1 1 . 1 1 48 48 PHE CB C 48 40.000 40.000 41.919 -1.919 19012 219 1 1 . 1 1 48 48 PHE H H 48 8.238 8.238 8.305 -0.067 19012 220 1 1 . 1 1 49 49 GLN N N 49 123.564 123.564 120.869 2.695 19012 221 1 1 . 1 1 49 49 GLN HA H 49 4.935 4.935 4.258 0.677 19012 222 1 1 . 1 1 49 49 GLN CA C 49 51.294 51.294 53.994 -2.700 19012 223 1 1 . 1 1 49 49 GLN CB C 49 29.688 29.688 32.204 -2.516 19012 224 1 1 . 1 1 49 49 GLN H H 49 8.607 8.607 8.083 0.524 19012 225 1 1 . 1 1 50 50 MET N N 50 120.626 120.626 117.534 3.092 19012 226 1 1 . 1 1 50 50 MET HA H 50 4.637 4.637 4.633 0.004 19012 227 1 1 . 1 1 50 50 MET CA C 50 51.562 51.562 54.406 -2.844 19012 228 1 1 . 1 1 50 50 MET CB C 50 33.549 33.549 37.975 -4.426 19012 229 1 1 . 1 1 50 50 MET H H 50 9.071 9.071 8.138 0.933 19012 230 1 1 . 1 1 51 51 PHE N N 51 112.996 112.996 114.134 -1.138 19012 231 1 1 . 1 1 51 51 PHE HA H 51 4.928 4.928 5.135 -0.207 19012 232 1 1 . 1 1 51 51 PHE CA C 51 53.899 53.899 56.617 -2.717 19012 233 1 1 . 1 1 51 51 PHE CB C 51 38.018 38.018 41.111 -3.092 19012 234 1 1 . 1 1 52 52 ASP N N 52 118.727 118.727 120.856 -2.129 19012 235 1 1 . 1 1 52 52 ASP HA H 52 5.640 5.640 4.785 0.855 19012 236 1 1 . 1 1 52 52 ASP CA C 52 50.264 50.264 55.700 -5.436 19012 237 1 1 . 1 1 52 52 ASP CB C 52 38.971 38.971 42.626 -3.655 19012 238 1 1 . 1 1 52 52 ASP H H 52 8.469 8.469 8.059 0.410 19012 239 1 1 . 1 1 53 53 TYR N N 53 115.709 115.709 115.904 -0.195 19012 240 1 1 . 1 1 53 53 TYR HA H 53 6.351 6.351 5.598 0.753 19012 241 1 1 . 1 1 53 53 TYR CA C 53 53.296 53.296 56.073 -2.777 19012 242 1 1 . 1 1 53 53 TYR CB C 53 40.764 40.764 42.096 -1.333 19012 243 1 1 . 1 1 53 53 TYR H H 53 8.725 8.725 8.116 0.609 19012 244 1 1 . 1 1 54 54 LYS N N 54 118.766 118.766 119.210 -0.444 19012 245 1 1 . 1 1 54 54 LYS HA H 54 4.445 4.445 4.669 -0.224 19012 246 1 1 . 1 1 54 54 LYS CA C 54 52.187 52.187 54.127 -1.940 19012 247 1 1 . 1 1 54 54 LYS CB C 54 34.819 34.819 37.346 -2.527 19012 248 1 1 . 1 1 54 54 LYS H H 54 8.972 8.972 8.823 0.149 19012 249 1 1 . 1 1 55 55 ILE N N 55 122.406 122.406 121.972 0.434 19012 250 1 1 . 1 1 55 55 ILE HA H 55 4.796 4.796 5.115 -0.319 19012 251 1 1 . 1 1 55 55 ILE CA C 55 56.172 56.172 59.782 -3.610 19012 252 1 1 . 1 1 55 55 ILE CB C 55 33.404 33.404 36.868 -3.465 19012 253 1 1 . 1 1 55 55 ILE H H 55 8.832 8.832 8.814 0.018 19012 254 1 1 . 1 1 56 56 GLU N N 56 128.507 128.507 123.728 4.779 19012 255 1 1 . 1 1 56 56 GLU HA H 56 4.575 4.575 4.611 -0.036 19012 256 1 1 . 1 1 56 56 GLU CA C 56 52.300 52.300 56.116 -3.816 19012 257 1 1 . 1 1 56 56 GLU CB C 56 30.432 30.432 30.564 -0.132 19012 258 1 1 . 1 1 56 56 GLU H H 56 8.787 8.787 8.959 -0.172 19012 259 1 1 . 1 1 57 57 GLU N N 57 125.606 125.606 119.571 6.035 19012 260 1 1 . 1 1 57 57 GLU HA H 57 3.809 3.809 4.419 -0.610 19012 261 1 1 . 1 1 57 57 GLU CA C 57 54.254 54.254 56.635 -2.381 19012 262 1 1 . 1 1 57 57 GLU CB C 57 25.445 25.445 29.750 -4.305 19012 263 1 1 . 1 1 57 57 GLU H H 57 9.296 9.296 8.071 1.225 19012 264 1 1 . 1 1 58 58 GLY N N 58 103.913 103.913 107.845 -3.932 19012 265 1 1 . 1 1 58 58 GLY CA C 58 43.401 43.401 45.808 -2.407 19012 266 1 1 . 1 1 58 58 GLY H H 58 8.267 8.267 8.574 -0.307 19012 267 1 1 . 1 1 59 59 ARG N N 59 119.125 119.125 116.658 2.467 19012 268 1 1 . 1 1 59 59 ARG HA H 59 4.787 4.787 4.698 0.089 19012 269 1 1 . 1 1 59 59 ARG CA C 59 51.812 51.812 53.916 -2.104 19012 270 1 1 . 1 1 59 59 ARG CB C 59 32.023 32.023 33.898 -1.875 19012 271 1 1 . 1 1 59 59 ARG H H 59 7.840 7.840 7.593 0.247 19012 272 1 1 . 1 1 60 60 ILE N N 60 118.464 118.464 120.339 -1.875 19012 273 1 1 . 1 1 60 60 ILE HA H 60 4.409 4.409 4.349 0.060 19012 274 1 1 . 1 1 60 60 ILE CA C 60 58.461 58.461 62.293 -3.832 19012 275 1 1 . 1 1 60 60 ILE CB C 60 36.943 36.943 38.176 -1.233 19012 276 1 1 . 1 1 60 60 ILE H H 60 8.150 8.150 8.084 0.066 19012 277 1 1 . 1 1 61 61 TYR N N 61 130.267 130.267 129.610 0.657 19012 278 1 1 . 1 1 61 61 TYR HA H 61 4.399 4.399 4.706 -0.307 19012 279 1 1 . 1 1 61 61 TYR CA C 61 53.435 53.435 55.590 -2.155 19012 280 1 1 . 1 1 61 61 TYR CB C 61 37.443 37.443 39.697 -2.254 19012 281 1 1 . 1 1 61 61 TYR H H 61 9.304 9.304 9.012 0.292 19012 282 1 1 . 1 1 62 62 ILE N N 62 129.152 129.152 127.583 1.569 19012 283 1 1 . 1 1 62 62 ILE HA H 62 4.035 4.035 4.104 -0.069 19012 284 1 1 . 1 1 62 62 ILE CA C 62 55.538 55.538 58.315 -2.777 19012 285 1 1 . 1 1 62 62 ILE CB C 62 33.654 33.654 37.864 -4.210 19012 286 1 1 . 1 1 62 62 ILE H H 62 8.326 8.326 8.616 -0.290 19012 287 1 1 . 1 1 63 63 TYR N N 63 119.836 119.836 120.038 -0.202 19012 288 1 1 . 1 1 63 63 TYR HA H 63 4.563 4.563 4.481 0.082 19012 289 1 1 . 1 1 63 63 TYR CA C 63 52.035 52.035 56.467 -4.431 19012 290 1 1 . 1 1 63 63 TYR CB C 63 36.267 36.267 39.928 -3.661 19012 291 1 1 . 1 1 63 63 TYR H H 63 8.397 8.397 8.012 0.385 19012 292 1 1 . 1 1 64 64 ASP N N 64 117.747 117.747 121.171 -3.424 19012 293 1 1 . 1 1 64 64 ASP HA H 64 4.270 4.270 4.746 -0.476 19012 294 1 1 . 1 1 64 64 ASP CA C 64 51.384 51.384 54.106 -2.722 19012 295 1 1 . 1 1 64 64 ASP CB C 64 35.510 35.510 42.951 -7.441 19012 296 1 1 . 1 1 64 64 ASP H H 64 8.570 8.570 7.613 0.957 19012 297 1 1 . 1 1 65 65 VAL N N 65 117.619 117.619 123.291 -5.672 19012 298 1 1 . 1 1 65 65 VAL HA H 65 4.329 4.329 5.132 -0.803 19012 299 1 1 . 1 1 65 65 VAL CA C 65 61.015 61.015 60.437 0.578 19012 300 1 1 . 1 1 65 65 VAL CB C 65 29.350 29.350 35.338 -5.988 19012 301 1 1 . 1 1 65 65 VAL H H 65 8.116 8.116 8.228 -0.112 19012 302 1 1 . 1 1 66 66 TYR N N 66 127.317 127.317 123.732 3.585 19012 303 1 1 . 1 1 66 66 TYR HA H 66 4.567 4.567 5.047 -0.480 19012 304 1 1 . 1 1 66 66 TYR CA C 66 53.116 53.116 55.908 -2.792 19012 305 1 1 . 1 1 66 66 TYR CB C 66 39.090 39.090 40.304 -1.214 19012 306 1 1 . 1 1 66 66 TYR H H 66 8.911 8.911 8.317 0.594 19012 307 1 1 . 1 1 67 67 PRO HA H 67 3.778 3.778 4.425 -0.647 19012 308 1 1 . 1 1 67 67 PRO CA C 67 60.736 60.736 63.973 -3.237 19012 309 1 1 . 1 1 67 67 PRO CB C 67 32.039 32.039 31.811 0.229 19012 310 1 1 . 1 1 68 68 ASP N N 68 122.446 122.446 120.574 1.872 19012 311 1 1 . 1 1 68 68 ASP HA H 68 4.595 4.595 4.718 -0.123 19012 312 1 1 . 1 1 68 68 ASP CA C 68 51.405 51.405 53.626 -2.221 19012 313 1 1 . 1 1 68 68 ASP CB C 68 37.732 37.732 40.438 -2.706 19012 314 1 1 . 1 1 68 68 ASP H H 68 8.017 8.017 7.861 0.156 19012 315 1 1 . 1 1 69 69 GLU N N 69 121.842 121.842 122.565 -0.723 19012 316 1 1 . 1 1 69 69 GLU HA H 69 4.167 4.167 4.156 0.011 19012 317 1 1 . 1 1 69 69 GLU CA C 69 54.191 54.191 56.333 -2.142 19012 318 1 1 . 1 1 69 69 GLU CB C 69 27.200 27.200 30.452 -3.252 19012 319 1 1 . 1 1 69 69 GLU H H 69 8.109 8.109 8.422 -0.313 19012 320 1 1 . 1 1 70 70 LYS N N 70 121.975 121.975 122.677 -0.702 19012 321 1 1 . 1 1 70 70 LYS HA H 70 4.532 4.532 4.450 0.082 19012 322 1 1 . 1 1 70 70 LYS CA C 70 52.097 52.097 54.839 -2.742 19012 323 1 1 . 1 1 70 70 LYS CB C 70 33.247 33.247 33.923 -0.676 19012 324 1 1 . 1 1 70 70 LYS H H 70 7.646 7.646 8.146 -0.500 19012 325 1 1 . 1 1 71 71 THR N N 71 120.177 120.177 117.250 2.927 19012 326 1 1 . 1 1 71 71 THR HA H 71 4.386 4.386 4.311 0.075 19012 327 1 1 . 1 1 71 71 THR CA C 71 58.759 58.759 60.710 -1.951 19012 328 1 1 . 1 1 71 71 THR CB C 71 66.724 66.724 69.380 -2.656 19012 329 1 1 . 1 1 71 71 THR H H 71 8.258 8.258 8.361 -0.103 19012 330 1 1 . 1 1 72 72 PRO HA H 72 4.389 4.389 4.228 0.161 19012 331 1 1 . 1 1 72 72 PRO CA C 72 61.688 61.688 62.907 -1.219 19012 332 1 1 . 1 1 72 72 PRO CB C 72 31.440 31.440 32.324 -0.884 19012 333 1 1 . 1 1 73 73 TYR N N 73 118.747 118.747 119.667 -0.920 19012 334 1 1 . 1 1 73 73 TYR HA H 73 4.857 4.857 4.875 -0.018 19012 335 1 1 . 1 1 73 73 TYR CA C 73 52.643 52.643 55.573 -2.930 19012 336 1 1 . 1 1 73 73 TYR CB C 73 37.470 37.470 39.393 -1.923 19012 337 1 1 . 1 1 73 73 TYR H H 73 7.988 7.988 7.978 0.010 19012 338 1 1 . 1 1 74 74 TYR N N 74 114.692 114.692 118.143 -3.451 19012 339 1 1 . 1 1 74 74 TYR HA H 74 5.548 5.548 5.815 -0.267 19012 340 1 1 . 1 1 74 74 TYR CA C 74 53.855 53.855 56.885 -3.030 19012 341 1 1 . 1 1 74 74 TYR CB C 74 39.316 39.316 41.780 -2.464 19012 342 1 1 . 1 1 74 74 TYR H H 74 8.370 8.370 8.534 -0.164 19012 343 1 1 . 1 1 75 75 LEU N N 75 120.717 120.717 123.310 -2.593 19012 344 1 1 . 1 1 75 75 LEU HA H 75 4.456 4.456 4.692 -0.236 19012 345 1 1 . 1 1 75 75 LEU CA C 75 50.648 50.648 53.699 -3.051 19012 346 1 1 . 1 1 75 75 LEU CB C 75 41.979 41.979 44.663 -2.683 19012 347 1 1 . 1 1 75 75 LEU H H 75 9.467 9.467 9.036 0.431 19012 348 1 1 . 1 1 76 76 ASP N N 76 123.675 123.675 126.364 -2.689 19012 349 1 1 . 1 1 76 76 ASP HA H 76 5.041 5.041 4.592 0.449 19012 350 1 1 . 1 1 76 76 ASP CA C 76 51.324 51.324 55.855 -4.531 19012 351 1 1 . 1 1 76 76 ASP CB C 76 39.376 39.376 40.894 -1.518 19012 352 1 1 . 1 1 76 76 ASP H H 76 7.825 7.825 8.838 -1.013 19012 353 1 1 . 1 1 77 77 CYS N N 77 118.147 118.147 118.600 -0.453 19012 354 1 1 . 1 1 77 77 CYS HA H 77 5.514 5.514 5.157 0.357 19012 355 1 1 . 1 1 77 77 CYS CA C 77 53.205 53.205 55.729 -2.524 19012 356 1 1 . 1 1 77 77 CYS CB C 77 30.347 30.347 31.987 -1.640 19012 357 1 1 . 1 1 77 77 CYS H H 77 8.504 8.504 8.263 0.241 19012 358 1 1 . 1 1 78 78 LYS N N 78 119.791 119.791 118.470 1.321 19012 359 1 1 . 1 1 78 78 LYS HA H 78 4.398 4.398 4.440 -0.042 19012 360 1 1 . 1 1 78 78 LYS CA C 78 52.033 52.033 54.492 -2.459 19012 361 1 1 . 1 1 78 78 LYS CB C 78 33.618 33.618 35.447 -1.829 19012 362 1 1 . 1 1 78 78 LYS H H 78 8.483 8.483 8.451 0.032 19012 363 1 1 . 1 1 79 79 ILE N N 79 122.179 122.179 119.455 2.724 19012 364 1 1 . 1 1 79 79 ILE HA H 79 5.410 5.410 4.910 0.500 19012 365 1 1 . 1 1 79 79 ILE CA C 79 56.581 56.581 59.775 -3.194 19012 366 1 1 . 1 1 79 79 ILE CB C 79 41.302 41.302 41.911 -0.609 19012 367 1 1 . 1 1 79 79 ILE H H 79 8.923 8.923 8.459 0.464 19012 368 1 1 . 1 1 80 80 SER N N 80 122.640 122.640 120.572 2.068 19012 369 1 1 . 1 1 80 80 SER HA H 80 4.760 4.760 4.924 -0.164 19012 370 1 1 . 1 1 80 80 SER CB C 80 62.504 62.504 65.090 -2.586 19012 371 1 1 . 1 1 80 80 SER H H 80 9.150 9.150 9.426 -0.276 19012 372 1 1 . 1 1 81 81 GLY N N 81 111.781 111.781 110.765 1.016 19012 373 1 1 . 1 1 81 81 GLY CA C 81 44.910 44.910 46.333 -1.423 19012 374 1 1 . 1 1 81 81 GLY H H 81 8.832 8.832 8.391 0.441 19012 375 1 1 . 1 1 82 82 THR N N 82 110.902 110.902 112.527 -1.625 19012 376 1 1 . 1 1 82 82 THR HA H 82 4.541 4.541 4.658 -0.117 19012 377 1 1 . 1 1 82 82 THR CA C 82 58.833 58.833 62.352 -3.519 19012 378 1 1 . 1 1 82 82 THR H H 82 8.284 8.284 8.062 0.222 19012 379 1 1 . 1 1 83 83 THR N N 83 119.808 119.808 120.151 -0.343 19012 380 1 1 . 1 1 83 83 THR HA H 83 5.576 5.576 5.169 0.407 19012 381 1 1 . 1 1 83 83 THR CA C 83 59.711 59.711 62.043 -2.332 19012 382 1 1 . 1 1 83 83 THR CB C 83 68.486 68.486 70.108 -1.622 19012 383 1 1 . 1 1 83 83 THR H H 83 8.178 8.178 7.964 0.214 19012 384 1 1 . 1 1 84 84 LEU N N 84 128.946 128.946 129.757 -0.811 19012 385 1 1 . 1 1 84 84 LEU HA H 84 4.787 4.787 4.182 0.605 19012 386 1 1 . 1 1 84 84 LEU CA C 84 50.979 50.979 53.954 -2.975 19012 387 1 1 . 1 1 84 84 LEU CB C 84 43.114 43.114 42.486 0.628 19012 388 1 1 . 1 1 84 84 LEU H H 84 9.103 9.103 9.434 -0.331 19012 389 1 1 . 1 1 85 85 LYS N N 85 129.439 129.439 128.787 0.652 19012 390 1 1 . 1 1 85 85 LYS HA H 85 5.220 5.220 4.513 0.707 19012 391 1 1 . 1 1 85 85 LYS CA C 85 52.028 52.028 54.736 -2.708 19012 392 1 1 . 1 1 85 85 LYS CB C 85 32.656 32.656 33.528 -0.872 19012 393 1 1 . 1 1 85 85 LYS H H 85 9.336 9.336 8.568 0.768 19012 394 1 1 . 1 1 86 86 VAL N N 86 127.719 127.719 127.559 0.160 19012 395 1 1 . 1 1 86 86 VAL HA H 86 4.279 4.279 3.870 0.409 19012 396 1 1 . 1 1 86 86 VAL CA C 86 59.179 59.179 62.719 -3.540 19012 397 1 1 . 1 1 86 86 VAL CB C 86 29.826 29.826 31.865 -2.039 19012 398 1 1 . 1 1 86 86 VAL H H 86 9.122 9.122 8.187 0.935 19012 399 1 1 . 1 1 87 87 GLU N N 87 126.504 126.504 127.053 -0.549 19012 400 1 1 . 1 1 87 87 GLU HA H 87 4.215 4.215 4.331 -0.116 19012 401 1 1 . 1 1 87 87 GLU CA C 87 55.427 55.427 57.543 -2.116 19012 402 1 1 . 1 1 87 87 GLU CB C 87 29.038 29.038 30.593 -1.555 19012 403 1 1 . 1 1 87 87 GLU H H 87 8.960 8.960 8.902 0.058 19012 404 1 1 . 1 1 88 88 THR N N 88 109.146 109.146 113.179 -4.033 19012 405 1 1 . 1 1 88 88 THR HA H 88 4.560 4.560 4.432 0.128 19012 406 1 1 . 1 1 88 88 THR CA C 88 57.802 57.802 61.419 -3.617 19012 407 1 1 . 1 1 88 88 THR CB C 88 69.805 69.805 71.203 -1.398 19012 408 1 1 . 1 1 88 88 THR H H 88 7.079 7.079 7.468 -0.389 19012 409 1 1 . 1 1 89 89 GLY N N 89 102.665 102.665 112.574 -9.909 19012 410 1 1 . 1 1 89 89 GLY CA C 89 42.083 42.083 44.511 -2.428 19012 411 1 1 . 1 1 89 89 GLY H H 89 7.984 7.984 8.034 -0.050 19012 412 1 1 . 1 1 90 90 SER N N 90 118.973 118.973 116.219 2.754 19012 413 1 1 . 1 1 90 90 SER HA H 90 4.103 4.103 4.162 -0.058 19012 414 1 1 . 1 1 90 90 SER CA C 90 58.840 58.840 61.407 -2.567 19012 415 1 1 . 1 1 90 90 SER CB C 90 60.079 60.079 63.417 -3.338 19012 416 1 1 . 1 1 90 90 SER H H 90 8.854 8.854 8.839 0.015 19012 417 1 1 . 1 1 91 91 GLU N N 91 120.699 120.699 118.105 2.594 19012 418 1 1 . 1 1 91 91 GLU HA H 91 3.676 3.676 4.438 -0.762 19012 419 1 1 . 1 1 91 91 GLU CA C 91 54.571 54.571 55.229 -0.658 19012 420 1 1 . 1 1 91 91 GLU CB C 91 26.627 26.627 29.220 -2.593 19012 421 1 1 . 1 1 91 91 GLU H H 91 10.220 10.220 8.378 1.842 19012 422 1 1 . 1 1 92 92 ALA N N 92 121.411 121.411 123.245 -1.834 19012 423 1 1 . 1 1 92 92 ALA HA H 92 3.691 3.691 4.149 -0.458 19012 424 1 1 . 1 1 92 92 ALA CA C 92 50.916 50.916 53.204 -2.288 19012 425 1 1 . 1 1 92 92 ALA CB C 92 16.118 16.118 18.504 -2.386 19012 426 1 1 . 1 1 92 92 ALA H H 92 7.014 7.014 7.208 -0.194 19012 427 1 1 . 1 1 93 93 GLY N N 93 109.056 109.056 110.862 -1.806 19012 428 1 1 . 1 1 93 93 GLY CA C 93 42.601 42.601 45.481 -2.881 19012 429 1 1 . 1 1 93 93 GLY H H 93 8.706 8.706 8.056 0.650 19012 430 1 1 . 1 1 94 94 THR N N 94 117.255 117.255 117.038 0.217 19012 431 1 1 . 1 1 94 94 THR HA H 94 4.831 4.831 5.131 -0.300 19012 432 1 1 . 1 1 94 94 THR CA C 94 60.491 60.491 61.010 -0.519 19012 433 1 1 . 1 1 94 94 THR CB C 94 66.403 66.403 70.294 -3.891 19012 434 1 1 . 1 1 94 94 THR H H 94 8.637 8.637 7.650 0.987 19012 435 1 1 . 1 1 95 95 TYR N N 95 127.051 127.051 123.003 4.048 19012 436 1 1 . 1 1 95 95 TYR HA H 95 4.564 4.564 4.965 -0.401 19012 437 1 1 . 1 1 95 95 TYR CA C 95 53.889 53.889 56.716 -2.827 19012 438 1 1 . 1 1 95 95 TYR CB C 95 39.733 39.733 42.575 -2.842 19012 439 1 1 . 1 1 95 95 TYR H H 95 10.060 10.060 8.756 1.304 19012 440 1 1 . 1 1 96 96 LYS N N 96 119.487 119.487 121.123 -1.636 19012 441 1 1 . 1 1 96 96 LYS HA H 96 5.668 5.668 5.532 0.136 19012 442 1 1 . 1 1 96 96 LYS CA C 96 50.781 50.781 54.010 -3.229 19012 443 1 1 . 1 1 96 96 LYS CB C 96 31.840 31.840 34.066 -2.226 19012 444 1 1 . 1 1 96 96 LYS H H 96 8.960 8.960 9.127 -0.167 19012 445 1 1 . 1 1 97 97 LYS N N 97 128.866 128.866 123.837 5.029 19012 446 1 1 . 1 1 97 97 LYS HA H 97 3.701 3.701 3.460 0.241 19012 447 1 1 . 1 1 97 97 LYS CA C 97 55.022 55.022 57.179 -2.157 19012 448 1 1 . 1 1 97 97 LYS CB C 97 30.744 30.744 32.518 -1.774 19012 449 1 1 . 1 1 97 97 LYS H H 97 8.729 8.729 8.355 0.374 19012 450 1 1 . 1 1 98 98 GLN N N 98 127.056 127.056 122.569 4.487 19012 451 1 1 . 1 1 98 98 GLN HA H 98 4.244 4.244 4.421 -0.177 19012 452 1 1 . 1 1 98 98 GLN CA C 98 52.689 52.689 54.826 -2.137 19012 453 1 1 . 1 1 98 98 GLN CB C 98 28.065 28.065 29.409 -1.344 19012 454 1 1 . 1 1 98 98 GLN H H 98 8.992 8.992 8.270 0.722 19012 455 1 2 . 1 1 2 2 GLU N N 2 119.968 119.968 121.587 -1.619 19012 456 1 2 . 1 1 2 2 GLU HA H 2 4.009 4.009 4.183 -0.174 19012 457 1 2 . 1 1 2 2 GLU CA C 2 53.190 53.190 55.564 -2.374 19012 458 1 2 . 1 1 2 2 GLU CB C 2 27.574 27.574 31.705 -4.131 19012 459 1 2 . 1 1 2 2 GLU H H 2 8.212 8.212 8.301 -0.089 19012 460 1 2 . 1 1 3 3 ASP N N 3 122.057 122.057 123.737 -1.680 19012 461 1 2 . 1 1 3 3 ASP HA H 3 4.509 4.509 4.691 -0.182 19012 462 1 2 . 1 1 3 3 ASP CA C 3 50.691 50.691 54.465 -3.774 19012 463 1 2 . 1 1 3 3 ASP CB C 3 38.121 38.121 40.981 -2.860 19012 464 1 2 . 1 1 3 3 ASP H H 3 8.209 8.209 8.442 -0.233 19012 465 1 2 . 1 1 4 4 TRP N N 4 121.397 121.397 126.229 -4.832 19012 466 1 2 . 1 1 4 4 TRP HA H 4 4.749 4.749 5.065 -0.316 19012 467 1 2 . 1 1 4 4 TRP CA C 4 53.792 53.792 56.338 -2.546 19012 468 1 2 . 1 1 4 4 TRP CB C 4 27.994 27.994 31.009 -3.015 19012 469 1 2 . 1 1 4 4 TRP H H 4 7.614 7.614 8.466 -0.852 19012 470 1 2 . 1 1 5 5 THR N N 5 117.669 117.669 114.612 3.057 19012 471 1 2 . 1 1 5 5 THR HA H 5 4.733 4.733 4.683 0.050 19012 472 1 2 . 1 1 5 5 THR CA C 5 57.170 57.170 60.854 -3.684 19012 473 1 2 . 1 1 5 5 THR CB C 5 68.444 68.444 70.441 -1.997 19012 474 1 2 . 1 1 5 5 THR H H 5 9.387 9.387 9.158 0.229 19012 475 1 2 . 1 1 6 6 GLU N N 6 121.359 121.359 121.309 0.050 19012 476 1 2 . 1 1 6 6 GLU HA H 6 4.283 4.283 4.169 0.114 19012 477 1 2 . 1 1 6 6 GLU CA C 6 53.743 53.743 56.779 -3.036 19012 478 1 2 . 1 1 6 6 GLU CB C 6 28.184 28.184 29.949 -1.765 19012 479 1 2 . 1 1 6 6 GLU H H 6 8.027 8.027 8.692 -0.665 19012 480 1 2 . 1 1 7 7 LEU N N 7 126.701 126.701 128.068 -1.367 19012 481 1 2 . 1 1 7 7 LEU HA H 7 4.217 4.217 4.278 -0.061 19012 482 1 2 . 1 1 7 7 LEU CA C 7 52.720 52.720 55.513 -2.793 19012 483 1 2 . 1 1 7 7 LEU CB C 7 40.595 40.595 41.847 -1.252 19012 484 1 2 . 1 1 7 7 LEU H H 7 8.626 8.626 8.563 0.063 19012 485 1 2 . 1 1 8 8 ASN N N 8 121.528 121.528 122.511 -0.983 19012 486 1 2 . 1 1 8 8 ASN HA H 8 4.611 4.611 5.002 -0.391 19012 487 1 2 . 1 1 8 8 ASN CA C 8 49.652 49.652 51.539 -1.887 19012 488 1 2 . 1 1 8 8 ASN CB C 8 38.102 38.102 41.376 -3.274 19012 489 1 2 . 1 1 8 8 ASN H H 8 9.218 9.218 7.704 1.514 19012 490 1 2 . 1 1 9 9 SER N N 9 109.319 109.319 114.265 -4.946 19012 491 1 2 . 1 1 9 9 SER HA H 9 4.045 4.045 4.355 -0.310 19012 492 1 2 . 1 1 9 9 SER CA C 9 58.381 58.381 60.654 -2.273 19012 493 1 2 . 1 1 9 9 SER CB C 9 60.521 60.521 63.042 -2.521 19012 494 1 2 . 1 1 9 9 SER H H 9 8.268 8.268 8.799 -0.531 19012 495 1 2 . 1 1 10 10 ASN N N 10 117.403 117.403 118.540 -1.137 19012 496 1 2 . 1 1 10 10 ASN HA H 10 4.872 4.872 4.858 0.014 19012 497 1 2 . 1 1 10 10 ASN CA C 10 52.508 52.508 54.598 -2.090 19012 498 1 2 . 1 1 10 10 ASN CB C 10 37.905 37.905 39.165 -1.260 19012 499 1 2 . 1 1 10 10 ASN H H 10 8.610 8.610 8.630 -0.020 19012 500 1 2 . 1 1 11 11 ASN N N 11 119.053 119.053 120.215 -1.162 19012 501 1 2 . 1 1 11 11 ASN HA H 11 4.396 4.396 4.616 -0.220 19012 502 1 2 . 1 1 11 11 ASN CA C 11 51.832 51.832 55.606 -3.774 19012 503 1 2 . 1 1 11 11 ASN CB C 11 34.355 34.355 38.519 -4.164 19012 504 1 2 . 1 1 11 11 ASN H H 11 8.614 8.614 8.639 -0.025 19012 505 1 2 . 1 1 12 12 ILE N N 12 117.943 117.943 116.637 1.306 19012 506 1 2 . 1 1 12 12 ILE HA H 12 4.185 4.185 4.397 -0.212 19012 507 1 2 . 1 1 12 12 ILE CA C 12 55.309 55.309 61.296 -5.987 19012 508 1 2 . 1 1 12 12 ILE CB C 12 36.651 36.651 38.915 -2.264 19012 509 1 2 . 1 1 12 12 ILE H H 12 7.041 7.041 7.387 -0.346 19012 510 1 2 . 1 1 13 13 ILE N N 13 118.354 118.354 121.360 -3.006 19012 511 1 2 . 1 1 13 13 ILE HA H 13 3.800 3.800 4.260 -0.460 19012 512 1 2 . 1 1 13 13 ILE CA C 13 58.469 58.469 60.886 -2.417 19012 513 1 2 . 1 1 13 13 ILE CB C 13 34.584 34.584 35.194 -0.610 19012 514 1 2 . 1 1 13 13 ILE H H 13 6.635 6.635 7.439 -0.804 19012 515 1 2 . 1 1 14 14 GLY N N 14 114.150 114.150 115.157 -1.007 19012 516 1 2 . 1 1 14 14 GLY CA C 14 41.496 41.496 44.952 -3.456 19012 517 1 2 . 1 1 14 14 GLY H H 14 8.842 8.842 8.517 0.325 19012 518 1 2 . 1 1 15 15 TYR N N 15 119.014 119.014 119.586 -0.572 19012 519 1 2 . 1 1 15 15 TYR HA H 15 4.961 4.961 5.020 -0.059 19012 520 1 2 . 1 1 15 15 TYR CA C 15 54.499 54.499 57.073 -2.574 19012 521 1 2 . 1 1 15 15 TYR CB C 15 38.075 38.075 41.306 -3.231 19012 522 1 2 . 1 1 15 15 TYR H H 15 8.264 8.264 7.713 0.551 19012 523 1 2 . 1 1 16 16 TRP N N 16 124.101 124.101 119.977 4.124 19012 524 1 2 . 1 1 16 16 TRP HA H 16 5.175 5.175 5.455 -0.280 19012 525 1 2 . 1 1 16 16 TRP CA C 16 52.970 52.970 56.492 -3.522 19012 526 1 2 . 1 1 16 16 TRP CB C 16 28.341 28.341 32.773 -4.432 19012 527 1 2 . 1 1 16 16 TRP H H 16 9.497 9.497 9.111 0.386 19012 528 1 2 . 1 1 17 17 SER N N 17 115.863 115.863 117.152 -1.289 19012 529 1 2 . 1 1 17 17 SER HA H 17 6.272 6.272 5.310 0.962 19012 530 1 2 . 1 1 17 17 SER CA C 17 53.039 53.039 56.283 -3.244 19012 531 1 2 . 1 1 17 17 SER CB C 17 63.415 63.415 65.467 -2.052 19012 532 1 2 . 1 1 17 17 SER H H 17 9.182 9.182 9.293 -0.111 19012 533 1 2 . 1 1 18 18 THR N N 18 119.520 119.520 117.644 1.876 19012 534 1 2 . 1 1 18 18 THR CB C 18 67.199 67.199 69.738 -2.539 19012 535 1 2 . 1 1 18 18 THR H H 18 8.996 8.996 8.901 0.095 19012 536 1 2 . 1 1 19 19 GLY N N 19 110.006 110.006 110.224 -0.218 19012 537 1 2 . 1 1 19 19 GLY CA C 19 42.615 42.615 44.707 -2.092 19012 538 1 2 . 1 1 19 19 GLY H H 19 8.206 8.206 7.484 0.722 19012 539 1 2 . 1 1 20 20 ILE N N 20 111.313 111.313 114.605 -3.292 19012 540 1 2 . 1 1 20 20 ILE HA H 20 3.519 3.519 3.665 -0.146 19012 541 1 2 . 1 1 20 20 ILE CA C 20 57.765 57.765 60.623 -2.858 19012 542 1 2 . 1 1 20 20 ILE CB C 20 37.839 37.839 39.104 -1.265 19012 543 1 2 . 1 1 20 20 ILE H H 20 7.953 7.953 8.045 -0.092 19012 544 1 2 . 1 1 21 21 GLU N N 21 119.547 119.547 118.791 0.756 19012 545 1 2 . 1 1 21 21 GLU HA H 21 4.463 4.463 4.716 -0.253 19012 546 1 2 . 1 1 21 21 GLU CA C 21 52.227 52.227 55.104 -2.877 19012 547 1 2 . 1 1 21 21 GLU CB C 21 29.468 29.468 31.287 -1.819 19012 548 1 2 . 1 1 21 21 GLU H H 21 7.514 7.514 7.602 -0.088 19012 549 1 2 . 1 1 22 22 GLY N N 22 109.534 109.534 109.721 -0.187 19012 550 1 2 . 1 1 22 22 GLY CA C 22 43.582 43.582 47.056 -3.474 19012 551 1 2 . 1 1 22 22 GLY H H 22 8.457 8.457 8.683 -0.226 19012 552 1 2 . 1 1 23 23 THR N N 23 124.632 124.632 118.111 6.521 19012 553 1 2 . 1 1 23 23 THR HA H 23 5.271 5.271 4.992 0.279 19012 554 1 2 . 1 1 23 23 THR CA C 23 60.060 60.060 62.200 -2.140 19012 555 1 2 . 1 1 23 23 THR CB C 23 65.680 65.680 70.103 -4.423 19012 556 1 2 . 1 1 23 23 THR H H 23 8.881 8.881 8.027 0.854 19012 557 1 2 . 1 1 24 24 HIS N N 24 122.881 122.881 122.543 0.338 19012 558 1 2 . 1 1 24 24 HIS HA H 24 4.780 4.780 5.169 -0.389 19012 559 1 2 . 1 1 24 24 HIS CA C 24 50.970 50.970 54.058 -3.088 19012 560 1 2 . 1 1 24 24 HIS CB C 24 27.898 27.898 32.227 -4.329 19012 561 1 2 . 1 1 24 24 HIS H H 24 8.919 8.919 8.091 0.828 19012 562 1 2 . 1 1 25 25 LYS N N 25 119.738 119.738 117.964 1.774 19012 563 1 2 . 1 1 25 25 LYS HA H 25 5.437 5.437 5.290 0.147 19012 564 1 2 . 1 1 25 25 LYS CA C 25 52.650 52.650 55.408 -2.758 19012 565 1 2 . 1 1 25 25 LYS CB C 25 33.277 33.277 36.259 -2.982 19012 566 1 2 . 1 1 25 25 LYS H H 25 8.816 8.816 8.803 0.013 19012 567 1 2 . 1 1 26 26 LEU N N 26 126.017 126.017 120.214 5.803 19012 568 1 2 . 1 1 26 26 LEU HA H 26 5.825 5.825 5.119 0.706 19012 569 1 2 . 1 1 26 26 LEU CA C 26 51.614 51.614 53.858 -2.244 19012 570 1 2 . 1 1 26 26 LEU CB C 26 44.544 44.544 46.203 -1.659 19012 571 1 2 . 1 1 26 26 LEU H H 26 9.420 9.420 8.588 0.832 19012 572 1 2 . 1 1 27 27 LEU N N 27 128.825 128.825 124.559 4.266 19012 573 1 2 . 1 1 27 27 LEU HA H 27 5.417 5.417 5.259 0.158 19012 574 1 2 . 1 1 27 27 LEU CA C 27 50.740 50.740 53.131 -2.391 19012 575 1 2 . 1 1 27 27 LEU CB C 27 44.569 44.569 45.776 -1.206 19012 576 1 2 . 1 1 27 27 LEU H H 27 9.475 9.475 8.632 0.843 19012 577 1 2 . 1 1 28 28 SER N N 28 117.701 117.701 113.831 3.870 19012 578 1 2 . 1 1 28 28 SER HA H 28 5.337 5.337 5.161 0.176 19012 579 1 2 . 1 1 28 28 SER CA C 28 53.530 53.530 56.813 -3.284 19012 580 1 2 . 1 1 28 28 SER CB C 28 63.368 63.368 65.796 -2.428 19012 581 1 2 . 1 1 28 28 SER H H 28 8.859 8.859 8.347 0.512 19012 582 1 2 . 1 1 29 29 PHE N N 29 117.319 117.319 120.459 -3.140 19012 583 1 2 . 1 1 29 29 PHE HA H 29 4.679 4.679 5.133 -0.454 19012 584 1 2 . 1 1 29 29 PHE CA C 29 54.565 54.565 57.541 -2.976 19012 585 1 2 . 1 1 29 29 PHE CB C 29 39.104 39.104 42.855 -3.751 19012 586 1 2 . 1 1 29 29 PHE H H 29 8.401 8.401 9.019 -0.618 19012 587 1 2 . 1 1 30 30 ASP N N 30 123.741 123.741 123.910 -0.169 19012 588 1 2 . 1 1 30 30 ASP HA H 30 5.217 5.217 4.997 0.220 19012 589 1 2 . 1 1 30 30 ASP CA C 30 50.408 50.408 54.261 -3.853 19012 590 1 2 . 1 1 30 30 ASP CB C 30 41.148 41.148 42.927 -1.779 19012 591 1 2 . 1 1 30 30 ASP H H 30 9.573 9.573 9.011 0.562 19012 592 1 2 . 1 1 31 31 GLU N N 31 127.123 127.123 120.922 6.201 19012 593 1 2 . 1 1 31 31 GLU HA H 31 4.127 4.127 4.152 -0.026 19012 594 1 2 . 1 1 31 31 GLU CA C 31 56.324 56.324 59.409 -3.085 19012 595 1 2 . 1 1 31 31 GLU CB C 31 27.283 27.283 30.289 -3.006 19012 596 1 2 . 1 1 31 31 GLU H H 31 9.718 9.718 8.775 0.943 19012 597 1 2 . 1 1 32 32 ASP N N 32 119.011 119.011 116.062 2.949 19012 598 1 2 . 1 1 32 32 ASP HA H 32 4.443 4.443 4.681 -0.238 19012 599 1 2 . 1 1 32 32 ASP CA C 32 50.919 50.919 53.984 -3.065 19012 600 1 2 . 1 1 32 32 ASP CB C 32 37.344 37.344 40.936 -3.592 19012 601 1 2 . 1 1 32 32 ASP H H 32 8.911 8.911 8.324 0.587 19012 602 1 2 . 1 1 33 33 GLY N N 33 106.215 106.215 110.200 -3.985 19012 603 1 2 . 1 1 33 33 GLY CA C 33 43.879 43.879 44.690 -0.811 19012 604 1 2 . 1 1 33 33 GLY H H 33 7.781 7.781 8.214 -0.433 19012 605 1 2 . 1 1 34 34 THR N N 34 111.570 111.570 111.298 0.272 19012 606 1 2 . 1 1 34 34 THR HA H 34 5.474 5.474 4.496 0.978 19012 607 1 2 . 1 1 34 34 THR CA C 34 57.389 57.389 60.790 -3.401 19012 608 1 2 . 1 1 34 34 THR CB C 34 69.991 69.991 71.448 -1.457 19012 609 1 2 . 1 1 34 34 THR H H 34 7.863 7.863 7.593 0.270 19012 610 1 2 . 1 1 35 35 GLY N N 35 106.781 106.781 107.056 -0.275 19012 611 1 2 . 1 1 35 35 GLY CA C 35 43.233 43.233 42.996 0.237 19012 612 1 2 . 1 1 35 35 GLY H H 35 8.235 8.235 8.697 -0.462 19012 613 1 2 . 1 1 36 36 SER N N 36 113.807 113.807 113.188 0.619 19012 614 1 2 . 1 1 36 36 SER HA H 36 4.659 4.659 4.786 -0.127 19012 615 1 2 . 1 1 36 36 SER CA C 36 54.509 54.509 56.897 -2.388 19012 616 1 2 . 1 1 36 36 SER CB C 36 64.821 64.821 66.698 -1.877 19012 617 1 2 . 1 1 36 36 SER H H 36 8.182 8.182 8.410 -0.228 19012 618 1 2 . 1 1 37 37 PHE N N 37 120.041 120.041 122.350 -2.309 19012 619 1 2 . 1 1 37 37 PHE HA H 37 5.885 5.885 5.344 0.541 19012 620 1 2 . 1 1 37 37 PHE CA C 37 52.308 52.308 55.808 -3.500 19012 621 1 2 . 1 1 37 37 PHE CB C 37 41.174 41.174 43.450 -2.276 19012 622 1 2 . 1 1 37 37 PHE H H 37 8.829 8.829 8.584 0.245 19012 623 1 2 . 1 1 38 38 GLY N N 38 115.263 115.263 111.241 4.022 19012 624 1 2 . 1 1 38 38 GLY CA C 38 42.092 42.092 43.478 -1.386 19012 625 1 2 . 1 1 38 38 GLY H H 38 8.936 8.936 8.802 0.134 19012 626 1 2 . 1 1 39 39 ILE N N 39 119.791 119.791 119.389 0.402 19012 627 1 2 . 1 1 39 39 ILE HA H 39 4.292 4.292 4.660 -0.368 19012 628 1 2 . 1 1 39 39 ILE CA C 39 58.280 58.280 60.001 -1.721 19012 629 1 2 . 1 1 39 39 ILE CB C 39 36.838 36.838 41.500 -4.662 19012 630 1 2 . 1 1 39 39 ILE H H 39 7.724 7.724 7.736 -0.012 19012 631 1 2 . 1 1 40 40 TYR N N 40 125.748 125.748 123.207 2.541 19012 632 1 2 . 1 1 40 40 TYR HA H 40 4.742 4.742 5.189 -0.447 19012 633 1 2 . 1 1 40 40 TYR CA C 40 53.881 53.881 56.418 -2.537 19012 634 1 2 . 1 1 40 40 TYR CB C 40 39.894 39.894 42.609 -2.715 19012 635 1 2 . 1 1 40 40 TYR H H 40 8.782 8.782 8.978 -0.196 19012 636 1 2 . 1 1 41 41 SER N N 41 114.721 114.721 114.801 -0.080 19012 637 1 2 . 1 1 41 41 SER HA H 41 4.689 4.689 5.101 -0.412 19012 638 1 2 . 1 1 41 41 SER CA C 41 53.337 53.337 56.557 -3.220 19012 639 1 2 . 1 1 41 41 SER CB C 41 60.205 60.205 65.560 -5.355 19012 640 1 2 . 1 1 41 41 SER H H 41 8.708 8.708 8.708 -0.000 19012 641 1 2 . 1 1 42 42 ASN N N 42 124.063 124.063 124.530 -0.467 19012 642 1 2 . 1 1 42 42 ASN HA H 42 4.298 4.298 4.386 -0.088 19012 643 1 2 . 1 1 42 42 ASN CA C 42 54.083 54.083 56.782 -2.700 19012 644 1 2 . 1 1 42 42 ASN CB C 42 34.720 34.720 38.451 -3.731 19012 645 1 2 . 1 1 42 42 ASN H H 42 9.239 9.239 9.111 0.128 19012 646 1 2 . 1 1 43 43 ALA N N 43 125.505 125.505 121.995 3.510 19012 647 1 2 . 1 1 43 43 ALA HA H 43 4.576 4.576 4.719 -0.143 19012 648 1 2 . 1 1 43 43 ALA CA C 43 50.170 50.170 52.120 -1.950 19012 649 1 2 . 1 1 43 43 ALA CB C 43 16.678 16.678 20.270 -3.592 19012 650 1 2 . 1 1 43 43 ALA H H 43 8.468 8.468 7.967 0.501 19012 651 1 2 . 1 1 44 44 THR N N 44 119.056 119.056 116.626 2.430 19012 652 1 2 . 1 1 44 44 THR HA H 44 4.550 4.550 4.838 -0.288 19012 653 1 2 . 1 1 44 44 THR CA C 44 58.028 58.028 60.106 -2.078 19012 654 1 2 . 1 1 44 44 THR CB C 44 68.176 68.176 70.956 -2.780 19012 655 1 2 . 1 1 44 44 THR H H 44 8.420 8.420 8.398 0.022 19012 656 1 2 . 1 1 45 45 PRO HA H 45 3.797 3.797 3.958 -0.161 19012 657 1 2 . 1 1 45 45 PRO CA C 45 60.280 60.280 62.955 -2.675 19012 658 1 2 . 1 1 45 45 PRO CB C 45 28.488 28.488 32.101 -3.613 19012 659 1 2 . 1 1 46 46 ILE N N 46 124.607 124.607 122.291 2.316 19012 660 1 2 . 1 1 46 46 ILE HA H 46 4.023 4.023 4.305 -0.282 19012 661 1 2 . 1 1 46 46 ILE CA C 46 58.609 58.609 61.004 -2.395 19012 662 1 2 . 1 1 46 46 ILE CB C 46 35.652 35.652 39.411 -3.759 19012 663 1 2 . 1 1 46 46 ILE H H 46 8.998 8.998 8.460 0.538 19012 664 1 2 . 1 1 47 47 SER N N 47 112.826 112.826 114.915 -2.089 19012 665 1 2 . 1 1 47 47 SER HA H 47 4.474 4.474 4.718 -0.244 19012 666 1 2 . 1 1 47 47 SER CA C 47 54.926 54.926 57.334 -2.408 19012 667 1 2 . 1 1 47 47 SER CB C 47 62.419 62.419 65.015 -2.596 19012 668 1 2 . 1 1 47 47 SER H H 47 7.439 7.439 7.635 -0.196 19012 669 1 2 . 1 1 48 48 PHE N N 48 123.266 123.266 121.729 1.537 19012 670 1 2 . 1 1 48 48 PHE HA H 48 5.194 5.194 5.093 0.101 19012 671 1 2 . 1 1 48 48 PHE CA C 48 55.624 55.624 58.045 -2.421 19012 672 1 2 . 1 1 48 48 PHE CB C 48 40.000 40.000 42.120 -2.120 19012 673 1 2 . 1 1 48 48 PHE H H 48 8.238 8.238 8.467 -0.229 19012 674 1 2 . 1 1 49 49 GLN N N 49 123.564 123.564 122.749 0.815 19012 675 1 2 . 1 1 49 49 GLN HA H 49 4.935 4.935 4.561 0.374 19012 676 1 2 . 1 1 49 49 GLN CA C 49 51.294 51.294 54.844 -3.550 19012 677 1 2 . 1 1 49 49 GLN CB C 49 29.688 29.688 32.466 -2.778 19012 678 1 2 . 1 1 49 49 GLN H H 49 8.607 8.607 8.416 0.191 19012 679 1 2 . 1 1 50 50 MET N N 50 120.626 120.626 117.488 3.138 19012 680 1 2 . 1 1 50 50 MET HA H 50 4.637 4.637 5.016 -0.379 19012 681 1 2 . 1 1 50 50 MET CA C 50 51.562 51.562 54.562 -3.000 19012 682 1 2 . 1 1 50 50 MET CB C 50 33.549 33.549 38.211 -4.662 19012 683 1 2 . 1 1 50 50 MET H H 50 9.071 9.071 8.255 0.816 19012 684 1 2 . 1 1 51 51 PHE N N 51 112.996 112.996 114.192 -1.196 19012 685 1 2 . 1 1 51 51 PHE HA H 51 4.928 4.928 5.218 -0.290 19012 686 1 2 . 1 1 51 51 PHE CA C 51 53.899 53.899 56.793 -2.894 19012 687 1 2 . 1 1 51 51 PHE CB C 51 38.018 38.018 41.020 -3.002 19012 688 1 2 . 1 1 52 52 ASP N N 52 118.727 118.727 121.037 -2.310 19012 689 1 2 . 1 1 52 52 ASP HA H 52 5.640 5.640 4.825 0.815 19012 690 1 2 . 1 1 52 52 ASP CA C 52 50.264 50.264 55.450 -5.186 19012 691 1 2 . 1 1 52 52 ASP CB C 52 38.971 38.971 43.303 -4.332 19012 692 1 2 . 1 1 52 52 ASP H H 52 8.469 8.469 8.379 0.090 19012 693 1 2 . 1 1 53 53 TYR N N 53 115.709 115.709 114.873 0.836 19012 694 1 2 . 1 1 53 53 TYR HA H 53 6.351 6.351 5.657 0.694 19012 695 1 2 . 1 1 53 53 TYR CA C 53 53.296 53.296 56.076 -2.780 19012 696 1 2 . 1 1 53 53 TYR CB C 53 40.764 40.764 42.012 -1.248 19012 697 1 2 . 1 1 53 53 TYR H H 53 8.725 8.725 8.055 0.670 19012 698 1 2 . 1 1 54 54 LYS N N 54 118.766 118.766 118.579 0.187 19012 699 1 2 . 1 1 54 54 LYS HA H 54 4.445 4.445 4.726 -0.281 19012 700 1 2 . 1 1 54 54 LYS CA C 54 52.187 52.187 54.061 -1.874 19012 701 1 2 . 1 1 54 54 LYS CB C 54 34.819 34.819 37.580 -2.761 19012 702 1 2 . 1 1 54 54 LYS H H 54 8.972 8.972 8.882 0.090 19012 703 1 2 . 1 1 55 55 ILE N N 55 122.406 122.406 122.397 0.009 19012 704 1 2 . 1 1 55 55 ILE HA H 55 4.796 4.796 4.667 0.129 19012 705 1 2 . 1 1 55 55 ILE CA C 55 56.172 56.172 59.313 -3.142 19012 706 1 2 . 1 1 55 55 ILE CB C 55 33.404 33.404 36.383 -2.979 19012 707 1 2 . 1 1 55 55 ILE H H 55 8.832 8.832 8.615 0.217 19012 708 1 2 . 1 1 56 56 GLU N N 56 128.507 128.507 126.778 1.729 19012 709 1 2 . 1 1 56 56 GLU HA H 56 4.575 4.575 4.448 0.127 19012 710 1 2 . 1 1 56 56 GLU CA C 56 52.300 52.300 56.419 -4.119 19012 711 1 2 . 1 1 56 56 GLU CB C 56 30.432 30.432 30.702 -0.270 19012 712 1 2 . 1 1 56 56 GLU H H 56 8.787 8.787 8.956 -0.169 19012 713 1 2 . 1 1 57 57 GLU N N 57 125.606 125.606 118.397 7.209 19012 714 1 2 . 1 1 57 57 GLU HA H 57 3.809 3.809 4.366 -0.557 19012 715 1 2 . 1 1 57 57 GLU CA C 57 54.254 54.254 56.706 -2.452 19012 716 1 2 . 1 1 57 57 GLU CB C 57 25.445 25.445 30.310 -4.865 19012 717 1 2 . 1 1 57 57 GLU H H 57 9.296 9.296 8.416 0.880 19012 718 1 2 . 1 1 58 58 GLY N N 58 103.913 103.913 107.942 -4.029 19012 719 1 2 . 1 1 58 58 GLY CA C 58 43.401 43.401 46.255 -2.854 19012 720 1 2 . 1 1 58 58 GLY H H 58 8.267 8.267 8.769 -0.502 19012 721 1 2 . 1 1 59 59 ARG N N 59 119.125 119.125 117.036 2.089 19012 722 1 2 . 1 1 59 59 ARG HA H 59 4.787 4.787 4.566 0.221 19012 723 1 2 . 1 1 59 59 ARG CA C 59 51.812 51.812 54.257 -2.445 19012 724 1 2 . 1 1 59 59 ARG CB C 59 32.023 32.023 33.813 -1.790 19012 725 1 2 . 1 1 59 59 ARG H H 59 7.840 7.840 7.544 0.296 19012 726 1 2 . 1 1 60 60 ILE N N 60 118.464 118.464 119.420 -0.956 19012 727 1 2 . 1 1 60 60 ILE HA H 60 4.409 4.409 4.698 -0.289 19012 728 1 2 . 1 1 60 60 ILE CA C 60 58.461 58.461 60.415 -1.954 19012 729 1 2 . 1 1 60 60 ILE CB C 60 36.943 36.943 39.789 -2.846 19012 730 1 2 . 1 1 60 60 ILE H H 60 8.150 8.150 8.450 -0.300 19012 731 1 2 . 1 1 61 61 TYR N N 61 130.267 130.267 130.773 -0.506 19012 732 1 2 . 1 1 61 61 TYR HA H 61 4.399 4.399 4.643 -0.244 19012 733 1 2 . 1 1 61 61 TYR CA C 61 53.435 53.435 56.510 -3.075 19012 734 1 2 . 1 1 61 61 TYR CB C 61 37.443 37.443 38.216 -0.773 19012 735 1 2 . 1 1 61 61 TYR H H 61 9.304 9.304 9.042 0.262 19012 736 1 2 . 1 1 62 62 ILE N N 62 129.152 129.152 128.227 0.925 19012 737 1 2 . 1 1 62 62 ILE HA H 62 4.035 4.035 4.042 -0.007 19012 738 1 2 . 1 1 62 62 ILE CA C 62 55.538 55.538 59.500 -3.962 19012 739 1 2 . 1 1 62 62 ILE CB C 62 33.654 33.654 36.418 -2.764 19012 740 1 2 . 1 1 62 62 ILE H H 62 8.326 8.326 8.583 -0.257 19012 741 1 2 . 1 1 63 63 TYR N N 63 119.836 119.836 121.779 -1.943 19012 742 1 2 . 1 1 63 63 TYR HA H 63 4.563 4.563 4.426 0.137 19012 743 1 2 . 1 1 63 63 TYR CA C 63 52.035 52.035 56.422 -4.387 19012 744 1 2 . 1 1 63 63 TYR CB C 63 36.267 36.267 40.468 -4.201 19012 745 1 2 . 1 1 63 63 TYR H H 63 8.397 8.397 7.774 0.623 19012 746 1 2 . 1 1 64 64 ASP N N 64 117.747 117.747 121.407 -3.660 19012 747 1 2 . 1 1 64 64 ASP HA H 64 4.270 4.270 4.765 -0.495 19012 748 1 2 . 1 1 64 64 ASP CA C 64 51.384 51.384 53.903 -2.519 19012 749 1 2 . 1 1 64 64 ASP CB C 64 35.510 35.510 42.600 -7.090 19012 750 1 2 . 1 1 64 64 ASP H H 64 8.570 8.570 7.336 1.234 19012 751 1 2 . 1 1 65 65 VAL N N 65 117.619 117.619 123.709 -6.090 19012 752 1 2 . 1 1 65 65 VAL HA H 65 4.329 4.329 4.850 -0.521 19012 753 1 2 . 1 1 65 65 VAL CA C 65 61.015 61.015 60.438 0.577 19012 754 1 2 . 1 1 65 65 VAL CB C 65 29.350 29.350 35.105 -5.755 19012 755 1 2 . 1 1 65 65 VAL H H 65 8.116 8.116 8.165 -0.049 19012 756 1 2 . 1 1 66 66 TYR N N 66 127.317 127.317 123.864 3.453 19012 757 1 2 . 1 1 66 66 TYR HA H 66 4.567 4.567 5.071 -0.504 19012 758 1 2 . 1 1 66 66 TYR CA C 66 53.116 53.116 55.815 -2.699 19012 759 1 2 . 1 1 66 66 TYR CB C 66 39.090 39.090 40.511 -1.421 19012 760 1 2 . 1 1 66 66 TYR H H 66 8.911 8.911 8.614 0.297 19012 761 1 2 . 1 1 67 67 PRO HA H 67 3.778 3.778 4.521 -0.743 19012 762 1 2 . 1 1 67 67 PRO CA C 67 60.736 60.736 63.702 -2.966 19012 763 1 2 . 1 1 67 67 PRO CB C 67 32.039 32.039 31.881 0.158 19012 764 1 2 . 1 1 68 68 ASP N N 68 122.446 122.446 119.999 2.447 19012 765 1 2 . 1 1 68 68 ASP HA H 68 4.595 4.595 4.765 -0.170 19012 766 1 2 . 1 1 68 68 ASP CA C 68 51.405 51.405 53.477 -2.072 19012 767 1 2 . 1 1 68 68 ASP CB C 68 37.732 37.732 41.875 -4.143 19012 768 1 2 . 1 1 68 68 ASP H H 68 8.017 8.017 7.788 0.229 19012 769 1 2 . 1 1 69 69 GLU N N 69 121.842 121.842 121.627 0.215 19012 770 1 2 . 1 1 69 69 GLU HA H 69 4.167 4.167 4.443 -0.276 19012 771 1 2 . 1 1 69 69 GLU CA C 69 54.191 54.191 55.851 -1.660 19012 772 1 2 . 1 1 69 69 GLU CB C 69 27.200 27.200 30.500 -3.300 19012 773 1 2 . 1 1 69 69 GLU H H 69 8.109 8.109 8.566 -0.457 19012 774 1 2 . 1 1 70 70 LYS N N 70 121.975 121.975 123.027 -1.052 19012 775 1 2 . 1 1 70 70 LYS HA H 70 4.532 4.532 4.550 -0.018 19012 776 1 2 . 1 1 70 70 LYS CA C 70 52.097 52.097 54.500 -2.403 19012 777 1 2 . 1 1 70 70 LYS CB C 70 33.247 33.247 33.980 -0.733 19012 778 1 2 . 1 1 70 70 LYS H H 70 7.646 7.646 8.232 -0.586 19012 779 1 2 . 1 1 71 71 THR N N 71 120.177 120.177 117.564 2.613 19012 780 1 2 . 1 1 71 71 THR HA H 71 4.386 4.386 4.342 0.044 19012 781 1 2 . 1 1 71 71 THR CA C 71 58.759 58.759 60.145 -1.386 19012 782 1 2 . 1 1 71 71 THR CB C 71 66.724 66.724 69.392 -2.668 19012 783 1 2 . 1 1 71 71 THR H H 71 8.258 8.258 8.386 -0.128 19012 784 1 2 . 1 1 72 72 PRO HA H 72 4.389 4.389 4.067 0.322 19012 785 1 2 . 1 1 72 72 PRO CA C 72 61.688 61.688 63.042 -1.354 19012 786 1 2 . 1 1 72 72 PRO CB C 72 31.440 31.440 32.140 -0.700 19012 787 1 2 . 1 1 73 73 TYR N N 73 118.747 118.747 118.390 0.357 19012 788 1 2 . 1 1 73 73 TYR HA H 73 4.857 4.857 4.779 0.078 19012 789 1 2 . 1 1 73 73 TYR CA C 73 52.643 52.643 55.420 -2.777 19012 790 1 2 . 1 1 73 73 TYR CB C 73 37.470 37.470 39.673 -2.203 19012 791 1 2 . 1 1 73 73 TYR H H 73 7.988 7.988 7.883 0.105 19012 792 1 2 . 1 1 74 74 TYR N N 74 114.692 114.692 119.479 -4.787 19012 793 1 2 . 1 1 74 74 TYR HA H 74 5.548 5.548 5.391 0.157 19012 794 1 2 . 1 1 74 74 TYR CA C 74 53.855 53.855 57.296 -3.441 19012 795 1 2 . 1 1 74 74 TYR CB C 74 39.316 39.316 39.636 -0.320 19012 796 1 2 . 1 1 74 74 TYR H H 74 8.370 8.370 8.657 -0.287 19012 797 1 2 . 1 1 75 75 LEU N N 75 120.717 120.717 126.806 -6.089 19012 798 1 2 . 1 1 75 75 LEU HA H 75 4.456 4.456 4.512 -0.056 19012 799 1 2 . 1 1 75 75 LEU CA C 75 50.648 50.648 53.805 -3.157 19012 800 1 2 . 1 1 75 75 LEU CB C 75 41.979 41.979 42.770 -0.791 19012 801 1 2 . 1 1 75 75 LEU H H 75 9.467 9.467 9.083 0.384 19012 802 1 2 . 1 1 76 76 ASP N N 76 123.675 123.675 126.256 -2.581 19012 803 1 2 . 1 1 76 76 ASP HA H 76 5.041 5.041 4.539 0.502 19012 804 1 2 . 1 1 76 76 ASP CA C 76 51.324 51.324 56.609 -5.285 19012 805 1 2 . 1 1 76 76 ASP CB C 76 39.376 39.376 41.153 -1.777 19012 806 1 2 . 1 1 76 76 ASP H H 76 7.825 7.825 8.830 -1.005 19012 807 1 2 . 1 1 77 77 CYS N N 77 118.147 118.147 118.686 -0.539 19012 808 1 2 . 1 1 77 77 CYS HA H 77 5.514 5.514 5.144 0.370 19012 809 1 2 . 1 1 77 77 CYS CA C 77 53.205 53.205 56.040 -2.835 19012 810 1 2 . 1 1 77 77 CYS CB C 77 30.347 30.347 31.769 -1.422 19012 811 1 2 . 1 1 77 77 CYS H H 77 8.504 8.504 8.210 0.294 19012 812 1 2 . 1 1 78 78 LYS N N 78 119.791 119.791 118.715 1.076 19012 813 1 2 . 1 1 78 78 LYS HA H 78 4.398 4.398 4.482 -0.085 19012 814 1 2 . 1 1 78 78 LYS CA C 78 52.033 52.033 54.895 -2.862 19012 815 1 2 . 1 1 78 78 LYS CB C 78 33.618 33.618 35.526 -1.908 19012 816 1 2 . 1 1 78 78 LYS H H 78 8.483 8.483 8.498 -0.015 19012 817 1 2 . 1 1 79 79 ILE N N 79 122.179 122.179 120.367 1.812 19012 818 1 2 . 1 1 79 79 ILE HA H 79 5.410 5.410 5.019 0.391 19012 819 1 2 . 1 1 79 79 ILE CA C 79 56.581 56.581 60.015 -3.434 19012 820 1 2 . 1 1 79 79 ILE CB C 79 41.302 41.302 42.439 -1.137 19012 821 1 2 . 1 1 79 79 ILE H H 79 8.923 8.923 8.279 0.644 19012 822 1 2 . 1 1 80 80 SER N N 80 122.640 122.640 121.847 0.793 19012 823 1 2 . 1 1 80 80 SER HA H 80 4.760 4.760 5.031 -0.271 19012 824 1 2 . 1 1 80 80 SER CB C 80 62.504 62.504 63.453 -0.949 19012 825 1 2 . 1 1 80 80 SER H H 80 9.150 9.150 8.961 0.189 19012 826 1 2 . 1 1 81 81 GLY N N 81 111.781 111.781 111.718 0.063 19012 827 1 2 . 1 1 81 81 GLY CA C 81 44.910 44.910 46.127 -1.217 19012 828 1 2 . 1 1 81 81 GLY H H 81 8.832 8.832 8.501 0.331 19012 829 1 2 . 1 1 82 82 THR N N 82 110.902 110.902 118.508 -7.606 19012 830 1 2 . 1 1 82 82 THR HA H 82 4.541 4.541 4.429 0.112 19012 831 1 2 . 1 1 82 82 THR CA C 82 58.833 58.833 62.814 -3.981 19012 832 1 2 . 1 1 82 82 THR H H 82 8.284 8.284 8.184 0.100 19012 833 1 2 . 1 1 83 83 THR N N 83 119.808 119.808 120.434 -0.626 19012 834 1 2 . 1 1 83 83 THR HA H 83 5.576 5.576 5.100 0.476 19012 835 1 2 . 1 1 83 83 THR CA C 83 59.711 59.711 63.517 -3.806 19012 836 1 2 . 1 1 83 83 THR CB C 83 68.486 68.486 69.907 -1.421 19012 837 1 2 . 1 1 83 83 THR H H 83 8.178 8.178 7.960 0.218 19012 838 1 2 . 1 1 84 84 LEU N N 84 128.946 128.946 129.911 -0.965 19012 839 1 2 . 1 1 84 84 LEU HA H 84 4.787 4.787 4.439 0.348 19012 840 1 2 . 1 1 84 84 LEU CA C 84 50.979 50.979 53.979 -3.000 19012 841 1 2 . 1 1 84 84 LEU CB C 84 43.114 43.114 42.823 0.291 19012 842 1 2 . 1 1 84 84 LEU H H 84 9.103 9.103 9.149 -0.046 19012 843 1 2 . 1 1 85 85 LYS N N 85 129.439 129.439 128.794 0.645 19012 844 1 2 . 1 1 85 85 LYS HA H 85 5.220 5.220 4.595 0.625 19012 845 1 2 . 1 1 85 85 LYS CA C 85 52.028 52.028 54.692 -2.664 19012 846 1 2 . 1 1 85 85 LYS CB C 85 32.656 32.656 33.278 -0.622 19012 847 1 2 . 1 1 85 85 LYS H H 85 9.336 9.336 8.531 0.805 19012 848 1 2 . 1 1 86 86 VAL N N 86 127.719 127.719 127.286 0.433 19012 849 1 2 . 1 1 86 86 VAL HA H 86 4.279 4.279 3.840 0.439 19012 850 1 2 . 1 1 86 86 VAL CA C 86 59.179 59.179 62.791 -3.612 19012 851 1 2 . 1 1 86 86 VAL CB C 86 29.826 29.826 32.213 -2.387 19012 852 1 2 . 1 1 86 86 VAL H H 86 9.122 9.122 8.314 0.808 19012 853 1 2 . 1 1 87 87 GLU N N 87 126.504 126.504 126.493 0.011 19012 854 1 2 . 1 1 87 87 GLU HA H 87 4.215 4.215 4.288 -0.073 19012 855 1 2 . 1 1 87 87 GLU CA C 87 55.427 55.427 57.873 -2.446 19012 856 1 2 . 1 1 87 87 GLU CB C 87 29.038 29.038 30.550 -1.512 19012 857 1 2 . 1 1 87 87 GLU H H 87 8.960 8.960 8.753 0.207 19012 858 1 2 . 1 1 88 88 THR N N 88 109.146 109.146 112.357 -3.211 19012 859 1 2 . 1 1 88 88 THR HA H 88 4.560 4.560 4.433 0.127 19012 860 1 2 . 1 1 88 88 THR CA C 88 57.802 57.802 61.049 -3.247 19012 861 1 2 . 1 1 88 88 THR CB C 88 69.805 69.805 70.740 -0.935 19012 862 1 2 . 1 1 88 88 THR H H 88 7.079 7.079 7.420 -0.341 19012 863 1 2 . 1 1 89 89 GLY N N 89 102.665 102.665 111.170 -8.505 19012 864 1 2 . 1 1 89 89 GLY CA C 89 42.083 42.083 44.497 -2.414 19012 865 1 2 . 1 1 89 89 GLY H H 89 7.984 7.984 8.088 -0.104 19012 866 1 2 . 1 1 90 90 SER N N 90 118.973 118.973 116.453 2.520 19012 867 1 2 . 1 1 90 90 SER HA H 90 4.103 4.103 4.077 0.026 19012 868 1 2 . 1 1 90 90 SER CA C 90 58.840 58.840 61.298 -2.458 19012 869 1 2 . 1 1 90 90 SER CB C 90 60.079 60.079 63.242 -3.163 19012 870 1 2 . 1 1 90 90 SER H H 90 8.854 8.854 8.784 0.070 19012 871 1 2 . 1 1 91 91 GLU N N 91 120.699 120.699 117.884 2.815 19012 872 1 2 . 1 1 91 91 GLU HA H 91 3.676 3.676 4.342 -0.666 19012 873 1 2 . 1 1 91 91 GLU CA C 91 54.571 54.571 55.423 -0.853 19012 874 1 2 . 1 1 91 91 GLU CB C 91 26.627 26.627 29.149 -2.522 19012 875 1 2 . 1 1 91 91 GLU H H 91 10.220 10.220 8.140 2.080 19012 876 1 2 . 1 1 92 92 ALA N N 92 121.411 121.411 122.387 -0.976 19012 877 1 2 . 1 1 92 92 ALA HA H 92 3.691 3.691 4.266 -0.575 19012 878 1 2 . 1 1 92 92 ALA CA C 92 50.916 50.916 52.990 -2.074 19012 879 1 2 . 1 1 92 92 ALA CB C 92 16.118 16.118 18.155 -2.037 19012 880 1 2 . 1 1 92 92 ALA H H 92 7.014 7.014 7.449 -0.435 19012 881 1 2 . 1 1 93 93 GLY N N 93 109.056 109.056 112.516 -3.460 19012 882 1 2 . 1 1 93 93 GLY CA C 93 42.601 42.601 45.766 -3.165 19012 883 1 2 . 1 1 93 93 GLY H H 93 8.706 8.706 7.941 0.765 19012 884 1 2 . 1 1 94 94 THR N N 94 117.255 117.255 116.906 0.349 19012 885 1 2 . 1 1 94 94 THR HA H 94 4.831 4.831 4.952 -0.121 19012 886 1 2 . 1 1 94 94 THR CA C 94 60.491 60.491 61.662 -1.171 19012 887 1 2 . 1 1 94 94 THR CB C 94 66.403 66.403 69.682 -3.279 19012 888 1 2 . 1 1 94 94 THR H H 94 8.637 8.637 7.857 0.780 19012 889 1 2 . 1 1 95 95 TYR N N 95 127.051 127.051 126.331 0.720 19012 890 1 2 . 1 1 95 95 TYR HA H 95 4.564 4.564 5.526 -0.962 19012 891 1 2 . 1 1 95 95 TYR CA C 95 53.889 53.889 56.496 -2.607 19012 892 1 2 . 1 1 95 95 TYR CB C 95 39.733 39.733 43.055 -3.322 19012 893 1 2 . 1 1 95 95 TYR H H 95 10.060 10.060 8.979 1.081 19012 894 1 2 . 1 1 96 96 LYS N N 96 119.487 119.487 120.836 -1.349 19012 895 1 2 . 1 1 96 96 LYS HA H 96 5.668 5.668 5.765 -0.097 19012 896 1 2 . 1 1 96 96 LYS CA C 96 50.781 50.781 54.130 -3.349 19012 897 1 2 . 1 1 96 96 LYS CB C 96 31.840 31.840 35.880 -4.040 19012 898 1 2 . 1 1 96 96 LYS H H 96 8.960 8.960 9.123 -0.163 19012 899 1 2 . 1 1 97 97 LYS N N 97 128.866 128.866 123.920 4.946 19012 900 1 2 . 1 1 97 97 LYS HA H 97 3.701 3.701 3.548 0.153 19012 901 1 2 . 1 1 97 97 LYS CA C 97 55.022 55.022 57.319 -2.297 19012 902 1 2 . 1 1 97 97 LYS CB C 97 30.744 30.744 32.770 -2.026 19012 903 1 2 . 1 1 97 97 LYS H H 97 8.729 8.729 8.469 0.260 19012 904 1 2 . 1 1 98 98 GLN N N 98 127.056 127.056 124.163 2.893 19012 905 1 2 . 1 1 98 98 GLN HA H 98 4.244 4.244 4.543 -0.299 19012 906 1 2 . 1 1 98 98 GLN CA C 98 52.689 52.689 54.323 -1.634 19012 907 1 2 . 1 1 98 98 GLN CB C 98 28.065 28.065 32.242 -4.177 19012 908 1 2 . 1 1 98 98 GLN H H 98 8.992 8.992 8.243 0.749 19012 909 1 3 . 1 1 2 2 GLU N N 2 119.968 119.968 120.819 -0.851 19012 910 1 3 . 1 1 2 2 GLU HA H 2 4.009 4.009 4.377 -0.368 19012 911 1 3 . 1 1 2 2 GLU CA C 2 53.190 53.190 55.674 -2.484 19012 912 1 3 . 1 1 2 2 GLU CB C 2 27.574 27.574 32.823 -5.249 19012 913 1 3 . 1 1 2 2 GLU H H 2 8.212 8.212 8.427 -0.215 19012 914 1 3 . 1 1 3 3 ASP N N 3 122.057 122.057 124.449 -2.392 19012 915 1 3 . 1 1 3 3 ASP HA H 3 4.509 4.509 4.859 -0.350 19012 916 1 3 . 1 1 3 3 ASP CA C 3 50.691 50.691 53.426 -2.735 19012 917 1 3 . 1 1 3 3 ASP CB C 3 38.121 38.121 40.452 -2.331 19012 918 1 3 . 1 1 3 3 ASP H H 3 8.209 8.209 8.315 -0.106 19012 919 1 3 . 1 1 4 4 TRP N N 4 121.397 121.397 122.514 -1.117 19012 920 1 3 . 1 1 4 4 TRP HA H 4 4.749 4.749 5.080 -0.331 19012 921 1 3 . 1 1 4 4 TRP CA C 4 53.792 53.792 55.803 -2.011 19012 922 1 3 . 1 1 4 4 TRP CB C 4 27.994 27.994 31.552 -3.558 19012 923 1 3 . 1 1 4 4 TRP H H 4 7.614 7.614 8.238 -0.624 19012 924 1 3 . 1 1 5 5 THR N N 5 117.669 117.669 114.948 2.721 19012 925 1 3 . 1 1 5 5 THR HA H 5 4.733 4.733 4.540 0.193 19012 926 1 3 . 1 1 5 5 THR CA C 5 57.170 57.170 61.190 -4.020 19012 927 1 3 . 1 1 5 5 THR CB C 5 68.444 68.444 69.818 -1.374 19012 928 1 3 . 1 1 5 5 THR H H 5 9.387 9.387 8.938 0.449 19012 929 1 3 . 1 1 6 6 GLU N N 6 121.359 121.359 120.197 1.162 19012 930 1 3 . 1 1 6 6 GLU HA H 6 4.283 4.283 4.209 0.074 19012 931 1 3 . 1 1 6 6 GLU CA C 6 53.743 53.743 57.141 -3.398 19012 932 1 3 . 1 1 6 6 GLU CB C 6 28.184 28.184 29.848 -1.664 19012 933 1 3 . 1 1 6 6 GLU H H 6 8.027 8.027 8.620 -0.593 19012 934 1 3 . 1 1 7 7 LEU N N 7 126.701 126.701 126.288 0.413 19012 935 1 3 . 1 1 7 7 LEU HA H 7 4.217 4.217 4.248 -0.031 19012 936 1 3 . 1 1 7 7 LEU CA C 7 52.720 52.720 56.007 -3.287 19012 937 1 3 . 1 1 7 7 LEU CB C 7 40.595 40.595 42.478 -1.883 19012 938 1 3 . 1 1 7 7 LEU H H 7 8.626 8.626 8.601 0.025 19012 939 1 3 . 1 1 8 8 ASN N N 8 121.528 121.528 122.323 -0.795 19012 940 1 3 . 1 1 8 8 ASN HA H 8 4.611 4.611 5.063 -0.452 19012 941 1 3 . 1 1 8 8 ASN CA C 8 49.652 49.652 52.231 -2.579 19012 942 1 3 . 1 1 8 8 ASN CB C 8 38.102 38.102 41.896 -3.794 19012 943 1 3 . 1 1 8 8 ASN H H 8 9.218 9.218 9.019 0.199 19012 944 1 3 . 1 1 9 9 SER N N 9 109.319 109.319 116.392 -7.073 19012 945 1 3 . 1 1 9 9 SER HA H 9 4.045 4.045 4.450 -0.405 19012 946 1 3 . 1 1 9 9 SER CA C 9 58.381 58.381 59.123 -0.742 19012 947 1 3 . 1 1 9 9 SER CB C 9 60.521 60.521 61.180 -0.659 19012 948 1 3 . 1 1 9 9 SER H H 9 8.268 8.268 8.872 -0.604 19012 949 1 3 . 1 1 10 10 ASN N N 10 117.403 117.403 118.164 -0.761 19012 950 1 3 . 1 1 10 10 ASN HA H 10 4.872 4.872 4.945 -0.073 19012 951 1 3 . 1 1 10 10 ASN CA C 10 52.508 52.508 54.346 -1.837 19012 952 1 3 . 1 1 10 10 ASN CB C 10 37.905 37.905 40.206 -2.301 19012 953 1 3 . 1 1 10 10 ASN H H 10 8.610 8.610 8.339 0.271 19012 954 1 3 . 1 1 11 11 ASN N N 11 119.053 119.053 119.642 -0.589 19012 955 1 3 . 1 1 11 11 ASN HA H 11 4.396 4.396 4.656 -0.260 19012 956 1 3 . 1 1 11 11 ASN CA C 11 51.832 51.832 54.830 -2.998 19012 957 1 3 . 1 1 11 11 ASN CB C 11 34.355 34.355 37.643 -3.288 19012 958 1 3 . 1 1 11 11 ASN H H 11 8.614 8.614 8.238 0.376 19012 959 1 3 . 1 1 12 12 ILE N N 12 117.943 117.943 118.586 -0.643 19012 960 1 3 . 1 1 12 12 ILE HA H 12 4.185 4.185 4.329 -0.144 19012 961 1 3 . 1 1 12 12 ILE CA C 12 55.309 55.309 60.857 -5.548 19012 962 1 3 . 1 1 12 12 ILE CB C 12 36.651 36.651 38.662 -2.011 19012 963 1 3 . 1 1 12 12 ILE H H 12 7.041 7.041 7.465 -0.424 19012 964 1 3 . 1 1 13 13 ILE N N 13 118.354 118.354 119.767 -1.413 19012 965 1 3 . 1 1 13 13 ILE HA H 13 3.800 3.800 4.141 -0.341 19012 966 1 3 . 1 1 13 13 ILE CA C 13 58.469 58.469 61.639 -3.170 19012 967 1 3 . 1 1 13 13 ILE CB C 13 34.584 34.584 36.404 -1.820 19012 968 1 3 . 1 1 13 13 ILE H H 13 6.635 6.635 7.323 -0.688 19012 969 1 3 . 1 1 14 14 GLY N N 14 114.150 114.150 113.126 1.024 19012 970 1 3 . 1 1 14 14 GLY CA C 14 41.496 41.496 44.755 -3.259 19012 971 1 3 . 1 1 14 14 GLY H H 14 8.842 8.842 8.846 -0.004 19012 972 1 3 . 1 1 15 15 TYR N N 15 119.014 119.014 120.079 -1.065 19012 973 1 3 . 1 1 15 15 TYR HA H 15 4.961 4.961 5.090 -0.129 19012 974 1 3 . 1 1 15 15 TYR CA C 15 54.499 54.499 56.327 -1.828 19012 975 1 3 . 1 1 15 15 TYR CB C 15 38.075 38.075 42.399 -4.324 19012 976 1 3 . 1 1 15 15 TYR H H 15 8.264 8.264 8.080 0.184 19012 977 1 3 . 1 1 16 16 TRP N N 16 124.101 124.101 119.375 4.726 19012 978 1 3 . 1 1 16 16 TRP HA H 16 5.175 5.175 4.930 0.245 19012 979 1 3 . 1 1 16 16 TRP CA C 16 52.970 52.970 56.987 -4.017 19012 980 1 3 . 1 1 16 16 TRP CB C 16 28.341 28.341 32.554 -4.213 19012 981 1 3 . 1 1 16 16 TRP H H 16 9.497 9.497 9.193 0.304 19012 982 1 3 . 1 1 17 17 SER N N 17 115.863 115.863 118.324 -2.461 19012 983 1 3 . 1 1 17 17 SER HA H 17 6.272 6.272 5.770 0.502 19012 984 1 3 . 1 1 17 17 SER CA C 17 53.039 53.039 56.213 -3.174 19012 985 1 3 . 1 1 17 17 SER CB C 17 63.415 63.415 65.609 -2.195 19012 986 1 3 . 1 1 17 17 SER H H 17 9.182 9.182 8.773 0.409 19012 987 1 3 . 1 1 18 18 THR N N 18 119.520 119.520 117.963 1.557 19012 988 1 3 . 1 1 18 18 THR CB C 18 67.199 67.199 69.701 -2.502 19012 989 1 3 . 1 1 18 18 THR H H 18 8.996 8.996 8.378 0.618 19012 990 1 3 . 1 1 19 19 GLY N N 19 110.006 110.006 109.561 0.445 19012 991 1 3 . 1 1 19 19 GLY CA C 19 42.615 42.615 45.180 -2.565 19012 992 1 3 . 1 1 19 19 GLY H H 19 8.206 8.206 7.706 0.500 19012 993 1 3 . 1 1 20 20 ILE N N 20 111.313 111.313 113.353 -2.040 19012 994 1 3 . 1 1 20 20 ILE HA H 20 3.519 3.519 3.937 -0.418 19012 995 1 3 . 1 1 20 20 ILE CA C 20 57.765 57.765 60.388 -2.623 19012 996 1 3 . 1 1 20 20 ILE CB C 20 37.839 37.839 39.425 -1.586 19012 997 1 3 . 1 1 20 20 ILE H H 20 7.953 7.953 8.136 -0.183 19012 998 1 3 . 1 1 21 21 GLU N N 21 119.547 119.547 118.072 1.475 19012 999 1 3 . 1 1 21 21 GLU HA H 21 4.463 4.463 4.882 -0.419 19012 1000 1 3 . 1 1 21 21 GLU CA C 21 52.227 52.227 54.996 -2.769 19012 1001 1 3 . 1 1 21 21 GLU CB C 21 29.468 29.468 30.983 -1.515 19012 1002 1 3 . 1 1 21 21 GLU H H 21 7.514 7.514 7.362 0.152 19012 1003 1 3 . 1 1 22 22 GLY N N 22 109.534 109.534 109.120 0.414 19012 1004 1 3 . 1 1 22 22 GLY CA C 22 43.582 43.582 47.139 -3.557 19012 1005 1 3 . 1 1 22 22 GLY H H 22 8.457 8.457 8.799 -0.342 19012 1006 1 3 . 1 1 23 23 THR N N 23 124.632 124.632 117.717 6.915 19012 1007 1 3 . 1 1 23 23 THR HA H 23 5.271 5.271 4.984 0.287 19012 1008 1 3 . 1 1 23 23 THR CA C 23 60.060 60.060 61.847 -1.787 19012 1009 1 3 . 1 1 23 23 THR CB C 23 65.680 65.680 69.736 -4.056 19012 1010 1 3 . 1 1 23 23 THR H H 23 8.881 8.881 8.222 0.659 19012 1011 1 3 . 1 1 24 24 HIS N N 24 122.881 122.881 122.651 0.230 19012 1012 1 3 . 1 1 24 24 HIS HA H 24 4.780 4.780 5.029 -0.249 19012 1013 1 3 . 1 1 24 24 HIS CA C 24 50.970 50.970 54.132 -3.162 19012 1014 1 3 . 1 1 24 24 HIS CB C 24 27.898 27.898 32.032 -4.134 19012 1015 1 3 . 1 1 24 24 HIS H H 24 8.919 8.919 7.951 0.968 19012 1016 1 3 . 1 1 25 25 LYS N N 25 119.738 119.738 117.147 2.591 19012 1017 1 3 . 1 1 25 25 LYS HA H 25 5.437 5.437 5.029 0.408 19012 1018 1 3 . 1 1 25 25 LYS CA C 25 52.650 52.650 55.514 -2.864 19012 1019 1 3 . 1 1 25 25 LYS CB C 25 33.277 33.277 36.373 -3.096 19012 1020 1 3 . 1 1 25 25 LYS H H 25 8.816 8.816 8.698 0.118 19012 1021 1 3 . 1 1 26 26 LEU N N 26 126.017 126.017 122.582 3.435 19012 1022 1 3 . 1 1 26 26 LEU HA H 26 5.825 5.825 5.362 0.463 19012 1023 1 3 . 1 1 26 26 LEU CA C 26 51.614 51.614 53.384 -1.770 19012 1024 1 3 . 1 1 26 26 LEU CB C 26 44.544 44.544 45.910 -1.366 19012 1025 1 3 . 1 1 26 26 LEU H H 26 9.420 9.420 8.909 0.511 19012 1026 1 3 . 1 1 27 27 LEU N N 27 128.825 128.825 126.191 2.634 19012 1027 1 3 . 1 1 27 27 LEU HA H 27 5.417 5.417 5.036 0.381 19012 1028 1 3 . 1 1 27 27 LEU CA C 27 50.740 50.740 53.129 -2.389 19012 1029 1 3 . 1 1 27 27 LEU CB C 27 44.569 44.569 45.755 -1.186 19012 1030 1 3 . 1 1 27 27 LEU H H 27 9.475 9.475 9.089 0.386 19012 1031 1 3 . 1 1 28 28 SER N N 28 117.701 117.701 113.260 4.441 19012 1032 1 3 . 1 1 28 28 SER HA H 28 5.337 5.337 5.087 0.250 19012 1033 1 3 . 1 1 28 28 SER CA C 28 53.530 53.530 56.316 -2.786 19012 1034 1 3 . 1 1 28 28 SER CB C 28 63.368 63.368 65.625 -2.257 19012 1035 1 3 . 1 1 28 28 SER H H 28 8.859 8.859 7.863 0.996 19012 1036 1 3 . 1 1 29 29 PHE N N 29 117.319 117.319 119.347 -2.028 19012 1037 1 3 . 1 1 29 29 PHE HA H 29 4.679 4.679 4.767 -0.088 19012 1038 1 3 . 1 1 29 29 PHE CA C 29 54.565 54.565 57.535 -2.970 19012 1039 1 3 . 1 1 29 29 PHE CB C 29 39.104 39.104 42.764 -3.660 19012 1040 1 3 . 1 1 29 29 PHE H H 29 8.401 8.401 8.791 -0.390 19012 1041 1 3 . 1 1 30 30 ASP N N 30 123.741 123.741 122.065 1.676 19012 1042 1 3 . 1 1 30 30 ASP HA H 30 5.217 5.217 4.975 0.242 19012 1043 1 3 . 1 1 30 30 ASP CA C 30 50.408 50.408 53.206 -2.798 19012 1044 1 3 . 1 1 30 30 ASP CB C 30 41.148 41.148 43.824 -2.676 19012 1045 1 3 . 1 1 30 30 ASP H H 30 9.573 9.573 8.824 0.749 19012 1046 1 3 . 1 1 31 31 GLU N N 31 127.123 127.123 120.450 6.673 19012 1047 1 3 . 1 1 31 31 GLU HA H 31 4.127 4.127 4.303 -0.176 19012 1048 1 3 . 1 1 31 31 GLU CA C 31 56.324 56.324 59.337 -3.013 19012 1049 1 3 . 1 1 31 31 GLU CB C 31 27.283 27.283 30.365 -3.082 19012 1050 1 3 . 1 1 31 31 GLU H H 31 9.718 9.718 8.678 1.040 19012 1051 1 3 . 1 1 32 32 ASP N N 32 119.011 119.011 116.060 2.951 19012 1052 1 3 . 1 1 32 32 ASP HA H 32 4.443 4.443 4.709 -0.266 19012 1053 1 3 . 1 1 32 32 ASP CA C 32 50.919 50.919 54.313 -3.394 19012 1054 1 3 . 1 1 32 32 ASP CB C 32 37.344 37.344 40.989 -3.644 19012 1055 1 3 . 1 1 32 32 ASP H H 32 8.911 8.911 8.245 0.666 19012 1056 1 3 . 1 1 33 33 GLY N N 33 106.215 106.215 109.212 -2.997 19012 1057 1 3 . 1 1 33 33 GLY CA C 33 43.879 43.879 44.976 -1.097 19012 1058 1 3 . 1 1 33 33 GLY H H 33 7.781 7.781 8.261 -0.480 19012 1059 1 3 . 1 1 34 34 THR N N 34 111.570 111.570 112.919 -1.349 19012 1060 1 3 . 1 1 34 34 THR HA H 34 5.474 5.474 4.741 0.733 19012 1061 1 3 . 1 1 34 34 THR CA C 34 57.389 57.389 60.414 -3.025 19012 1062 1 3 . 1 1 34 34 THR CB C 34 69.991 69.991 72.135 -2.144 19012 1063 1 3 . 1 1 34 34 THR H H 34 7.863 7.863 7.950 -0.087 19012 1064 1 3 . 1 1 35 35 GLY N N 35 106.781 106.781 108.122 -1.341 19012 1065 1 3 . 1 1 35 35 GLY CA C 35 43.233 43.233 43.684 -0.452 19012 1066 1 3 . 1 1 35 35 GLY H H 35 8.235 8.235 8.642 -0.407 19012 1067 1 3 . 1 1 36 36 SER N N 36 113.807 113.807 113.381 0.426 19012 1068 1 3 . 1 1 36 36 SER HA H 36 4.659 4.659 4.817 -0.158 19012 1069 1 3 . 1 1 36 36 SER CA C 36 54.509 54.509 57.022 -2.513 19012 1070 1 3 . 1 1 36 36 SER CB C 36 64.821 64.821 66.848 -2.027 19012 1071 1 3 . 1 1 36 36 SER H H 36 8.182 8.182 7.913 0.269 19012 1072 1 3 . 1 1 37 37 PHE N N 37 120.041 120.041 120.909 -0.868 19012 1073 1 3 . 1 1 37 37 PHE HA H 37 5.885 5.885 5.339 0.546 19012 1074 1 3 . 1 1 37 37 PHE CA C 37 52.308 52.308 55.765 -3.457 19012 1075 1 3 . 1 1 37 37 PHE CB C 37 41.174 41.174 43.800 -2.626 19012 1076 1 3 . 1 1 37 37 PHE H H 37 8.829 8.829 8.386 0.443 19012 1077 1 3 . 1 1 38 38 GLY N N 38 115.263 115.263 109.378 5.885 19012 1078 1 3 . 1 1 38 38 GLY CA C 38 42.092 42.092 44.447 -2.355 19012 1079 1 3 . 1 1 38 38 GLY H H 38 8.936 8.936 8.267 0.669 19012 1080 1 3 . 1 1 39 39 ILE N N 39 119.791 119.791 119.222 0.569 19012 1081 1 3 . 1 1 39 39 ILE HA H 39 4.292 4.292 4.821 -0.529 19012 1082 1 3 . 1 1 39 39 ILE CA C 39 58.280 58.280 59.733 -1.452 19012 1083 1 3 . 1 1 39 39 ILE CB C 39 36.838 36.838 42.147 -5.309 19012 1084 1 3 . 1 1 39 39 ILE H H 39 7.724 7.724 7.959 -0.235 19012 1085 1 3 . 1 1 40 40 TYR N N 40 125.748 125.748 122.594 3.154 19012 1086 1 3 . 1 1 40 40 TYR HA H 40 4.742 4.742 5.064 -0.322 19012 1087 1 3 . 1 1 40 40 TYR CA C 40 53.881 53.881 56.448 -2.567 19012 1088 1 3 . 1 1 40 40 TYR CB C 40 39.894 39.894 42.680 -2.786 19012 1089 1 3 . 1 1 40 40 TYR H H 40 8.782 8.782 9.119 -0.337 19012 1090 1 3 . 1 1 41 41 SER N N 41 114.721 114.721 115.573 -0.852 19012 1091 1 3 . 1 1 41 41 SER HA H 41 4.689 4.689 5.117 -0.428 19012 1092 1 3 . 1 1 41 41 SER CA C 41 53.337 53.337 57.315 -3.978 19012 1093 1 3 . 1 1 41 41 SER CB C 41 60.205 60.205 64.882 -4.677 19012 1094 1 3 . 1 1 41 41 SER H H 41 8.708 8.708 8.700 0.008 19012 1095 1 3 . 1 1 42 42 ASN N N 42 124.063 124.063 126.176 -2.113 19012 1096 1 3 . 1 1 42 42 ASN HA H 42 4.298 4.298 4.412 -0.114 19012 1097 1 3 . 1 1 42 42 ASN CA C 42 54.083 54.083 57.363 -3.280 19012 1098 1 3 . 1 1 42 42 ASN CB C 42 34.720 34.720 38.328 -3.608 19012 1099 1 3 . 1 1 42 42 ASN H H 42 9.239 9.239 9.448 -0.209 19012 1100 1 3 . 1 1 43 43 ALA N N 43 125.505 125.505 122.339 3.166 19012 1101 1 3 . 1 1 43 43 ALA HA H 43 4.576 4.576 4.791 -0.215 19012 1102 1 3 . 1 1 43 43 ALA CA C 43 50.170 50.170 51.999 -1.829 19012 1103 1 3 . 1 1 43 43 ALA CB C 43 16.678 16.678 19.860 -3.182 19012 1104 1 3 . 1 1 43 43 ALA H H 43 8.468 8.468 7.971 0.497 19012 1105 1 3 . 1 1 44 44 THR N N 44 119.056 119.056 117.230 1.826 19012 1106 1 3 . 1 1 44 44 THR HA H 44 4.550 4.550 4.783 -0.233 19012 1107 1 3 . 1 1 44 44 THR CA C 44 58.028 58.028 59.205 -1.177 19012 1108 1 3 . 1 1 44 44 THR CB C 44 68.176 68.176 70.461 -2.285 19012 1109 1 3 . 1 1 44 44 THR H H 44 8.420 8.420 8.108 0.312 19012 1110 1 3 . 1 1 45 45 PRO HA H 45 3.797 3.797 3.534 0.263 19012 1111 1 3 . 1 1 45 45 PRO CA C 45 60.280 60.280 63.145 -2.865 19012 1112 1 3 . 1 1 45 45 PRO CB C 45 28.488 28.488 32.113 -3.625 19012 1113 1 3 . 1 1 46 46 ILE N N 46 124.607 124.607 122.939 1.668 19012 1114 1 3 . 1 1 46 46 ILE HA H 46 4.023 4.023 4.266 -0.243 19012 1115 1 3 . 1 1 46 46 ILE CA C 46 58.609 58.609 61.000 -2.391 19012 1116 1 3 . 1 1 46 46 ILE CB C 46 35.652 35.652 38.715 -3.063 19012 1117 1 3 . 1 1 46 46 ILE H H 46 8.998 8.998 8.422 0.576 19012 1118 1 3 . 1 1 47 47 SER N N 47 112.826 112.826 115.729 -2.903 19012 1119 1 3 . 1 1 47 47 SER HA H 47 4.474 4.474 4.702 -0.228 19012 1120 1 3 . 1 1 47 47 SER CA C 47 54.926 54.926 57.576 -2.650 19012 1121 1 3 . 1 1 47 47 SER CB C 47 62.419 62.419 65.684 -3.265 19012 1122 1 3 . 1 1 47 47 SER H H 47 7.439 7.439 7.561 -0.122 19012 1123 1 3 . 1 1 48 48 PHE N N 48 123.266 123.266 120.990 2.276 19012 1124 1 3 . 1 1 48 48 PHE HA H 48 5.194 5.194 4.920 0.274 19012 1125 1 3 . 1 1 48 48 PHE CA C 48 55.624 55.624 58.107 -2.483 19012 1126 1 3 . 1 1 48 48 PHE CB C 48 40.000 40.000 42.072 -2.072 19012 1127 1 3 . 1 1 48 48 PHE H H 48 8.238 8.238 8.280 -0.042 19012 1128 1 3 . 1 1 49 49 GLN N N 49 123.564 123.564 118.820 4.744 19012 1129 1 3 . 1 1 49 49 GLN HA H 49 4.935 4.935 4.615 0.320 19012 1130 1 3 . 1 1 49 49 GLN CA C 49 51.294 51.294 54.798 -3.504 19012 1131 1 3 . 1 1 49 49 GLN CB C 49 29.688 29.688 31.802 -2.114 19012 1132 1 3 . 1 1 49 49 GLN H H 49 8.607 8.607 7.870 0.737 19012 1133 1 3 . 1 1 50 50 MET N N 50 120.626 120.626 118.194 2.432 19012 1134 1 3 . 1 1 50 50 MET HA H 50 4.637 4.637 4.850 -0.213 19012 1135 1 3 . 1 1 50 50 MET CA C 50 51.562 51.562 54.616 -3.054 19012 1136 1 3 . 1 1 50 50 MET CB C 50 33.549 33.549 37.834 -4.285 19012 1137 1 3 . 1 1 50 50 MET H H 50 9.071 9.071 8.481 0.590 19012 1138 1 3 . 1 1 51 51 PHE N N 51 112.996 112.996 114.472 -1.476 19012 1139 1 3 . 1 1 51 51 PHE HA H 51 4.928 4.928 5.198 -0.270 19012 1140 1 3 . 1 1 51 51 PHE CA C 51 53.899 53.899 56.404 -2.505 19012 1141 1 3 . 1 1 51 51 PHE CB C 51 38.018 38.018 41.468 -3.450 19012 1142 1 3 . 1 1 52 52 ASP N N 52 118.727 118.727 121.102 -2.375 19012 1143 1 3 . 1 1 52 52 ASP HA H 52 5.640 5.640 4.916 0.724 19012 1144 1 3 . 1 1 52 52 ASP CA C 52 50.264 50.264 53.297 -3.033 19012 1145 1 3 . 1 1 52 52 ASP CB C 52 38.971 38.971 43.749 -4.778 19012 1146 1 3 . 1 1 52 52 ASP H H 52 8.469 8.469 8.250 0.219 19012 1147 1 3 . 1 1 53 53 TYR N N 53 115.709 115.709 116.468 -0.759 19012 1148 1 3 . 1 1 53 53 TYR HA H 53 6.351 6.351 5.702 0.649 19012 1149 1 3 . 1 1 53 53 TYR CA C 53 53.296 53.296 55.957 -2.661 19012 1150 1 3 . 1 1 53 53 TYR CB C 53 40.764 40.764 41.653 -0.889 19012 1151 1 3 . 1 1 53 53 TYR H H 53 8.725 8.725 8.112 0.613 19012 1152 1 3 . 1 1 54 54 LYS N N 54 118.766 118.766 117.790 0.976 19012 1153 1 3 . 1 1 54 54 LYS HA H 54 4.445 4.445 4.473 -0.028 19012 1154 1 3 . 1 1 54 54 LYS CA C 54 52.187 52.187 54.707 -2.520 19012 1155 1 3 . 1 1 54 54 LYS CB C 54 34.819 34.819 37.361 -2.542 19012 1156 1 3 . 1 1 54 54 LYS H H 54 8.972 8.972 8.483 0.489 19012 1157 1 3 . 1 1 55 55 ILE N N 55 122.406 122.406 121.376 1.030 19012 1158 1 3 . 1 1 55 55 ILE HA H 55 4.796 4.796 5.071 -0.275 19012 1159 1 3 . 1 1 55 55 ILE CA C 55 56.172 56.172 59.327 -3.155 19012 1160 1 3 . 1 1 55 55 ILE CB C 55 33.404 33.404 37.048 -3.644 19012 1161 1 3 . 1 1 55 55 ILE H H 55 8.832 8.832 8.531 0.301 19012 1162 1 3 . 1 1 56 56 GLU N N 56 128.507 128.507 124.978 3.529 19012 1163 1 3 . 1 1 56 56 GLU HA H 56 4.575 4.575 4.584 -0.009 19012 1164 1 3 . 1 1 56 56 GLU CA C 56 52.300 52.300 56.390 -4.090 19012 1165 1 3 . 1 1 56 56 GLU CB C 56 30.432 30.432 30.507 -0.075 19012 1166 1 3 . 1 1 56 56 GLU H H 56 8.787 8.787 8.849 -0.062 19012 1167 1 3 . 1 1 57 57 GLU N N 57 125.606 125.606 118.414 7.192 19012 1168 1 3 . 1 1 57 57 GLU HA H 57 3.809 3.809 4.435 -0.626 19012 1169 1 3 . 1 1 57 57 GLU CA C 57 54.254 54.254 56.523 -2.268 19012 1170 1 3 . 1 1 57 57 GLU CB C 57 25.445 25.445 30.362 -4.917 19012 1171 1 3 . 1 1 57 57 GLU H H 57 9.296 9.296 8.310 0.986 19012 1172 1 3 . 1 1 58 58 GLY N N 58 103.913 103.913 107.961 -4.048 19012 1173 1 3 . 1 1 58 58 GLY CA C 58 43.401 43.401 45.965 -2.564 19012 1174 1 3 . 1 1 58 58 GLY H H 58 8.267 8.267 8.601 -0.334 19012 1175 1 3 . 1 1 59 59 ARG N N 59 119.125 119.125 116.672 2.453 19012 1176 1 3 . 1 1 59 59 ARG HA H 59 4.787 4.787 4.765 0.022 19012 1177 1 3 . 1 1 59 59 ARG CA C 59 51.812 51.812 54.244 -2.432 19012 1178 1 3 . 1 1 59 59 ARG CB C 59 32.023 32.023 34.722 -2.699 19012 1179 1 3 . 1 1 59 59 ARG H H 59 7.840 7.840 7.544 0.296 19012 1180 1 3 . 1 1 60 60 ILE N N 60 118.464 118.464 120.930 -2.466 19012 1181 1 3 . 1 1 60 60 ILE HA H 60 4.409 4.409 4.698 -0.289 19012 1182 1 3 . 1 1 60 60 ILE CA C 60 58.461 58.461 60.687 -2.226 19012 1183 1 3 . 1 1 60 60 ILE CB C 60 36.943 36.943 38.831 -1.888 19012 1184 1 3 . 1 1 60 60 ILE H H 60 8.150 8.150 8.746 -0.596 19012 1185 1 3 . 1 1 61 61 TYR N N 61 130.267 130.267 130.971 -0.704 19012 1186 1 3 . 1 1 61 61 TYR HA H 61 4.399 4.399 4.467 -0.068 19012 1187 1 3 . 1 1 61 61 TYR CA C 61 53.435 53.435 56.469 -3.034 19012 1188 1 3 . 1 1 61 61 TYR CB C 61 37.443 37.443 38.054 -0.611 19012 1189 1 3 . 1 1 61 61 TYR H H 61 9.304 9.304 9.133 0.171 19012 1190 1 3 . 1 1 62 62 ILE N N 62 129.152 129.152 128.160 0.992 19012 1191 1 3 . 1 1 62 62 ILE HA H 62 4.035 4.035 4.120 -0.085 19012 1192 1 3 . 1 1 62 62 ILE CA C 62 55.538 55.538 59.300 -3.762 19012 1193 1 3 . 1 1 62 62 ILE CB C 62 33.654 33.654 36.885 -3.231 19012 1194 1 3 . 1 1 62 62 ILE H H 62 8.326 8.326 8.635 -0.309 19012 1195 1 3 . 1 1 63 63 TYR N N 63 119.836 119.836 120.579 -0.743 19012 1196 1 3 . 1 1 63 63 TYR HA H 63 4.563 4.563 4.403 0.160 19012 1197 1 3 . 1 1 63 63 TYR CA C 63 52.035 52.035 56.535 -4.500 19012 1198 1 3 . 1 1 63 63 TYR CB C 63 36.267 36.267 40.495 -4.228 19012 1199 1 3 . 1 1 63 63 TYR H H 63 8.397 8.397 7.792 0.605 19012 1200 1 3 . 1 1 64 64 ASP N N 64 117.747 117.747 120.958 -3.211 19012 1201 1 3 . 1 1 64 64 ASP HA H 64 4.270 4.270 4.774 -0.504 19012 1202 1 3 . 1 1 64 64 ASP CA C 64 51.384 51.384 54.082 -2.698 19012 1203 1 3 . 1 1 64 64 ASP CB C 64 35.510 35.510 42.995 -7.485 19012 1204 1 3 . 1 1 64 64 ASP H H 64 8.570 8.570 7.253 1.317 19012 1205 1 3 . 1 1 65 65 VAL N N 65 117.619 117.619 122.941 -5.322 19012 1206 1 3 . 1 1 65 65 VAL HA H 65 4.329 4.329 5.130 -0.801 19012 1207 1 3 . 1 1 65 65 VAL CA C 65 61.015 61.015 60.593 0.422 19012 1208 1 3 . 1 1 65 65 VAL CB C 65 29.350 29.350 35.500 -6.150 19012 1209 1 3 . 1 1 65 65 VAL H H 65 8.116 8.116 8.144 -0.028 19012 1210 1 3 . 1 1 66 66 TYR N N 66 127.317 127.317 123.392 3.925 19012 1211 1 3 . 1 1 66 66 TYR HA H 66 4.567 4.567 5.101 -0.534 19012 1212 1 3 . 1 1 66 66 TYR CA C 66 53.116 53.116 56.221 -3.104 19012 1213 1 3 . 1 1 66 66 TYR CB C 66 39.090 39.090 39.919 -0.829 19012 1214 1 3 . 1 1 66 66 TYR H H 66 8.911 8.911 8.613 0.298 19012 1215 1 3 . 1 1 67 67 PRO HA H 67 3.778 3.778 4.524 -0.746 19012 1216 1 3 . 1 1 67 67 PRO CA C 67 60.736 60.736 64.088 -3.352 19012 1217 1 3 . 1 1 67 67 PRO CB C 67 32.039 32.039 31.875 0.164 19012 1218 1 3 . 1 1 68 68 ASP N N 68 122.446 122.446 120.113 2.333 19012 1219 1 3 . 1 1 68 68 ASP HA H 68 4.595 4.595 4.821 -0.226 19012 1220 1 3 . 1 1 68 68 ASP CA C 68 51.405 51.405 53.710 -2.305 19012 1221 1 3 . 1 1 68 68 ASP CB C 68 37.732 37.732 40.413 -2.681 19012 1222 1 3 . 1 1 68 68 ASP H H 68 8.017 8.017 8.034 -0.017 19012 1223 1 3 . 1 1 69 69 GLU N N 69 121.842 121.842 120.837 1.005 19012 1224 1 3 . 1 1 69 69 GLU HA H 69 4.167 4.167 4.221 -0.054 19012 1225 1 3 . 1 1 69 69 GLU CA C 69 54.191 54.191 56.560 -2.369 19012 1226 1 3 . 1 1 69 69 GLU CB C 69 27.200 27.200 30.431 -3.231 19012 1227 1 3 . 1 1 69 69 GLU H H 69 8.109 8.109 8.426 -0.317 19012 1228 1 3 . 1 1 70 70 LYS N N 70 121.975 121.975 122.493 -0.518 19012 1229 1 3 . 1 1 70 70 LYS HA H 70 4.532 4.532 4.450 0.082 19012 1230 1 3 . 1 1 70 70 LYS CA C 70 52.097 52.097 54.777 -2.680 19012 1231 1 3 . 1 1 70 70 LYS CB C 70 33.247 33.247 33.673 -0.426 19012 1232 1 3 . 1 1 70 70 LYS H H 70 7.646 7.646 8.381 -0.735 19012 1233 1 3 . 1 1 71 71 THR N N 71 120.177 120.177 116.672 3.505 19012 1234 1 3 . 1 1 71 71 THR HA H 71 4.386 4.386 4.433 -0.047 19012 1235 1 3 . 1 1 71 71 THR CA C 71 58.759 58.759 60.281 -1.522 19012 1236 1 3 . 1 1 71 71 THR CB C 71 66.724 66.724 69.330 -2.606 19012 1237 1 3 . 1 1 71 71 THR H H 71 8.258 8.258 8.321 -0.063 19012 1238 1 3 . 1 1 72 72 PRO HA H 72 4.389 4.389 4.193 0.196 19012 1239 1 3 . 1 1 72 72 PRO CA C 72 61.688 61.688 62.894 -1.206 19012 1240 1 3 . 1 1 72 72 PRO CB C 72 31.440 31.440 32.362 -0.922 19012 1241 1 3 . 1 1 73 73 TYR N N 73 118.747 118.747 118.304 0.443 19012 1242 1 3 . 1 1 73 73 TYR HA H 73 4.857 4.857 4.918 -0.061 19012 1243 1 3 . 1 1 73 73 TYR CA C 73 52.643 52.643 55.506 -2.863 19012 1244 1 3 . 1 1 73 73 TYR CB C 73 37.470 37.470 39.495 -2.026 19012 1245 1 3 . 1 1 73 73 TYR H H 73 7.988 7.988 7.745 0.243 19012 1246 1 3 . 1 1 74 74 TYR N N 74 114.692 114.692 119.413 -4.721 19012 1247 1 3 . 1 1 74 74 TYR HA H 74 5.548 5.548 5.471 0.077 19012 1248 1 3 . 1 1 74 74 TYR CA C 74 53.855 53.855 57.504 -3.648 19012 1249 1 3 . 1 1 74 74 TYR CB C 74 39.316 39.316 40.071 -0.755 19012 1250 1 3 . 1 1 74 74 TYR H H 74 8.370 8.370 8.658 -0.288 19012 1251 1 3 . 1 1 75 75 LEU N N 75 120.717 120.717 125.859 -5.142 19012 1252 1 3 . 1 1 75 75 LEU HA H 75 4.456 4.456 4.690 -0.234 19012 1253 1 3 . 1 1 75 75 LEU CA C 75 50.648 50.648 53.468 -2.820 19012 1254 1 3 . 1 1 75 75 LEU CB C 75 41.979 41.979 44.137 -2.158 19012 1255 1 3 . 1 1 75 75 LEU H H 75 9.467 9.467 9.068 0.399 19012 1256 1 3 . 1 1 76 76 ASP N N 76 123.675 123.675 121.520 2.155 19012 1257 1 3 . 1 1 76 76 ASP HA H 76 5.041 5.041 4.639 0.402 19012 1258 1 3 . 1 1 76 76 ASP CA C 76 51.324 51.324 54.558 -3.234 19012 1259 1 3 . 1 1 76 76 ASP CB C 76 39.376 39.376 41.079 -1.703 19012 1260 1 3 . 1 1 76 76 ASP H H 76 7.825 7.825 8.771 -0.946 19012 1261 1 3 . 1 1 77 77 CYS N N 77 118.147 118.147 117.998 0.149 19012 1262 1 3 . 1 1 77 77 CYS HA H 77 5.514 5.514 5.296 0.218 19012 1263 1 3 . 1 1 77 77 CYS CA C 77 53.205 53.205 55.945 -2.740 19012 1264 1 3 . 1 1 77 77 CYS CB C 77 30.347 30.347 32.326 -1.979 19012 1265 1 3 . 1 1 77 77 CYS H H 77 8.504 8.504 8.265 0.239 19012 1266 1 3 . 1 1 78 78 LYS N N 78 119.791 119.791 117.766 2.025 19012 1267 1 3 . 1 1 78 78 LYS HA H 78 4.398 4.398 4.509 -0.111 19012 1268 1 3 . 1 1 78 78 LYS CA C 78 52.033 52.033 54.431 -2.398 19012 1269 1 3 . 1 1 78 78 LYS CB C 78 33.618 33.618 35.704 -2.086 19012 1270 1 3 . 1 1 78 78 LYS H H 78 8.483 8.483 8.304 0.179 19012 1271 1 3 . 1 1 79 79 ILE N N 79 122.179 122.179 118.251 3.928 19012 1272 1 3 . 1 1 79 79 ILE HA H 79 5.410 5.410 4.943 0.467 19012 1273 1 3 . 1 1 79 79 ILE CA C 79 56.581 56.581 59.648 -3.067 19012 1274 1 3 . 1 1 79 79 ILE CB C 79 41.302 41.302 41.816 -0.514 19012 1275 1 3 . 1 1 79 79 ILE H H 79 8.923 8.923 8.556 0.367 19012 1276 1 3 . 1 1 80 80 SER N N 80 122.640 122.640 120.211 2.429 19012 1277 1 3 . 1 1 80 80 SER HA H 80 4.760 4.760 4.911 -0.151 19012 1278 1 3 . 1 1 80 80 SER CB C 80 62.504 62.504 65.122 -2.618 19012 1279 1 3 . 1 1 80 80 SER H H 80 9.150 9.150 9.368 -0.218 19012 1280 1 3 . 1 1 81 81 GLY N N 81 111.781 111.781 110.395 1.386 19012 1281 1 3 . 1 1 81 81 GLY CA C 81 44.910 44.910 46.079 -1.169 19012 1282 1 3 . 1 1 81 81 GLY H H 81 8.832 8.832 8.462 0.370 19012 1283 1 3 . 1 1 82 82 THR N N 82 110.902 110.902 111.458 -0.556 19012 1284 1 3 . 1 1 82 82 THR HA H 82 4.541 4.541 4.581 -0.040 19012 1285 1 3 . 1 1 82 82 THR CA C 82 58.833 58.833 62.235 -3.402 19012 1286 1 3 . 1 1 82 82 THR H H 82 8.284 8.284 8.032 0.252 19012 1287 1 3 . 1 1 83 83 THR N N 83 119.808 119.808 119.229 0.579 19012 1288 1 3 . 1 1 83 83 THR HA H 83 5.576 5.576 4.941 0.635 19012 1289 1 3 . 1 1 83 83 THR CA C 83 59.711 59.711 62.250 -2.539 19012 1290 1 3 . 1 1 83 83 THR CB C 83 68.486 68.486 68.974 -0.488 19012 1291 1 3 . 1 1 83 83 THR H H 83 8.178 8.178 7.969 0.209 19012 1292 1 3 . 1 1 84 84 LEU N N 84 128.946 128.946 129.184 -0.238 19012 1293 1 3 . 1 1 84 84 LEU HA H 84 4.787 4.787 4.157 0.630 19012 1294 1 3 . 1 1 84 84 LEU CA C 84 50.979 50.979 54.376 -3.397 19012 1295 1 3 . 1 1 84 84 LEU CB C 84 43.114 43.114 42.380 0.734 19012 1296 1 3 . 1 1 84 84 LEU H H 84 9.103 9.103 9.224 -0.121 19012 1297 1 3 . 1 1 85 85 LYS N N 85 129.439 129.439 128.954 0.485 19012 1298 1 3 . 1 1 85 85 LYS HA H 85 5.220 5.220 4.544 0.676 19012 1299 1 3 . 1 1 85 85 LYS CA C 85 52.028 52.028 54.209 -2.181 19012 1300 1 3 . 1 1 85 85 LYS CB C 85 32.656 32.656 32.716 -0.060 19012 1301 1 3 . 1 1 85 85 LYS H H 85 9.336 9.336 8.506 0.830 19012 1302 1 3 . 1 1 86 86 VAL N N 86 127.719 127.719 127.881 -0.162 19012 1303 1 3 . 1 1 86 86 VAL HA H 86 4.279 4.279 3.833 0.446 19012 1304 1 3 . 1 1 86 86 VAL CA C 86 59.179 59.179 63.177 -3.998 19012 1305 1 3 . 1 1 86 86 VAL CB C 86 29.826 29.826 32.154 -2.328 19012 1306 1 3 . 1 1 86 86 VAL H H 86 9.122 9.122 8.638 0.484 19012 1307 1 3 . 1 1 87 87 GLU N N 87 126.504 126.504 127.841 -1.337 19012 1308 1 3 . 1 1 87 87 GLU HA H 87 4.215 4.215 4.242 -0.027 19012 1309 1 3 . 1 1 87 87 GLU CA C 87 55.427 55.427 58.788 -3.361 19012 1310 1 3 . 1 1 87 87 GLU CB C 87 29.038 29.038 30.675 -1.637 19012 1311 1 3 . 1 1 87 87 GLU H H 87 8.960 8.960 8.814 0.146 19012 1312 1 3 . 1 1 88 88 THR N N 88 109.146 109.146 110.548 -1.402 19012 1313 1 3 . 1 1 88 88 THR HA H 88 4.560 4.560 4.464 0.096 19012 1314 1 3 . 1 1 88 88 THR CA C 88 57.802 57.802 60.721 -2.919 19012 1315 1 3 . 1 1 88 88 THR CB C 88 69.805 69.805 70.434 -0.629 19012 1316 1 3 . 1 1 88 88 THR H H 88 7.079 7.079 7.532 -0.453 19012 1317 1 3 . 1 1 89 89 GLY N N 89 102.665 102.665 108.439 -5.774 19012 1318 1 3 . 1 1 89 89 GLY CA C 89 42.083 42.083 44.617 -2.534 19012 1319 1 3 . 1 1 89 89 GLY H H 89 7.984 7.984 8.096 -0.112 19012 1320 1 3 . 1 1 90 90 SER N N 90 118.973 118.973 115.683 3.290 19012 1321 1 3 . 1 1 90 90 SER HA H 90 4.103 4.103 4.279 -0.176 19012 1322 1 3 . 1 1 90 90 SER CA C 90 58.840 58.840 60.560 -1.720 19012 1323 1 3 . 1 1 90 90 SER CB C 90 60.079 60.079 62.778 -2.699 19012 1324 1 3 . 1 1 90 90 SER H H 90 8.854 8.854 8.694 0.160 19012 1325 1 3 . 1 1 91 91 GLU N N 91 120.699 120.699 119.094 1.605 19012 1326 1 3 . 1 1 91 91 GLU HA H 91 3.676 3.676 4.359 -0.683 19012 1327 1 3 . 1 1 91 91 GLU CA C 91 54.571 54.571 55.992 -1.421 19012 1328 1 3 . 1 1 91 91 GLU CB C 91 26.627 26.627 28.976 -2.349 19012 1329 1 3 . 1 1 91 91 GLU H H 91 10.220 10.220 8.111 2.109 19012 1330 1 3 . 1 1 92 92 ALA N N 92 121.411 121.411 123.438 -2.027 19012 1331 1 3 . 1 1 92 92 ALA HA H 92 3.691 3.691 4.264 -0.573 19012 1332 1 3 . 1 1 92 92 ALA CA C 92 50.916 50.916 53.028 -2.112 19012 1333 1 3 . 1 1 92 92 ALA CB C 92 16.118 16.118 18.203 -2.085 19012 1334 1 3 . 1 1 92 92 ALA H H 92 7.014 7.014 7.243 -0.229 19012 1335 1 3 . 1 1 93 93 GLY N N 93 109.056 109.056 110.976 -1.920 19012 1336 1 3 . 1 1 93 93 GLY CA C 93 42.601 42.601 45.234 -2.633 19012 1337 1 3 . 1 1 93 93 GLY H H 93 8.706 8.706 7.723 0.983 19012 1338 1 3 . 1 1 94 94 THR N N 94 117.255 117.255 115.914 1.341 19012 1339 1 3 . 1 1 94 94 THR HA H 94 4.831 4.831 5.021 -0.190 19012 1340 1 3 . 1 1 94 94 THR CA C 94 60.491 60.491 60.991 -0.500 19012 1341 1 3 . 1 1 94 94 THR CB C 94 66.403 66.403 70.281 -3.878 19012 1342 1 3 . 1 1 94 94 THR H H 94 8.637 8.637 7.989 0.648 19012 1343 1 3 . 1 1 95 95 TYR N N 95 127.051 127.051 126.224 0.827 19012 1344 1 3 . 1 1 95 95 TYR HA H 95 4.564 4.564 5.391 -0.827 19012 1345 1 3 . 1 1 95 95 TYR CA C 95 53.889 53.889 56.508 -2.619 19012 1346 1 3 . 1 1 95 95 TYR CB C 95 39.733 39.733 41.120 -1.387 19012 1347 1 3 . 1 1 95 95 TYR H H 95 10.060 10.060 9.001 1.059 19012 1348 1 3 . 1 1 96 96 LYS N N 96 119.487 119.487 123.117 -3.630 19012 1349 1 3 . 1 1 96 96 LYS HA H 96 5.668 5.668 4.719 0.949 19012 1350 1 3 . 1 1 96 96 LYS CA C 96 50.781 50.781 54.535 -3.754 19012 1351 1 3 . 1 1 96 96 LYS CB C 96 31.840 31.840 32.266 -0.425 19012 1352 1 3 . 1 1 96 96 LYS H H 96 8.960 8.960 8.435 0.525 19012 1353 1 3 . 1 1 97 97 LYS N N 97 128.866 128.866 117.369 11.497 19012 1354 1 3 . 1 1 97 97 LYS HA H 97 3.701 3.701 3.739 -0.038 19012 1355 1 3 . 1 1 97 97 LYS CA C 97 55.022 55.022 57.440 -2.418 19012 1356 1 3 . 1 1 97 97 LYS CB C 97 30.744 30.744 32.098 -1.354 19012 1357 1 3 . 1 1 97 97 LYS H H 97 8.729 8.729 8.488 0.241 19012 1358 1 3 . 1 1 98 98 GLN N N 98 127.056 127.056 120.749 6.307 19012 1359 1 3 . 1 1 98 98 GLN HA H 98 4.244 4.244 4.468 -0.224 19012 1360 1 3 . 1 1 98 98 GLN CA C 98 52.689 52.689 55.174 -2.485 19012 1361 1 3 . 1 1 98 98 GLN CB C 98 28.065 28.065 29.502 -1.437 19012 1362 1 3 . 1 1 98 98 GLN H H 98 8.992 8.992 8.247 0.745 19012 1363 1 4 . 1 1 2 2 GLU N N 2 119.968 119.968 122.073 -2.105 19012 1364 1 4 . 1 1 2 2 GLU HA H 2 4.009 4.009 4.496 -0.487 19012 1365 1 4 . 1 1 2 2 GLU CA C 2 53.190 53.190 55.863 -2.673 19012 1366 1 4 . 1 1 2 2 GLU CB C 2 27.574 27.574 30.091 -2.517 19012 1367 1 4 . 1 1 2 2 GLU H H 2 8.212 8.212 8.395 -0.183 19012 1368 1 4 . 1 1 3 3 ASP N N 3 122.057 122.057 122.831 -0.774 19012 1369 1 4 . 1 1 3 3 ASP HA H 3 4.509 4.509 4.706 -0.197 19012 1370 1 4 . 1 1 3 3 ASP CA C 3 50.691 50.691 54.126 -3.434 19012 1371 1 4 . 1 1 3 3 ASP CB C 3 38.121 38.121 40.946 -2.825 19012 1372 1 4 . 1 1 3 3 ASP H H 3 8.209 8.209 8.273 -0.064 19012 1373 1 4 . 1 1 4 4 TRP N N 4 121.397 121.397 123.823 -2.426 19012 1374 1 4 . 1 1 4 4 TRP HA H 4 4.749 4.749 5.054 -0.305 19012 1375 1 4 . 1 1 4 4 TRP CA C 4 53.792 53.792 55.861 -2.069 19012 1376 1 4 . 1 1 4 4 TRP CB C 4 27.994 27.994 31.977 -3.983 19012 1377 1 4 . 1 1 4 4 TRP H H 4 7.614 7.614 7.992 -0.378 19012 1378 1 4 . 1 1 5 5 THR N N 5 117.669 117.669 114.781 2.888 19012 1379 1 4 . 1 1 5 5 THR HA H 5 4.733 4.733 4.585 0.148 19012 1380 1 4 . 1 1 5 5 THR CA C 5 57.170 57.170 61.111 -3.941 19012 1381 1 4 . 1 1 5 5 THR CB C 5 68.444 68.444 70.602 -2.158 19012 1382 1 4 . 1 1 5 5 THR H H 5 9.387 9.387 9.098 0.289 19012 1383 1 4 . 1 1 6 6 GLU N N 6 121.359 121.359 120.535 0.824 19012 1384 1 4 . 1 1 6 6 GLU HA H 6 4.283 4.283 4.136 0.147 19012 1385 1 4 . 1 1 6 6 GLU CA C 6 53.743 53.743 57.022 -3.279 19012 1386 1 4 . 1 1 6 6 GLU CB C 6 28.184 28.184 30.126 -1.942 19012 1387 1 4 . 1 1 6 6 GLU H H 6 8.027 8.027 8.644 -0.617 19012 1388 1 4 . 1 1 7 7 LEU N N 7 126.701 126.701 127.749 -1.048 19012 1389 1 4 . 1 1 7 7 LEU HA H 7 4.217 4.217 4.245 -0.028 19012 1390 1 4 . 1 1 7 7 LEU CA C 7 52.720 52.720 55.621 -2.901 19012 1391 1 4 . 1 1 7 7 LEU CB C 7 40.595 40.595 42.209 -1.614 19012 1392 1 4 . 1 1 7 7 LEU H H 7 8.626 8.626 8.535 0.091 19012 1393 1 4 . 1 1 8 8 ASN N N 8 121.528 121.528 122.750 -1.222 19012 1394 1 4 . 1 1 8 8 ASN HA H 8 4.611 4.611 5.022 -0.411 19012 1395 1 4 . 1 1 8 8 ASN CA C 8 49.652 49.652 52.321 -2.669 19012 1396 1 4 . 1 1 8 8 ASN CB C 8 38.102 38.102 41.456 -3.354 19012 1397 1 4 . 1 1 8 8 ASN H H 8 9.218 9.218 8.436 0.782 19012 1398 1 4 . 1 1 9 9 SER N N 9 109.319 109.319 118.097 -8.778 19012 1399 1 4 . 1 1 9 9 SER HA H 9 4.045 4.045 4.156 -0.111 19012 1400 1 4 . 1 1 9 9 SER CA C 9 58.381 58.381 61.420 -3.039 19012 1401 1 4 . 1 1 9 9 SER CB C 9 60.521 60.521 63.128 -2.607 19012 1402 1 4 . 1 1 9 9 SER H H 9 8.268 8.268 8.806 -0.538 19012 1403 1 4 . 1 1 10 10 ASN N N 10 117.403 117.403 117.722 -0.319 19012 1404 1 4 . 1 1 10 10 ASN HA H 10 4.872 4.872 4.533 0.339 19012 1405 1 4 . 1 1 10 10 ASN CA C 10 52.508 52.508 55.685 -3.178 19012 1406 1 4 . 1 1 10 10 ASN CB C 10 37.905 37.905 38.301 -0.397 19012 1407 1 4 . 1 1 10 10 ASN H H 10 8.610 8.610 8.613 -0.003 19012 1408 1 4 . 1 1 11 11 ASN N N 11 119.053 119.053 116.113 2.940 19012 1409 1 4 . 1 1 11 11 ASN HA H 11 4.396 4.396 4.802 -0.406 19012 1410 1 4 . 1 1 11 11 ASN CA C 11 51.832 51.832 54.090 -2.258 19012 1411 1 4 . 1 1 11 11 ASN CB C 11 34.355 34.355 39.284 -4.929 19012 1412 1 4 . 1 1 11 11 ASN H H 11 8.614 8.614 7.704 0.910 19012 1413 1 4 . 1 1 12 12 ILE N N 12 117.943 117.943 118.524 -0.581 19012 1414 1 4 . 1 1 12 12 ILE HA H 12 4.185 4.185 4.233 -0.048 19012 1415 1 4 . 1 1 12 12 ILE CA C 12 55.309 55.309 60.312 -5.003 19012 1416 1 4 . 1 1 12 12 ILE CB C 12 36.651 36.651 38.577 -1.925 19012 1417 1 4 . 1 1 12 12 ILE H H 12 7.041 7.041 7.559 -0.518 19012 1418 1 4 . 1 1 13 13 ILE N N 13 118.354 118.354 121.048 -2.694 19012 1419 1 4 . 1 1 13 13 ILE HA H 13 3.800 3.800 4.314 -0.514 19012 1420 1 4 . 1 1 13 13 ILE CA C 13 58.469 58.469 60.991 -2.522 19012 1421 1 4 . 1 1 13 13 ILE CB C 13 34.584 34.584 35.435 -0.852 19012 1422 1 4 . 1 1 13 13 ILE H H 13 6.635 6.635 7.389 -0.754 19012 1423 1 4 . 1 1 14 14 GLY N N 14 114.150 114.150 113.427 0.723 19012 1424 1 4 . 1 1 14 14 GLY CA C 14 41.496 41.496 44.534 -3.038 19012 1425 1 4 . 1 1 14 14 GLY H H 14 8.842 8.842 8.834 0.008 19012 1426 1 4 . 1 1 15 15 TYR N N 15 119.014 119.014 119.213 -0.199 19012 1427 1 4 . 1 1 15 15 TYR HA H 15 4.961 4.961 5.036 -0.075 19012 1428 1 4 . 1 1 15 15 TYR CA C 15 54.499 54.499 56.773 -2.274 19012 1429 1 4 . 1 1 15 15 TYR CB C 15 38.075 38.075 39.807 -1.732 19012 1430 1 4 . 1 1 15 15 TYR H H 15 8.264 8.264 8.303 -0.039 19012 1431 1 4 . 1 1 16 16 TRP N N 16 124.101 124.101 119.800 4.301 19012 1432 1 4 . 1 1 16 16 TRP HA H 16 5.175 5.175 4.985 0.190 19012 1433 1 4 . 1 1 16 16 TRP CA C 16 52.970 52.970 57.050 -4.080 19012 1434 1 4 . 1 1 16 16 TRP CB C 16 28.341 28.341 32.622 -4.281 19012 1435 1 4 . 1 1 16 16 TRP H H 16 9.497 9.497 8.909 0.588 19012 1436 1 4 . 1 1 17 17 SER N N 17 115.863 115.863 115.231 0.632 19012 1437 1 4 . 1 1 17 17 SER HA H 17 6.272 6.272 5.773 0.499 19012 1438 1 4 . 1 1 17 17 SER CA C 17 53.039 53.039 57.288 -4.249 19012 1439 1 4 . 1 1 17 17 SER CB C 17 63.415 63.415 66.478 -3.063 19012 1440 1 4 . 1 1 17 17 SER H H 17 9.182 9.182 8.642 0.540 19012 1441 1 4 . 1 1 18 18 THR N N 18 119.520 119.520 115.611 3.909 19012 1442 1 4 . 1 1 18 18 THR CB C 18 67.199 67.199 69.370 -2.171 19012 1443 1 4 . 1 1 18 18 THR H H 18 8.996 8.996 8.496 0.500 19012 1444 1 4 . 1 1 19 19 GLY N N 19 110.006 110.006 109.069 0.937 19012 1445 1 4 . 1 1 19 19 GLY CA C 19 42.615 42.615 44.528 -1.913 19012 1446 1 4 . 1 1 19 19 GLY H H 19 8.206 8.206 7.750 0.456 19012 1447 1 4 . 1 1 20 20 ILE N N 20 111.313 111.313 113.549 -2.236 19012 1448 1 4 . 1 1 20 20 ILE HA H 20 3.519 3.519 3.753 -0.234 19012 1449 1 4 . 1 1 20 20 ILE CA C 20 57.765 57.765 60.678 -2.913 19012 1450 1 4 . 1 1 20 20 ILE CB C 20 37.839 37.839 39.364 -1.525 19012 1451 1 4 . 1 1 20 20 ILE H H 20 7.953 7.953 8.121 -0.168 19012 1452 1 4 . 1 1 21 21 GLU N N 21 119.547 119.547 120.036 -0.489 19012 1453 1 4 . 1 1 21 21 GLU HA H 21 4.463 4.463 4.526 -0.063 19012 1454 1 4 . 1 1 21 21 GLU CA C 21 52.227 52.227 55.529 -3.302 19012 1455 1 4 . 1 1 21 21 GLU CB C 21 29.468 29.468 31.698 -2.230 19012 1456 1 4 . 1 1 21 21 GLU H H 21 7.514 7.514 7.892 -0.378 19012 1457 1 4 . 1 1 22 22 GLY N N 22 109.534 109.534 111.486 -1.952 19012 1458 1 4 . 1 1 22 22 GLY CA C 22 43.582 43.582 46.485 -2.903 19012 1459 1 4 . 1 1 22 22 GLY H H 22 8.457 8.457 8.582 -0.125 19012 1460 1 4 . 1 1 23 23 THR N N 23 124.632 124.632 119.832 4.800 19012 1461 1 4 . 1 1 23 23 THR HA H 23 5.271 5.271 5.111 0.160 19012 1462 1 4 . 1 1 23 23 THR CA C 23 60.060 60.060 61.904 -1.844 19012 1463 1 4 . 1 1 23 23 THR CB C 23 65.680 65.680 71.094 -5.414 19012 1464 1 4 . 1 1 23 23 THR H H 23 8.881 8.881 8.037 0.844 19012 1465 1 4 . 1 1 24 24 HIS N N 24 122.881 122.881 122.980 -0.099 19012 1466 1 4 . 1 1 24 24 HIS HA H 24 4.780 4.780 5.029 -0.249 19012 1467 1 4 . 1 1 24 24 HIS CA C 24 50.970 50.970 53.785 -2.815 19012 1468 1 4 . 1 1 24 24 HIS CB C 24 27.898 27.898 32.546 -4.648 19012 1469 1 4 . 1 1 24 24 HIS H H 24 8.919 8.919 9.286 -0.367 19012 1470 1 4 . 1 1 25 25 LYS N N 25 119.738 119.738 119.367 0.371 19012 1471 1 4 . 1 1 25 25 LYS HA H 25 5.437 5.437 4.753 0.684 19012 1472 1 4 . 1 1 25 25 LYS CA C 25 52.650 52.650 55.858 -3.208 19012 1473 1 4 . 1 1 25 25 LYS CB C 25 33.277 33.277 35.844 -2.567 19012 1474 1 4 . 1 1 25 25 LYS H H 25 8.816 8.816 8.867 -0.051 19012 1475 1 4 . 1 1 26 26 LEU N N 26 126.017 126.017 123.355 2.662 19012 1476 1 4 . 1 1 26 26 LEU HA H 26 5.825 5.825 5.444 0.381 19012 1477 1 4 . 1 1 26 26 LEU CA C 26 51.614 51.614 53.081 -1.467 19012 1478 1 4 . 1 1 26 26 LEU CB C 26 44.544 44.544 46.112 -1.568 19012 1479 1 4 . 1 1 26 26 LEU H H 26 9.420 9.420 8.379 1.041 19012 1480 1 4 . 1 1 27 27 LEU N N 27 128.825 128.825 123.539 5.286 19012 1481 1 4 . 1 1 27 27 LEU HA H 27 5.417 5.417 5.249 0.168 19012 1482 1 4 . 1 1 27 27 LEU CA C 27 50.740 50.740 53.111 -2.371 19012 1483 1 4 . 1 1 27 27 LEU CB C 27 44.569 44.569 46.451 -1.882 19012 1484 1 4 . 1 1 27 27 LEU H H 27 9.475 9.475 8.842 0.633 19012 1485 1 4 . 1 1 28 28 SER N N 28 117.701 117.701 114.298 3.403 19012 1486 1 4 . 1 1 28 28 SER HA H 28 5.337 5.337 5.085 0.252 19012 1487 1 4 . 1 1 28 28 SER CA C 28 53.530 53.530 56.269 -2.739 19012 1488 1 4 . 1 1 28 28 SER CB C 28 63.368 63.368 65.240 -1.872 19012 1489 1 4 . 1 1 28 28 SER H H 28 8.859 8.859 7.753 1.106 19012 1490 1 4 . 1 1 29 29 PHE N N 29 117.319 117.319 121.434 -4.115 19012 1491 1 4 . 1 1 29 29 PHE HA H 29 4.679 4.679 4.663 0.016 19012 1492 1 4 . 1 1 29 29 PHE CA C 29 54.565 54.565 57.434 -2.869 19012 1493 1 4 . 1 1 29 29 PHE CB C 29 39.104 39.104 42.648 -3.545 19012 1494 1 4 . 1 1 29 29 PHE H H 29 8.401 8.401 8.280 0.121 19012 1495 1 4 . 1 1 30 30 ASP N N 30 123.741 123.741 124.184 -0.443 19012 1496 1 4 . 1 1 30 30 ASP HA H 30 5.217 5.217 5.040 0.177 19012 1497 1 4 . 1 1 30 30 ASP CA C 30 50.408 50.408 52.827 -2.419 19012 1498 1 4 . 1 1 30 30 ASP CB C 30 41.148 41.148 43.254 -2.106 19012 1499 1 4 . 1 1 30 30 ASP H H 30 9.573 9.573 8.162 1.411 19012 1500 1 4 . 1 1 31 31 GLU N N 31 127.123 127.123 119.246 7.877 19012 1501 1 4 . 1 1 31 31 GLU HA H 31 4.127 4.127 4.283 -0.156 19012 1502 1 4 . 1 1 31 31 GLU CA C 31 56.324 56.324 58.267 -1.943 19012 1503 1 4 . 1 1 31 31 GLU CB C 31 27.283 27.283 29.921 -2.638 19012 1504 1 4 . 1 1 31 31 GLU H H 31 9.718 9.718 8.613 1.105 19012 1505 1 4 . 1 1 32 32 ASP N N 32 119.011 119.011 118.020 0.991 19012 1506 1 4 . 1 1 32 32 ASP HA H 32 4.443 4.443 4.802 -0.359 19012 1507 1 4 . 1 1 32 32 ASP CA C 32 50.919 50.919 53.944 -3.025 19012 1508 1 4 . 1 1 32 32 ASP CB C 32 37.344 37.344 41.987 -4.643 19012 1509 1 4 . 1 1 32 32 ASP H H 32 8.911 8.911 8.135 0.776 19012 1510 1 4 . 1 1 33 33 GLY N N 33 106.215 106.215 109.264 -3.049 19012 1511 1 4 . 1 1 33 33 GLY CA C 33 43.879 43.879 44.954 -1.075 19012 1512 1 4 . 1 1 33 33 GLY H H 33 7.781 7.781 8.085 -0.304 19012 1513 1 4 . 1 1 34 34 THR N N 34 111.570 111.570 112.095 -0.525 19012 1514 1 4 . 1 1 34 34 THR HA H 34 5.474 5.474 4.552 0.922 19012 1515 1 4 . 1 1 34 34 THR CA C 34 57.389 57.389 60.825 -3.436 19012 1516 1 4 . 1 1 34 34 THR CB C 34 69.991 69.991 71.544 -1.553 19012 1517 1 4 . 1 1 34 34 THR H H 34 7.863 7.863 7.717 0.146 19012 1518 1 4 . 1 1 35 35 GLY N N 35 106.781 106.781 107.070 -0.289 19012 1519 1 4 . 1 1 35 35 GLY CA C 35 43.233 43.233 44.275 -1.042 19012 1520 1 4 . 1 1 35 35 GLY H H 35 8.235 8.235 8.279 -0.044 19012 1521 1 4 . 1 1 36 36 SER N N 36 113.807 113.807 112.288 1.519 19012 1522 1 4 . 1 1 36 36 SER HA H 36 4.659 4.659 4.704 -0.045 19012 1523 1 4 . 1 1 36 36 SER CA C 36 54.509 54.509 57.561 -3.052 19012 1524 1 4 . 1 1 36 36 SER CB C 36 64.821 64.821 66.398 -1.577 19012 1525 1 4 . 1 1 36 36 SER H H 36 8.182 8.182 8.262 -0.080 19012 1526 1 4 . 1 1 37 37 PHE N N 37 120.041 120.041 123.206 -3.165 19012 1527 1 4 . 1 1 37 37 PHE HA H 37 5.885 5.885 5.209 0.676 19012 1528 1 4 . 1 1 37 37 PHE CA C 37 52.308 52.308 55.890 -3.582 19012 1529 1 4 . 1 1 37 37 PHE CB C 37 41.174 41.174 42.610 -1.436 19012 1530 1 4 . 1 1 37 37 PHE H H 37 8.829 8.829 8.467 0.362 19012 1531 1 4 . 1 1 38 38 GLY N N 38 115.263 115.263 115.978 -0.715 19012 1532 1 4 . 1 1 38 38 GLY CA C 38 42.092 42.092 43.593 -1.501 19012 1533 1 4 . 1 1 38 38 GLY H H 38 8.936 8.936 8.510 0.426 19012 1534 1 4 . 1 1 39 39 ILE N N 39 119.791 119.791 125.545 -5.754 19012 1535 1 4 . 1 1 39 39 ILE HA H 39 4.292 4.292 4.082 0.210 19012 1536 1 4 . 1 1 39 39 ILE CA C 39 58.280 58.280 61.682 -3.402 19012 1537 1 4 . 1 1 39 39 ILE CB C 39 36.838 36.838 38.654 -1.816 19012 1538 1 4 . 1 1 39 39 ILE H H 39 7.724 7.724 8.265 -0.541 19012 1539 1 4 . 1 1 40 40 TYR N N 40 125.748 125.748 126.100 -0.352 19012 1540 1 4 . 1 1 40 40 TYR HA H 40 4.742 4.742 4.954 -0.212 19012 1541 1 4 . 1 1 40 40 TYR CA C 40 53.881 53.881 56.456 -2.575 19012 1542 1 4 . 1 1 40 40 TYR CB C 40 39.894 39.894 41.238 -1.344 19012 1543 1 4 . 1 1 40 40 TYR H H 40 8.782 8.782 8.994 -0.212 19012 1544 1 4 . 1 1 41 41 SER N N 41 114.721 114.721 120.418 -5.697 19012 1545 1 4 . 1 1 41 41 SER HA H 41 4.689 4.689 4.662 0.027 19012 1546 1 4 . 1 1 41 41 SER CA C 41 53.337 53.337 59.006 -5.669 19012 1547 1 4 . 1 1 41 41 SER CB C 41 60.205 60.205 63.077 -2.872 19012 1548 1 4 . 1 1 41 41 SER H H 41 8.708 8.708 8.956 -0.248 19012 1549 1 4 . 1 1 42 42 ASN N N 42 124.063 124.063 126.839 -2.776 19012 1550 1 4 . 1 1 42 42 ASN HA H 42 4.298 4.298 4.349 -0.051 19012 1551 1 4 . 1 1 42 42 ASN CA C 42 54.083 54.083 56.986 -2.903 19012 1552 1 4 . 1 1 42 42 ASN CB C 42 34.720 34.720 38.064 -3.344 19012 1553 1 4 . 1 1 42 42 ASN H H 42 9.239 9.239 9.093 0.146 19012 1554 1 4 . 1 1 43 43 ALA N N 43 125.505 125.505 122.033 3.472 19012 1555 1 4 . 1 1 43 43 ALA HA H 43 4.576 4.576 4.806 -0.230 19012 1556 1 4 . 1 1 43 43 ALA CA C 43 50.170 50.170 52.283 -2.113 19012 1557 1 4 . 1 1 43 43 ALA CB C 43 16.678 16.678 20.855 -4.177 19012 1558 1 4 . 1 1 43 43 ALA H H 43 8.468 8.468 7.942 0.526 19012 1559 1 4 . 1 1 44 44 THR N N 44 119.056 119.056 118.439 0.617 19012 1560 1 4 . 1 1 44 44 THR HA H 44 4.550 4.550 4.835 -0.285 19012 1561 1 4 . 1 1 44 44 THR CA C 44 58.028 58.028 59.834 -1.806 19012 1562 1 4 . 1 1 44 44 THR CB C 44 68.176 68.176 69.419 -1.243 19012 1563 1 4 . 1 1 44 44 THR H H 44 8.420 8.420 8.215 0.205 19012 1564 1 4 . 1 1 45 45 PRO HA H 45 3.797 3.797 4.145 -0.348 19012 1565 1 4 . 1 1 45 45 PRO CA C 45 60.280 60.280 62.942 -2.662 19012 1566 1 4 . 1 1 45 45 PRO CB C 45 28.488 28.488 31.793 -3.304 19012 1567 1 4 . 1 1 46 46 ILE N N 46 124.607 124.607 122.448 2.159 19012 1568 1 4 . 1 1 46 46 ILE HA H 46 4.023 4.023 4.317 -0.294 19012 1569 1 4 . 1 1 46 46 ILE CA C 46 58.609 58.609 60.845 -2.236 19012 1570 1 4 . 1 1 46 46 ILE CB C 46 35.652 35.652 38.308 -2.656 19012 1571 1 4 . 1 1 46 46 ILE H H 46 8.998 8.998 8.389 0.609 19012 1572 1 4 . 1 1 47 47 SER N N 47 112.826 112.826 115.529 -2.703 19012 1573 1 4 . 1 1 47 47 SER HA H 47 4.474 4.474 4.658 -0.184 19012 1574 1 4 . 1 1 47 47 SER CA C 47 54.926 54.926 57.896 -2.970 19012 1575 1 4 . 1 1 47 47 SER CB C 47 62.419 62.419 65.046 -2.627 19012 1576 1 4 . 1 1 47 47 SER H H 47 7.439 7.439 7.364 0.075 19012 1577 1 4 . 1 1 48 48 PHE N N 48 123.266 123.266 120.814 2.452 19012 1578 1 4 . 1 1 48 48 PHE HA H 48 5.194 5.194 4.840 0.354 19012 1579 1 4 . 1 1 48 48 PHE CA C 48 55.624 55.624 58.169 -2.545 19012 1580 1 4 . 1 1 48 48 PHE CB C 48 40.000 40.000 42.174 -2.174 19012 1581 1 4 . 1 1 48 48 PHE H H 48 8.238 8.238 8.454 -0.216 19012 1582 1 4 . 1 1 49 49 GLN N N 49 123.564 123.564 121.529 2.035 19012 1583 1 4 . 1 1 49 49 GLN HA H 49 4.935 4.935 4.792 0.143 19012 1584 1 4 . 1 1 49 49 GLN CA C 49 51.294 51.294 55.219 -3.925 19012 1585 1 4 . 1 1 49 49 GLN CB C 49 29.688 29.688 31.918 -2.230 19012 1586 1 4 . 1 1 49 49 GLN H H 49 8.607 8.607 8.264 0.343 19012 1587 1 4 . 1 1 50 50 MET N N 50 120.626 120.626 118.752 1.874 19012 1588 1 4 . 1 1 50 50 MET HA H 50 4.637 4.637 5.276 -0.639 19012 1589 1 4 . 1 1 50 50 MET CA C 50 51.562 51.562 54.734 -3.172 19012 1590 1 4 . 1 1 50 50 MET CB C 50 33.549 33.549 37.859 -4.310 19012 1591 1 4 . 1 1 50 50 MET H H 50 9.071 9.071 8.743 0.328 19012 1592 1 4 . 1 1 51 51 PHE N N 51 112.996 112.996 115.008 -2.012 19012 1593 1 4 . 1 1 51 51 PHE HA H 51 4.928 4.928 4.951 -0.023 19012 1594 1 4 . 1 1 51 51 PHE CA C 51 53.899 53.899 56.654 -2.755 19012 1595 1 4 . 1 1 51 51 PHE CB C 51 38.018 38.018 40.613 -2.595 19012 1596 1 4 . 1 1 52 52 ASP N N 52 118.727 118.727 120.157 -1.430 19012 1597 1 4 . 1 1 52 52 ASP HA H 52 5.640 5.640 4.653 0.987 19012 1598 1 4 . 1 1 52 52 ASP CA C 52 50.264 50.264 54.358 -4.094 19012 1599 1 4 . 1 1 52 52 ASP CB C 52 38.971 38.971 43.129 -4.158 19012 1600 1 4 . 1 1 52 52 ASP H H 52 8.469 8.469 7.904 0.565 19012 1601 1 4 . 1 1 53 53 TYR N N 53 115.709 115.709 116.096 -0.387 19012 1602 1 4 . 1 1 53 53 TYR HA H 53 6.351 6.351 5.649 0.702 19012 1603 1 4 . 1 1 53 53 TYR CA C 53 53.296 53.296 56.359 -3.063 19012 1604 1 4 . 1 1 53 53 TYR CB C 53 40.764 40.764 42.291 -1.527 19012 1605 1 4 . 1 1 53 53 TYR H H 53 8.725 8.725 8.271 0.455 19012 1606 1 4 . 1 1 54 54 LYS N N 54 118.766 118.766 120.864 -2.098 19012 1607 1 4 . 1 1 54 54 LYS HA H 54 4.445 4.445 4.776 -0.331 19012 1608 1 4 . 1 1 54 54 LYS CA C 54 52.187 52.187 55.321 -3.134 19012 1609 1 4 . 1 1 54 54 LYS CB C 54 34.819 34.819 35.716 -0.897 19012 1610 1 4 . 1 1 54 54 LYS H H 54 8.972 8.972 8.818 0.154 19012 1611 1 4 . 1 1 55 55 ILE N N 55 122.406 122.406 124.173 -1.767 19012 1612 1 4 . 1 1 55 55 ILE HA H 55 4.796 4.796 4.838 -0.042 19012 1613 1 4 . 1 1 55 55 ILE CA C 55 56.172 56.172 59.945 -3.773 19012 1614 1 4 . 1 1 55 55 ILE CB C 55 33.404 33.404 36.539 -3.135 19012 1615 1 4 . 1 1 55 55 ILE H H 55 8.832 8.832 8.638 0.194 19012 1616 1 4 . 1 1 56 56 GLU N N 56 128.507 128.507 128.020 0.487 19012 1617 1 4 . 1 1 56 56 GLU HA H 56 4.575 4.575 4.518 0.057 19012 1618 1 4 . 1 1 56 56 GLU CA C 56 52.300 52.300 56.777 -4.477 19012 1619 1 4 . 1 1 56 56 GLU CB C 56 30.432 30.432 31.489 -1.057 19012 1620 1 4 . 1 1 56 56 GLU H H 56 8.787 8.787 8.522 0.265 19012 1621 1 4 . 1 1 57 57 GLU N N 57 125.606 125.606 118.866 6.740 19012 1622 1 4 . 1 1 57 57 GLU HA H 57 3.809 3.809 4.330 -0.521 19012 1623 1 4 . 1 1 57 57 GLU CA C 57 54.254 54.254 56.891 -2.637 19012 1624 1 4 . 1 1 57 57 GLU CB C 57 25.445 25.445 30.345 -4.899 19012 1625 1 4 . 1 1 57 57 GLU H H 57 9.296 9.296 8.671 0.625 19012 1626 1 4 . 1 1 58 58 GLY N N 58 103.913 103.913 108.339 -4.426 19012 1627 1 4 . 1 1 58 58 GLY CA C 58 43.401 43.401 45.819 -2.418 19012 1628 1 4 . 1 1 58 58 GLY H H 58 8.267 8.267 8.150 0.117 19012 1629 1 4 . 1 1 59 59 ARG N N 59 119.125 119.125 117.602 1.523 19012 1630 1 4 . 1 1 59 59 ARG HA H 59 4.787 4.787 4.560 0.227 19012 1631 1 4 . 1 1 59 59 ARG CA C 59 51.812 51.812 54.286 -2.474 19012 1632 1 4 . 1 1 59 59 ARG CB C 59 32.023 32.023 33.791 -1.768 19012 1633 1 4 . 1 1 59 59 ARG H H 59 7.840 7.840 7.593 0.247 19012 1634 1 4 . 1 1 60 60 ILE N N 60 118.464 118.464 120.777 -2.313 19012 1635 1 4 . 1 1 60 60 ILE HA H 60 4.409 4.409 4.137 0.272 19012 1636 1 4 . 1 1 60 60 ILE CA C 60 58.461 58.461 62.155 -3.694 19012 1637 1 4 . 1 1 60 60 ILE CB C 60 36.943 36.943 38.892 -1.949 19012 1638 1 4 . 1 1 60 60 ILE H H 60 8.150 8.150 8.162 -0.012 19012 1639 1 4 . 1 1 61 61 TYR N N 61 130.267 130.267 128.880 1.387 19012 1640 1 4 . 1 1 61 61 TYR HA H 61 4.399 4.399 4.508 -0.109 19012 1641 1 4 . 1 1 61 61 TYR CA C 61 53.435 53.435 56.323 -2.888 19012 1642 1 4 . 1 1 61 61 TYR CB C 61 37.443 37.443 40.037 -2.594 19012 1643 1 4 . 1 1 61 61 TYR H H 61 9.304 9.304 8.638 0.666 19012 1644 1 4 . 1 1 62 62 ILE N N 62 129.152 129.152 127.395 1.757 19012 1645 1 4 . 1 1 62 62 ILE HA H 62 4.035 4.035 4.165 -0.130 19012 1646 1 4 . 1 1 62 62 ILE CA C 62 55.538 55.538 58.514 -2.976 19012 1647 1 4 . 1 1 62 62 ILE CB C 62 33.654 33.654 38.199 -4.545 19012 1648 1 4 . 1 1 62 62 ILE H H 62 8.326 8.326 8.327 -0.001 19012 1649 1 4 . 1 1 63 63 TYR N N 63 119.836 119.836 119.548 0.288 19012 1650 1 4 . 1 1 63 63 TYR HA H 63 4.563 4.563 4.510 0.053 19012 1651 1 4 . 1 1 63 63 TYR CA C 63 52.035 52.035 56.661 -4.626 19012 1652 1 4 . 1 1 63 63 TYR CB C 63 36.267 36.267 40.186 -3.919 19012 1653 1 4 . 1 1 63 63 TYR H H 63 8.397 8.397 8.299 0.098 19012 1654 1 4 . 1 1 64 64 ASP N N 64 117.747 117.747 121.358 -3.611 19012 1655 1 4 . 1 1 64 64 ASP HA H 64 4.270 4.270 4.675 -0.405 19012 1656 1 4 . 1 1 64 64 ASP CA C 64 51.384 51.384 53.757 -2.373 19012 1657 1 4 . 1 1 64 64 ASP CB C 64 35.510 35.510 43.094 -7.584 19012 1658 1 4 . 1 1 64 64 ASP H H 64 8.570 8.570 7.728 0.842 19012 1659 1 4 . 1 1 65 65 VAL N N 65 117.619 117.619 122.205 -4.586 19012 1660 1 4 . 1 1 65 65 VAL HA H 65 4.329 4.329 5.044 -0.715 19012 1661 1 4 . 1 1 65 65 VAL CA C 65 61.015 61.015 60.162 0.853 19012 1662 1 4 . 1 1 65 65 VAL CB C 65 29.350 29.350 34.913 -5.563 19012 1663 1 4 . 1 1 65 65 VAL H H 65 8.116 8.116 8.201 -0.085 19012 1664 1 4 . 1 1 66 66 TYR N N 66 127.317 127.317 125.109 2.208 19012 1665 1 4 . 1 1 66 66 TYR HA H 66 4.567 4.567 5.057 -0.490 19012 1666 1 4 . 1 1 66 66 TYR CA C 66 53.116 53.116 56.247 -3.131 19012 1667 1 4 . 1 1 66 66 TYR CB C 66 39.090 39.090 41.730 -2.640 19012 1668 1 4 . 1 1 66 66 TYR H H 66 8.911 8.911 8.961 -0.050 19012 1669 1 4 . 1 1 67 67 PRO HA H 67 3.778 3.778 4.180 -0.402 19012 1670 1 4 . 1 1 67 67 PRO CA C 67 60.736 60.736 63.445 -2.709 19012 1671 1 4 . 1 1 67 67 PRO CB C 67 32.039 32.039 31.669 0.371 19012 1672 1 4 . 1 1 68 68 ASP N N 68 122.446 122.446 120.346 2.100 19012 1673 1 4 . 1 1 68 68 ASP HA H 68 4.595 4.595 4.788 -0.193 19012 1674 1 4 . 1 1 68 68 ASP CA C 68 51.405 51.405 52.898 -1.494 19012 1675 1 4 . 1 1 68 68 ASP CB C 68 37.732 37.732 41.309 -3.577 19012 1676 1 4 . 1 1 68 68 ASP H H 68 8.017 8.017 7.878 0.139 19012 1677 1 4 . 1 1 69 69 GLU N N 69 121.842 121.842 122.346 -0.504 19012 1678 1 4 . 1 1 69 69 GLU HA H 69 4.167 4.167 4.257 -0.090 19012 1679 1 4 . 1 1 69 69 GLU CA C 69 54.191 54.191 57.564 -3.373 19012 1680 1 4 . 1 1 69 69 GLU CB C 69 27.200 27.200 30.268 -3.068 19012 1681 1 4 . 1 1 69 69 GLU H H 69 8.109 8.109 8.550 -0.441 19012 1682 1 4 . 1 1 70 70 LYS N N 70 121.975 121.975 123.941 -1.966 19012 1683 1 4 . 1 1 70 70 LYS HA H 70 4.532 4.532 4.498 0.034 19012 1684 1 4 . 1 1 70 70 LYS CA C 70 52.097 52.097 54.621 -2.524 19012 1685 1 4 . 1 1 70 70 LYS CB C 70 33.247 33.247 34.120 -0.873 19012 1686 1 4 . 1 1 70 70 LYS H H 70 7.646 7.646 8.262 -0.616 19012 1687 1 4 . 1 1 71 71 THR N N 71 120.177 120.177 117.570 2.607 19012 1688 1 4 . 1 1 71 71 THR HA H 71 4.386 4.386 4.316 0.070 19012 1689 1 4 . 1 1 71 71 THR CA C 71 58.759 58.759 60.637 -1.878 19012 1690 1 4 . 1 1 71 71 THR CB C 71 66.724 66.724 69.107 -2.383 19012 1691 1 4 . 1 1 71 71 THR H H 71 8.258 8.258 8.466 -0.208 19012 1692 1 4 . 1 1 72 72 PRO HA H 72 4.389 4.389 4.025 0.364 19012 1693 1 4 . 1 1 72 72 PRO CA C 72 61.688 61.688 62.869 -1.181 19012 1694 1 4 . 1 1 72 72 PRO CB C 72 31.440 31.440 32.059 -0.618 19012 1695 1 4 . 1 1 73 73 TYR N N 73 118.747 118.747 117.679 1.068 19012 1696 1 4 . 1 1 73 73 TYR HA H 73 4.857 4.857 4.648 0.209 19012 1697 1 4 . 1 1 73 73 TYR CA C 73 52.643 52.643 55.778 -3.135 19012 1698 1 4 . 1 1 73 73 TYR CB C 73 37.470 37.470 39.503 -2.033 19012 1699 1 4 . 1 1 73 73 TYR H H 73 7.988 7.988 7.388 0.600 19012 1700 1 4 . 1 1 74 74 TYR N N 74 114.692 114.692 120.255 -5.563 19012 1701 1 4 . 1 1 74 74 TYR HA H 74 5.548 5.548 5.353 0.195 19012 1702 1 4 . 1 1 74 74 TYR CA C 74 53.855 53.855 58.629 -4.774 19012 1703 1 4 . 1 1 74 74 TYR CB C 74 39.316 39.316 40.134 -0.818 19012 1704 1 4 . 1 1 74 74 TYR H H 74 8.370 8.370 8.527 -0.157 19012 1705 1 4 . 1 1 75 75 LEU N N 75 120.717 120.717 122.907 -2.190 19012 1706 1 4 . 1 1 75 75 LEU HA H 75 4.456 4.456 4.666 -0.210 19012 1707 1 4 . 1 1 75 75 LEU CA C 75 50.648 50.648 53.825 -3.177 19012 1708 1 4 . 1 1 75 75 LEU CB C 75 41.979 41.979 45.264 -3.285 19012 1709 1 4 . 1 1 75 75 LEU H H 75 9.467 9.467 9.118 0.349 19012 1710 1 4 . 1 1 76 76 ASP N N 76 123.675 123.675 126.041 -2.366 19012 1711 1 4 . 1 1 76 76 ASP HA H 76 5.041 5.041 4.711 0.330 19012 1712 1 4 . 1 1 76 76 ASP CA C 76 51.324 51.324 55.417 -4.093 19012 1713 1 4 . 1 1 76 76 ASP CB C 76 39.376 39.376 41.181 -1.805 19012 1714 1 4 . 1 1 76 76 ASP H H 76 7.825 7.825 8.739 -0.914 19012 1715 1 4 . 1 1 77 77 CYS N N 77 118.147 118.147 120.926 -2.779 19012 1716 1 4 . 1 1 77 77 CYS HA H 77 5.514 5.514 4.706 0.808 19012 1717 1 4 . 1 1 77 77 CYS CA C 77 53.205 53.205 56.028 -2.823 19012 1718 1 4 . 1 1 77 77 CYS CB C 77 30.347 30.347 31.539 -1.192 19012 1719 1 4 . 1 1 77 77 CYS H H 77 8.504 8.504 8.387 0.117 19012 1720 1 4 . 1 1 78 78 LYS N N 78 119.791 119.791 119.182 0.609 19012 1721 1 4 . 1 1 78 78 LYS HA H 78 4.398 4.398 4.470 -0.072 19012 1722 1 4 . 1 1 78 78 LYS CA C 78 52.033 52.033 53.279 -1.246 19012 1723 1 4 . 1 1 78 78 LYS CB C 78 33.618 33.618 34.279 -0.661 19012 1724 1 4 . 1 1 78 78 LYS H H 78 8.483 8.483 8.497 -0.014 19012 1725 1 4 . 1 1 79 79 ILE N N 79 122.179 122.179 119.816 2.363 19012 1726 1 4 . 1 1 79 79 ILE HA H 79 5.410 5.410 4.990 0.420 19012 1727 1 4 . 1 1 79 79 ILE CA C 79 56.581 56.581 60.342 -3.761 19012 1728 1 4 . 1 1 79 79 ILE CB C 79 41.302 41.302 42.128 -0.826 19012 1729 1 4 . 1 1 79 79 ILE H H 79 8.923 8.923 8.573 0.350 19012 1730 1 4 . 1 1 80 80 SER N N 80 122.640 122.640 120.923 1.717 19012 1731 1 4 . 1 1 80 80 SER HA H 80 4.760 4.760 4.887 -0.127 19012 1732 1 4 . 1 1 80 80 SER CB C 80 62.504 62.504 65.229 -2.725 19012 1733 1 4 . 1 1 80 80 SER H H 80 9.150 9.150 9.081 0.069 19012 1734 1 4 . 1 1 81 81 GLY N N 81 111.781 111.781 110.702 1.079 19012 1735 1 4 . 1 1 81 81 GLY CA C 81 44.910 44.910 46.279 -1.369 19012 1736 1 4 . 1 1 81 81 GLY H H 81 8.832 8.832 8.177 0.655 19012 1737 1 4 . 1 1 82 82 THR N N 82 110.902 110.902 112.153 -1.251 19012 1738 1 4 . 1 1 82 82 THR HA H 82 4.541 4.541 4.555 -0.014 19012 1739 1 4 . 1 1 82 82 THR CA C 82 58.833 58.833 62.179 -3.346 19012 1740 1 4 . 1 1 82 82 THR H H 82 8.284 8.284 8.053 0.231 19012 1741 1 4 . 1 1 83 83 THR N N 83 119.808 119.808 120.176 -0.368 19012 1742 1 4 . 1 1 83 83 THR HA H 83 5.576 5.576 5.040 0.536 19012 1743 1 4 . 1 1 83 83 THR CA C 83 59.711 59.711 62.480 -2.769 19012 1744 1 4 . 1 1 83 83 THR CB C 83 68.486 68.486 68.829 -0.343 19012 1745 1 4 . 1 1 83 83 THR H H 83 8.178 8.178 7.963 0.215 19012 1746 1 4 . 1 1 84 84 LEU N N 84 128.946 128.946 130.251 -1.305 19012 1747 1 4 . 1 1 84 84 LEU HA H 84 4.787 4.787 4.609 0.178 19012 1748 1 4 . 1 1 84 84 LEU CA C 84 50.979 50.979 54.202 -3.223 19012 1749 1 4 . 1 1 84 84 LEU CB C 84 43.114 43.114 43.248 -0.134 19012 1750 1 4 . 1 1 84 84 LEU H H 84 9.103 9.103 9.202 -0.099 19012 1751 1 4 . 1 1 85 85 LYS N N 85 129.439 129.439 126.063 3.376 19012 1752 1 4 . 1 1 85 85 LYS HA H 85 5.220 5.220 5.174 0.046 19012 1753 1 4 . 1 1 85 85 LYS CA C 85 52.028 52.028 54.477 -2.449 19012 1754 1 4 . 1 1 85 85 LYS CB C 85 32.656 32.656 36.322 -3.666 19012 1755 1 4 . 1 1 85 85 LYS H H 85 9.336 9.336 8.798 0.538 19012 1756 1 4 . 1 1 86 86 VAL N N 86 127.719 127.719 125.350 2.369 19012 1757 1 4 . 1 1 86 86 VAL HA H 86 4.279 4.279 4.271 0.008 19012 1758 1 4 . 1 1 86 86 VAL CA C 86 59.179 59.179 61.271 -2.092 19012 1759 1 4 . 1 1 86 86 VAL CB C 86 29.826 29.826 34.109 -4.284 19012 1760 1 4 . 1 1 86 86 VAL H H 86 9.122 9.122 8.950 0.172 19012 1761 1 4 . 1 1 87 87 GLU N N 87 126.504 126.504 126.917 -0.413 19012 1762 1 4 . 1 1 87 87 GLU HA H 87 4.215 4.215 4.389 -0.174 19012 1763 1 4 . 1 1 87 87 GLU CA C 87 55.427 55.427 57.493 -2.066 19012 1764 1 4 . 1 1 87 87 GLU CB C 87 29.038 29.038 31.159 -2.121 19012 1765 1 4 . 1 1 87 87 GLU H H 87 8.960 8.960 9.081 -0.121 19012 1766 1 4 . 1 1 88 88 THR N N 88 109.146 109.146 111.181 -2.035 19012 1767 1 4 . 1 1 88 88 THR HA H 88 4.560 4.560 4.444 0.116 19012 1768 1 4 . 1 1 88 88 THR CA C 88 57.802 57.802 60.980 -3.178 19012 1769 1 4 . 1 1 88 88 THR CB C 88 69.805 69.805 70.249 -0.444 19012 1770 1 4 . 1 1 88 88 THR H H 88 7.079 7.079 7.508 -0.429 19012 1771 1 4 . 1 1 89 89 GLY N N 89 102.665 102.665 109.259 -6.594 19012 1772 1 4 . 1 1 89 89 GLY CA C 89 42.083 42.083 44.512 -2.429 19012 1773 1 4 . 1 1 89 89 GLY H H 89 7.984 7.984 8.000 -0.016 19012 1774 1 4 . 1 1 90 90 SER N N 90 118.973 118.973 115.721 3.252 19012 1775 1 4 . 1 1 90 90 SER HA H 90 4.103 4.103 4.185 -0.082 19012 1776 1 4 . 1 1 90 90 SER CA C 90 58.840 58.840 60.258 -1.418 19012 1777 1 4 . 1 1 90 90 SER CB C 90 60.079 60.079 63.167 -3.088 19012 1778 1 4 . 1 1 90 90 SER H H 90 8.854 8.854 8.501 0.353 19012 1779 1 4 . 1 1 91 91 GLU N N 91 120.699 120.699 118.751 1.948 19012 1780 1 4 . 1 1 91 91 GLU HA H 91 3.676 3.676 4.440 -0.764 19012 1781 1 4 . 1 1 91 91 GLU CA C 91 54.571 54.571 55.728 -1.157 19012 1782 1 4 . 1 1 91 91 GLU CB C 91 26.627 26.627 29.225 -2.598 19012 1783 1 4 . 1 1 91 91 GLU H H 91 10.220 10.220 8.250 1.970 19012 1784 1 4 . 1 1 92 92 ALA N N 92 121.411 121.411 123.473 -2.062 19012 1785 1 4 . 1 1 92 92 ALA HA H 92 3.691 3.691 4.038 -0.347 19012 1786 1 4 . 1 1 92 92 ALA CA C 92 50.916 50.916 53.715 -2.799 19012 1787 1 4 . 1 1 92 92 ALA CB C 92 16.118 16.118 17.533 -1.415 19012 1788 1 4 . 1 1 92 92 ALA H H 92 7.014 7.014 7.437 -0.423 19012 1789 1 4 . 1 1 93 93 GLY N N 93 109.056 109.056 111.378 -2.322 19012 1790 1 4 . 1 1 93 93 GLY CA C 93 42.601 42.601 45.651 -3.050 19012 1791 1 4 . 1 1 93 93 GLY H H 93 8.706 8.706 7.756 0.950 19012 1792 1 4 . 1 1 94 94 THR N N 94 117.255 117.255 113.160 4.095 19012 1793 1 4 . 1 1 94 94 THR HA H 94 4.831 4.831 5.135 -0.304 19012 1794 1 4 . 1 1 94 94 THR CA C 94 60.491 60.491 60.891 -0.400 19012 1795 1 4 . 1 1 94 94 THR CB C 94 66.403 66.403 70.061 -3.658 19012 1796 1 4 . 1 1 94 94 THR H H 94 8.637 8.637 8.038 0.599 19012 1797 1 4 . 1 1 95 95 TYR N N 95 127.051 127.051 124.536 2.515 19012 1798 1 4 . 1 1 95 95 TYR HA H 95 4.564 4.564 5.370 -0.806 19012 1799 1 4 . 1 1 95 95 TYR CA C 95 53.889 53.889 56.444 -2.555 19012 1800 1 4 . 1 1 95 95 TYR CB C 95 39.733 39.733 41.903 -2.170 19012 1801 1 4 . 1 1 95 95 TYR H H 95 10.060 10.060 9.154 0.906 19012 1802 1 4 . 1 1 96 96 LYS N N 96 119.487 119.487 120.267 -0.780 19012 1803 1 4 . 1 1 96 96 LYS HA H 96 5.668 5.668 5.056 0.612 19012 1804 1 4 . 1 1 96 96 LYS CA C 96 50.781 50.781 54.019 -3.238 19012 1805 1 4 . 1 1 96 96 LYS CB C 96 31.840 31.840 33.526 -1.686 19012 1806 1 4 . 1 1 96 96 LYS H H 96 8.960 8.960 8.440 0.520 19012 1807 1 4 . 1 1 97 97 LYS N N 97 128.866 128.866 118.006 10.860 19012 1808 1 4 . 1 1 97 97 LYS HA H 97 3.701 3.701 3.651 0.050 19012 1809 1 4 . 1 1 97 97 LYS CA C 97 55.022 55.022 57.266 -2.244 19012 1810 1 4 . 1 1 97 97 LYS CB C 97 30.744 30.744 31.768 -1.024 19012 1811 1 4 . 1 1 97 97 LYS H H 97 8.729 8.729 8.476 0.253 19012 1812 1 4 . 1 1 98 98 GLN N N 98 127.056 127.056 121.239 5.817 19012 1813 1 4 . 1 1 98 98 GLN HA H 98 4.244 4.244 4.469 -0.225 19012 1814 1 4 . 1 1 98 98 GLN CA C 98 52.689 52.689 54.391 -1.702 19012 1815 1 4 . 1 1 98 98 GLN CB C 98 28.065 28.065 29.935 -1.870 19012 1816 1 4 . 1 1 98 98 GLN H H 98 8.992 8.992 8.264 0.728 19012 1817 1 5 . 1 1 2 2 GLU N N 2 119.968 119.968 124.250 -4.282 19012 1818 1 5 . 1 1 2 2 GLU HA H 2 4.009 4.009 4.486 -0.477 19012 1819 1 5 . 1 1 2 2 GLU CA C 2 53.190 53.190 56.772 -3.582 19012 1820 1 5 . 1 1 2 2 GLU CB C 2 27.574 27.574 28.674 -1.100 19012 1821 1 5 . 1 1 2 2 GLU H H 2 8.212 8.212 8.352 -0.140 19012 1822 1 5 . 1 1 3 3 ASP N N 3 122.057 122.057 122.726 -0.669 19012 1823 1 5 . 1 1 3 3 ASP HA H 3 4.509 4.509 5.016 -0.507 19012 1824 1 5 . 1 1 3 3 ASP CA C 3 50.691 50.691 54.103 -3.412 19012 1825 1 5 . 1 1 3 3 ASP CB C 3 38.121 38.121 41.745 -3.624 19012 1826 1 5 . 1 1 3 3 ASP H H 3 8.209 8.209 8.102 0.107 19012 1827 1 5 . 1 1 4 4 TRP N N 4 121.397 121.397 124.076 -2.679 19012 1828 1 5 . 1 1 4 4 TRP HA H 4 4.749 4.749 5.032 -0.283 19012 1829 1 5 . 1 1 4 4 TRP CA C 4 53.792 53.792 56.413 -2.620 19012 1830 1 5 . 1 1 4 4 TRP CB C 4 27.994 27.994 31.817 -3.823 19012 1831 1 5 . 1 1 4 4 TRP H H 4 7.614 7.614 8.344 -0.730 19012 1832 1 5 . 1 1 5 5 THR N N 5 117.669 117.669 116.013 1.656 19012 1833 1 5 . 1 1 5 5 THR HA H 5 4.733 4.733 4.481 0.252 19012 1834 1 5 . 1 1 5 5 THR CA C 5 57.170 57.170 61.532 -4.362 19012 1835 1 5 . 1 1 5 5 THR CB C 5 68.444 68.444 69.705 -1.261 19012 1836 1 5 . 1 1 5 5 THR H H 5 9.387 9.387 8.637 0.750 19012 1837 1 5 . 1 1 6 6 GLU N N 6 121.359 121.359 119.912 1.447 19012 1838 1 5 . 1 1 6 6 GLU HA H 6 4.283 4.283 4.178 0.105 19012 1839 1 5 . 1 1 6 6 GLU CA C 6 53.743 53.743 57.357 -3.614 19012 1840 1 5 . 1 1 6 6 GLU CB C 6 28.184 28.184 30.242 -2.058 19012 1841 1 5 . 1 1 6 6 GLU H H 6 8.027 8.027 8.583 -0.556 19012 1842 1 5 . 1 1 7 7 LEU N N 7 126.701 126.701 125.743 0.958 19012 1843 1 5 . 1 1 7 7 LEU HA H 7 4.217 4.217 4.346 -0.129 19012 1844 1 5 . 1 1 7 7 LEU CA C 7 52.720 52.720 55.197 -2.477 19012 1845 1 5 . 1 1 7 7 LEU CB C 7 40.595 40.595 42.482 -1.887 19012 1846 1 5 . 1 1 7 7 LEU H H 7 8.626 8.626 8.474 0.152 19012 1847 1 5 . 1 1 8 8 ASN N N 8 121.528 121.528 124.176 -2.648 19012 1848 1 5 . 1 1 8 8 ASN HA H 8 4.611 4.611 5.150 -0.539 19012 1849 1 5 . 1 1 8 8 ASN CA C 8 49.652 49.652 52.181 -2.529 19012 1850 1 5 . 1 1 8 8 ASN CB C 8 38.102 38.102 42.204 -4.102 19012 1851 1 5 . 1 1 8 8 ASN H H 8 9.218 9.218 9.172 0.046 19012 1852 1 5 . 1 1 9 9 SER N N 9 109.319 109.319 115.354 -6.035 19012 1853 1 5 . 1 1 9 9 SER HA H 9 4.045 4.045 4.303 -0.258 19012 1854 1 5 . 1 1 9 9 SER CA C 9 58.381 58.381 61.079 -2.698 19012 1855 1 5 . 1 1 9 9 SER CB C 9 60.521 60.521 63.299 -2.778 19012 1856 1 5 . 1 1 9 9 SER H H 9 8.268 8.268 8.932 -0.664 19012 1857 1 5 . 1 1 10 10 ASN N N 10 117.403 117.403 115.634 1.769 19012 1858 1 5 . 1 1 10 10 ASN HA H 10 4.872 4.872 4.772 0.100 19012 1859 1 5 . 1 1 10 10 ASN CA C 10 52.508 52.508 54.547 -2.039 19012 1860 1 5 . 1 1 10 10 ASN CB C 10 37.905 37.905 39.231 -1.326 19012 1861 1 5 . 1 1 10 10 ASN H H 10 8.610 8.610 8.331 0.279 19012 1862 1 5 . 1 1 11 11 ASN N N 11 119.053 119.053 116.955 2.098 19012 1863 1 5 . 1 1 11 11 ASN HA H 11 4.396 4.396 4.731 -0.335 19012 1864 1 5 . 1 1 11 11 ASN CA C 11 51.832 51.832 54.456 -2.624 19012 1865 1 5 . 1 1 11 11 ASN CB C 11 34.355 34.355 38.111 -3.756 19012 1866 1 5 . 1 1 11 11 ASN H H 11 8.614 8.614 7.837 0.777 19012 1867 1 5 . 1 1 12 12 ILE N N 12 117.943 117.943 121.777 -3.834 19012 1868 1 5 . 1 1 12 12 ILE HA H 12 4.185 4.185 4.206 -0.021 19012 1869 1 5 . 1 1 12 12 ILE CA C 12 55.309 55.309 61.918 -6.609 19012 1870 1 5 . 1 1 12 12 ILE CB C 12 36.651 36.651 38.133 -1.482 19012 1871 1 5 . 1 1 12 12 ILE H H 12 7.041 7.041 7.364 -0.323 19012 1872 1 5 . 1 1 13 13 ILE N N 13 118.354 118.354 119.473 -1.119 19012 1873 1 5 . 1 1 13 13 ILE HA H 13 3.800 3.800 4.399 -0.599 19012 1874 1 5 . 1 1 13 13 ILE CA C 13 58.469 58.469 61.376 -2.907 19012 1875 1 5 . 1 1 13 13 ILE CB C 13 34.584 34.584 35.218 -0.634 19012 1876 1 5 . 1 1 13 13 ILE H H 13 6.635 6.635 7.803 -1.168 19012 1877 1 5 . 1 1 14 14 GLY N N 14 114.150 114.150 114.933 -0.783 19012 1878 1 5 . 1 1 14 14 GLY CA C 14 41.496 41.496 44.783 -3.287 19012 1879 1 5 . 1 1 14 14 GLY H H 14 8.842 8.842 8.606 0.236 19012 1880 1 5 . 1 1 15 15 TYR N N 15 119.014 119.014 119.167 -0.153 19012 1881 1 5 . 1 1 15 15 TYR HA H 15 4.961 4.961 5.046 -0.085 19012 1882 1 5 . 1 1 15 15 TYR CA C 15 54.499 54.499 57.852 -3.353 19012 1883 1 5 . 1 1 15 15 TYR CB C 15 38.075 38.075 40.343 -2.268 19012 1884 1 5 . 1 1 15 15 TYR H H 15 8.264 8.264 8.538 -0.274 19012 1885 1 5 . 1 1 16 16 TRP N N 16 124.101 124.101 119.553 4.548 19012 1886 1 5 . 1 1 16 16 TRP HA H 16 5.175 5.175 5.478 -0.303 19012 1887 1 5 . 1 1 16 16 TRP CA C 16 52.970 52.970 56.780 -3.810 19012 1888 1 5 . 1 1 16 16 TRP CB C 16 28.341 28.341 33.830 -5.489 19012 1889 1 5 . 1 1 16 16 TRP H H 16 9.497 9.497 9.012 0.485 19012 1890 1 5 . 1 1 17 17 SER N N 17 115.863 115.863 115.729 0.134 19012 1891 1 5 . 1 1 17 17 SER HA H 17 6.272 6.272 5.660 0.612 19012 1892 1 5 . 1 1 17 17 SER CA C 17 53.039 53.039 56.221 -3.182 19012 1893 1 5 . 1 1 17 17 SER CB C 17 63.415 63.415 65.547 -2.132 19012 1894 1 5 . 1 1 17 17 SER H H 17 9.182 9.182 9.353 -0.171 19012 1895 1 5 . 1 1 18 18 THR N N 18 119.520 119.520 117.097 2.423 19012 1896 1 5 . 1 1 18 18 THR CB C 18 67.199 67.199 69.271 -2.072 19012 1897 1 5 . 1 1 18 18 THR H H 18 8.996 8.996 8.644 0.352 19012 1898 1 5 . 1 1 19 19 GLY N N 19 110.006 110.006 109.505 0.501 19012 1899 1 5 . 1 1 19 19 GLY CA C 19 42.615 42.615 45.276 -2.661 19012 1900 1 5 . 1 1 19 19 GLY H H 19 8.206 8.206 7.571 0.635 19012 1901 1 5 . 1 1 20 20 ILE N N 20 111.313 111.313 113.234 -1.921 19012 1902 1 5 . 1 1 20 20 ILE HA H 20 3.519 3.519 4.197 -0.678 19012 1903 1 5 . 1 1 20 20 ILE CA C 20 57.765 57.765 60.339 -2.574 19012 1904 1 5 . 1 1 20 20 ILE CB C 20 37.839 37.839 38.501 -0.662 19012 1905 1 5 . 1 1 20 20 ILE H H 20 7.953 7.953 8.260 -0.307 19012 1906 1 5 . 1 1 21 21 GLU N N 21 119.547 119.547 119.536 0.011 19012 1907 1 5 . 1 1 21 21 GLU HA H 21 4.463 4.463 4.830 -0.367 19012 1908 1 5 . 1 1 21 21 GLU CA C 21 52.227 52.227 54.657 -2.430 19012 1909 1 5 . 1 1 21 21 GLU CB C 21 29.468 29.468 31.237 -1.769 19012 1910 1 5 . 1 1 21 21 GLU H H 21 7.514 7.514 7.519 -0.005 19012 1911 1 5 . 1 1 22 22 GLY N N 22 109.534 109.534 108.787 0.747 19012 1912 1 5 . 1 1 22 22 GLY CA C 22 43.582 43.582 47.195 -3.613 19012 1913 1 5 . 1 1 22 22 GLY H H 22 8.457 8.457 8.753 -0.296 19012 1914 1 5 . 1 1 23 23 THR N N 23 124.632 124.632 118.658 5.974 19012 1915 1 5 . 1 1 23 23 THR HA H 23 5.271 5.271 5.216 0.055 19012 1916 1 5 . 1 1 23 23 THR CA C 23 60.060 60.060 61.786 -1.726 19012 1917 1 5 . 1 1 23 23 THR CB C 23 65.680 65.680 71.772 -6.093 19012 1918 1 5 . 1 1 23 23 THR H H 23 8.881 8.881 8.043 0.838 19012 1919 1 5 . 1 1 24 24 HIS N N 24 122.881 122.881 122.276 0.605 19012 1920 1 5 . 1 1 24 24 HIS HA H 24 4.780 4.780 5.169 -0.389 19012 1921 1 5 . 1 1 24 24 HIS CA C 24 50.970 50.970 54.513 -3.543 19012 1922 1 5 . 1 1 24 24 HIS CB C 24 27.898 27.898 32.212 -4.314 19012 1923 1 5 . 1 1 24 24 HIS H H 24 8.919 8.919 9.270 -0.351 19012 1924 1 5 . 1 1 25 25 LYS N N 25 119.738 119.738 118.471 1.267 19012 1925 1 5 . 1 1 25 25 LYS HA H 25 5.437 5.437 5.274 0.163 19012 1926 1 5 . 1 1 25 25 LYS CA C 25 52.650 52.650 55.664 -3.014 19012 1927 1 5 . 1 1 25 25 LYS CB C 25 33.277 33.277 36.431 -3.154 19012 1928 1 5 . 1 1 25 25 LYS H H 25 8.816 8.816 8.848 -0.032 19012 1929 1 5 . 1 1 26 26 LEU N N 26 126.017 126.017 121.256 4.761 19012 1930 1 5 . 1 1 26 26 LEU HA H 26 5.825 5.825 5.420 0.405 19012 1931 1 5 . 1 1 26 26 LEU CA C 26 51.614 51.614 53.871 -2.257 19012 1932 1 5 . 1 1 26 26 LEU CB C 26 44.544 44.544 46.017 -1.472 19012 1933 1 5 . 1 1 26 26 LEU H H 26 9.420 9.420 8.940 0.480 19012 1934 1 5 . 1 1 27 27 LEU N N 27 128.825 128.825 124.815 4.010 19012 1935 1 5 . 1 1 27 27 LEU HA H 27 5.417 5.417 5.352 0.065 19012 1936 1 5 . 1 1 27 27 LEU CA C 27 50.740 50.740 53.214 -2.474 19012 1937 1 5 . 1 1 27 27 LEU CB C 27 44.569 44.569 46.369 -1.800 19012 1938 1 5 . 1 1 27 27 LEU H H 27 9.475 9.475 9.034 0.441 19012 1939 1 5 . 1 1 28 28 SER N N 28 117.701 117.701 113.914 3.787 19012 1940 1 5 . 1 1 28 28 SER HA H 28 5.337 5.337 4.979 0.358 19012 1941 1 5 . 1 1 28 28 SER CA C 28 53.530 53.530 56.001 -2.471 19012 1942 1 5 . 1 1 28 28 SER CB C 28 63.368 63.368 65.276 -1.908 19012 1943 1 5 . 1 1 28 28 SER H H 28 8.859 8.859 7.888 0.971 19012 1944 1 5 . 1 1 29 29 PHE N N 29 117.319 117.319 120.826 -3.507 19012 1945 1 5 . 1 1 29 29 PHE HA H 29 4.679 4.679 4.799 -0.120 19012 1946 1 5 . 1 1 29 29 PHE CA C 29 54.565 54.565 57.356 -2.791 19012 1947 1 5 . 1 1 29 29 PHE CB C 29 39.104 39.104 43.263 -4.159 19012 1948 1 5 . 1 1 29 29 PHE H H 29 8.401 8.401 8.276 0.125 19012 1949 1 5 . 1 1 30 30 ASP N N 30 123.741 123.741 123.345 0.396 19012 1950 1 5 . 1 1 30 30 ASP HA H 30 5.217 5.217 5.147 0.070 19012 1951 1 5 . 1 1 30 30 ASP CA C 30 50.408 50.408 53.342 -2.934 19012 1952 1 5 . 1 1 30 30 ASP CB C 30 41.148 41.148 43.989 -2.841 19012 1953 1 5 . 1 1 30 30 ASP H H 30 9.573 9.573 8.911 0.662 19012 1954 1 5 . 1 1 31 31 GLU N N 31 127.123 127.123 122.515 4.608 19012 1955 1 5 . 1 1 31 31 GLU HA H 31 4.127 4.127 4.161 -0.034 19012 1956 1 5 . 1 1 31 31 GLU CA C 31 56.324 56.324 59.246 -2.922 19012 1957 1 5 . 1 1 31 31 GLU CB C 31 27.283 27.283 30.335 -3.053 19012 1958 1 5 . 1 1 31 31 GLU H H 31 9.718 9.718 8.915 0.803 19012 1959 1 5 . 1 1 32 32 ASP N N 32 119.011 119.011 116.173 2.838 19012 1960 1 5 . 1 1 32 32 ASP HA H 32 4.443 4.443 4.771 -0.328 19012 1961 1 5 . 1 1 32 32 ASP CA C 32 50.919 50.919 53.698 -2.779 19012 1962 1 5 . 1 1 32 32 ASP CB C 32 37.344 37.344 40.990 -3.646 19012 1963 1 5 . 1 1 32 32 ASP H H 32 8.911 8.911 8.276 0.635 19012 1964 1 5 . 1 1 33 33 GLY N N 33 106.215 106.215 108.969 -2.754 19012 1965 1 5 . 1 1 33 33 GLY CA C 33 43.879 43.879 44.787 -0.908 19012 1966 1 5 . 1 1 33 33 GLY H H 33 7.781 7.781 7.638 0.143 19012 1967 1 5 . 1 1 34 34 THR N N 34 111.570 111.570 112.625 -1.055 19012 1968 1 5 . 1 1 34 34 THR HA H 34 5.474 5.474 4.546 0.928 19012 1969 1 5 . 1 1 34 34 THR CA C 34 57.389 57.389 60.563 -3.174 19012 1970 1 5 . 1 1 34 34 THR CB C 34 69.991 69.991 71.337 -1.346 19012 1971 1 5 . 1 1 34 34 THR H H 34 7.863 7.863 7.721 0.141 19012 1972 1 5 . 1 1 35 35 GLY N N 35 106.781 106.781 106.540 0.241 19012 1973 1 5 . 1 1 35 35 GLY CA C 35 43.233 43.233 43.129 0.104 19012 1974 1 5 . 1 1 35 35 GLY H H 35 8.235 8.235 8.467 -0.232 19012 1975 1 5 . 1 1 36 36 SER N N 36 113.807 113.807 113.276 0.531 19012 1976 1 5 . 1 1 36 36 SER HA H 36 4.659 4.659 5.118 -0.459 19012 1977 1 5 . 1 1 36 36 SER CA C 36 54.509 54.509 56.825 -2.316 19012 1978 1 5 . 1 1 36 36 SER CB C 36 64.821 64.821 67.010 -2.189 19012 1979 1 5 . 1 1 36 36 SER H H 36 8.182 8.182 8.030 0.152 19012 1980 1 5 . 1 1 37 37 PHE N N 37 120.041 120.041 123.471 -3.430 19012 1981 1 5 . 1 1 37 37 PHE HA H 37 5.885 5.885 5.266 0.619 19012 1982 1 5 . 1 1 37 37 PHE CA C 37 52.308 52.308 56.181 -3.873 19012 1983 1 5 . 1 1 37 37 PHE CB C 37 41.174 41.174 42.962 -1.788 19012 1984 1 5 . 1 1 37 37 PHE H H 37 8.829 8.829 8.492 0.337 19012 1985 1 5 . 1 1 38 38 GLY N N 38 115.263 115.263 113.376 1.887 19012 1986 1 5 . 1 1 38 38 GLY CA C 38 42.092 42.092 43.106 -1.014 19012 1987 1 5 . 1 1 38 38 GLY H H 38 8.936 8.936 9.235 -0.299 19012 1988 1 5 . 1 1 39 39 ILE N N 39 119.791 119.791 119.405 0.386 19012 1989 1 5 . 1 1 39 39 ILE HA H 39 4.292 4.292 4.738 -0.446 19012 1990 1 5 . 1 1 39 39 ILE CA C 39 58.280 58.280 60.170 -1.890 19012 1991 1 5 . 1 1 39 39 ILE CB C 39 36.838 36.838 41.856 -5.018 19012 1992 1 5 . 1 1 39 39 ILE H H 39 7.724 7.724 7.671 0.053 19012 1993 1 5 . 1 1 40 40 TYR N N 40 125.748 125.748 124.058 1.690 19012 1994 1 5 . 1 1 40 40 TYR HA H 40 4.742 4.742 5.134 -0.392 19012 1995 1 5 . 1 1 40 40 TYR CA C 40 53.881 53.881 56.367 -2.486 19012 1996 1 5 . 1 1 40 40 TYR CB C 40 39.894 39.894 41.597 -1.703 19012 1997 1 5 . 1 1 40 40 TYR H H 40 8.782 8.782 9.203 -0.421 19012 1998 1 5 . 1 1 41 41 SER N N 41 114.721 114.721 121.017 -6.296 19012 1999 1 5 . 1 1 41 41 SER HA H 41 4.689 4.689 4.586 0.103 19012 2000 1 5 . 1 1 41 41 SER CA C 41 53.337 53.337 59.128 -5.791 19012 2001 1 5 . 1 1 41 41 SER CB C 41 60.205 60.205 63.803 -3.598 19012 2002 1 5 . 1 1 41 41 SER H H 41 8.708 8.708 8.467 0.240 19012 2003 1 5 . 1 1 42 42 ASN N N 42 124.063 124.063 125.016 -0.953 19012 2004 1 5 . 1 1 42 42 ASN HA H 42 4.298 4.298 4.355 -0.057 19012 2005 1 5 . 1 1 42 42 ASN CA C 42 54.083 54.083 57.217 -3.134 19012 2006 1 5 . 1 1 42 42 ASN CB C 42 34.720 34.720 38.425 -3.704 19012 2007 1 5 . 1 1 42 42 ASN H H 42 9.239 9.239 9.194 0.045 19012 2008 1 5 . 1 1 43 43 ALA N N 43 125.505 125.505 121.953 3.552 19012 2009 1 5 . 1 1 43 43 ALA HA H 43 4.576 4.576 4.755 -0.179 19012 2010 1 5 . 1 1 43 43 ALA CA C 43 50.170 50.170 52.209 -2.038 19012 2011 1 5 . 1 1 43 43 ALA CB C 43 16.678 16.678 19.540 -2.862 19012 2012 1 5 . 1 1 43 43 ALA H H 43 8.468 8.468 7.948 0.520 19012 2013 1 5 . 1 1 44 44 THR N N 44 119.056 119.056 116.896 2.160 19012 2014 1 5 . 1 1 44 44 THR HA H 44 4.550 4.550 4.722 -0.172 19012 2015 1 5 . 1 1 44 44 THR CA C 44 58.028 58.028 59.544 -1.516 19012 2016 1 5 . 1 1 44 44 THR CB C 44 68.176 68.176 70.965 -2.788 19012 2017 1 5 . 1 1 44 44 THR H H 44 8.420 8.420 8.362 0.058 19012 2018 1 5 . 1 1 45 45 PRO HA H 45 3.797 3.797 3.524 0.273 19012 2019 1 5 . 1 1 45 45 PRO CA C 45 60.280 60.280 63.029 -2.749 19012 2020 1 5 . 1 1 45 45 PRO CB C 45 28.488 28.488 32.082 -3.594 19012 2021 1 5 . 1 1 46 46 ILE N N 46 124.607 124.607 121.398 3.209 19012 2022 1 5 . 1 1 46 46 ILE HA H 46 4.023 4.023 4.234 -0.211 19012 2023 1 5 . 1 1 46 46 ILE CA C 46 58.609 58.609 61.217 -2.608 19012 2024 1 5 . 1 1 46 46 ILE CB C 46 35.652 35.652 39.404 -3.752 19012 2025 1 5 . 1 1 46 46 ILE H H 46 8.998 8.998 8.640 0.358 19012 2026 1 5 . 1 1 47 47 SER N N 47 112.826 112.826 115.360 -2.534 19012 2027 1 5 . 1 1 47 47 SER HA H 47 4.474 4.474 4.684 -0.210 19012 2028 1 5 . 1 1 47 47 SER CA C 47 54.926 54.926 57.933 -3.007 19012 2029 1 5 . 1 1 47 47 SER CB C 47 62.419 62.419 66.276 -3.857 19012 2030 1 5 . 1 1 47 47 SER H H 47 7.439 7.439 7.499 -0.060 19012 2031 1 5 . 1 1 48 48 PHE N N 48 123.266 123.266 121.064 2.202 19012 2032 1 5 . 1 1 48 48 PHE HA H 48 5.194 5.194 4.735 0.459 19012 2033 1 5 . 1 1 48 48 PHE CA C 48 55.624 55.624 57.860 -2.236 19012 2034 1 5 . 1 1 48 48 PHE CB C 48 40.000 40.000 42.534 -2.534 19012 2035 1 5 . 1 1 48 48 PHE H H 48 8.238 8.238 8.521 -0.283 19012 2036 1 5 . 1 1 49 49 GLN N N 49 123.564 123.564 119.948 3.616 19012 2037 1 5 . 1 1 49 49 GLN HA H 49 4.935 4.935 4.693 0.242 19012 2038 1 5 . 1 1 49 49 GLN CA C 49 51.294 51.294 54.876 -3.582 19012 2039 1 5 . 1 1 49 49 GLN CB C 49 29.688 29.688 32.110 -2.422 19012 2040 1 5 . 1 1 49 49 GLN H H 49 8.607 8.607 7.952 0.655 19012 2041 1 5 . 1 1 50 50 MET N N 50 120.626 120.626 118.822 1.804 19012 2042 1 5 . 1 1 50 50 MET HA H 50 4.637 4.637 5.429 -0.792 19012 2043 1 5 . 1 1 50 50 MET CA C 50 51.562 51.562 54.830 -3.268 19012 2044 1 5 . 1 1 50 50 MET CB C 50 33.549 33.549 37.972 -4.423 19012 2045 1 5 . 1 1 50 50 MET H H 50 9.071 9.071 8.505 0.566 19012 2046 1 5 . 1 1 51 51 PHE N N 51 112.996 112.996 116.569 -3.573 19012 2047 1 5 . 1 1 51 51 PHE HA H 51 4.928 4.928 5.202 -0.274 19012 2048 1 5 . 1 1 51 51 PHE CA C 51 53.899 53.899 56.195 -2.296 19012 2049 1 5 . 1 1 51 51 PHE CB C 51 38.018 38.018 40.977 -2.959 19012 2050 1 5 . 1 1 52 52 ASP N N 52 118.727 118.727 121.393 -2.666 19012 2051 1 5 . 1 1 52 52 ASP HA H 52 5.640 5.640 4.861 0.779 19012 2052 1 5 . 1 1 52 52 ASP CA C 52 50.264 50.264 55.128 -4.864 19012 2053 1 5 . 1 1 52 52 ASP CB C 52 38.971 38.971 42.894 -3.923 19012 2054 1 5 . 1 1 52 52 ASP H H 52 8.469 8.469 8.281 0.188 19012 2055 1 5 . 1 1 53 53 TYR N N 53 115.709 115.709 116.281 -0.572 19012 2056 1 5 . 1 1 53 53 TYR HA H 53 6.351 6.351 5.678 0.673 19012 2057 1 5 . 1 1 53 53 TYR CA C 53 53.296 53.296 56.187 -2.891 19012 2058 1 5 . 1 1 53 53 TYR CB C 53 40.764 40.764 42.036 -1.272 19012 2059 1 5 . 1 1 53 53 TYR H H 53 8.725 8.725 8.263 0.462 19012 2060 1 5 . 1 1 54 54 LYS N N 54 118.766 118.766 118.732 0.034 19012 2061 1 5 . 1 1 54 54 LYS HA H 54 4.445 4.445 4.615 -0.170 19012 2062 1 5 . 1 1 54 54 LYS CA C 54 52.187 52.187 53.663 -1.476 19012 2063 1 5 . 1 1 54 54 LYS CB C 54 34.819 34.819 37.400 -2.581 19012 2064 1 5 . 1 1 54 54 LYS H H 54 8.972 8.972 8.858 0.114 19012 2065 1 5 . 1 1 55 55 ILE N N 55 122.406 122.406 122.644 -0.238 19012 2066 1 5 . 1 1 55 55 ILE HA H 55 4.796 4.796 5.112 -0.316 19012 2067 1 5 . 1 1 55 55 ILE CA C 55 56.172 56.172 59.460 -3.288 19012 2068 1 5 . 1 1 55 55 ILE CB C 55 33.404 33.404 36.225 -2.821 19012 2069 1 5 . 1 1 55 55 ILE H H 55 8.832 8.832 9.032 -0.200 19012 2070 1 5 . 1 1 56 56 GLU N N 56 128.507 128.507 125.424 3.083 19012 2071 1 5 . 1 1 56 56 GLU HA H 56 4.575 4.575 4.449 0.126 19012 2072 1 5 . 1 1 56 56 GLU CA C 56 52.300 52.300 56.130 -3.830 19012 2073 1 5 . 1 1 56 56 GLU CB C 56 30.432 30.432 30.798 -0.366 19012 2074 1 5 . 1 1 56 56 GLU H H 56 8.787 8.787 8.848 -0.061 19012 2075 1 5 . 1 1 57 57 GLU N N 57 125.606 125.606 118.430 7.176 19012 2076 1 5 . 1 1 57 57 GLU HA H 57 3.809 3.809 4.376 -0.567 19012 2077 1 5 . 1 1 57 57 GLU CA C 57 54.254 54.254 56.524 -2.270 19012 2078 1 5 . 1 1 57 57 GLU CB C 57 25.445 25.445 30.259 -4.814 19012 2079 1 5 . 1 1 57 57 GLU H H 57 9.296 9.296 8.289 1.007 19012 2080 1 5 . 1 1 58 58 GLY N N 58 103.913 103.913 108.196 -4.283 19012 2081 1 5 . 1 1 58 58 GLY CA C 58 43.401 43.401 46.185 -2.784 19012 2082 1 5 . 1 1 58 58 GLY H H 58 8.267 8.267 8.633 -0.366 19012 2083 1 5 . 1 1 59 59 ARG N N 59 119.125 119.125 116.520 2.605 19012 2084 1 5 . 1 1 59 59 ARG HA H 59 4.787 4.787 4.775 0.012 19012 2085 1 5 . 1 1 59 59 ARG CA C 59 51.812 51.812 54.082 -2.270 19012 2086 1 5 . 1 1 59 59 ARG CB C 59 32.023 32.023 34.349 -2.326 19012 2087 1 5 . 1 1 59 59 ARG H H 59 7.840 7.840 7.467 0.373 19012 2088 1 5 . 1 1 60 60 ILE N N 60 118.464 118.464 121.282 -2.818 19012 2089 1 5 . 1 1 60 60 ILE HA H 60 4.409 4.409 4.607 -0.198 19012 2090 1 5 . 1 1 60 60 ILE CA C 60 58.461 58.461 61.147 -2.686 19012 2091 1 5 . 1 1 60 60 ILE CB C 60 36.943 36.943 38.042 -1.099 19012 2092 1 5 . 1 1 60 60 ILE H H 60 8.150 8.150 8.877 -0.727 19012 2093 1 5 . 1 1 61 61 TYR N N 61 130.267 130.267 131.198 -0.931 19012 2094 1 5 . 1 1 61 61 TYR HA H 61 4.399 4.399 4.555 -0.156 19012 2095 1 5 . 1 1 61 61 TYR CA C 61 53.435 53.435 56.832 -3.397 19012 2096 1 5 . 1 1 61 61 TYR CB C 61 37.443 37.443 38.128 -0.685 19012 2097 1 5 . 1 1 61 61 TYR H H 61 9.304 9.304 9.317 -0.013 19012 2098 1 5 . 1 1 62 62 ILE N N 62 129.152 129.152 128.526 0.626 19012 2099 1 5 . 1 1 62 62 ILE HA H 62 4.035 4.035 4.141 -0.106 19012 2100 1 5 . 1 1 62 62 ILE CA C 62 55.538 55.538 59.305 -3.767 19012 2101 1 5 . 1 1 62 62 ILE CB C 62 33.654 33.654 36.736 -3.083 19012 2102 1 5 . 1 1 62 62 ILE H H 62 8.326 8.326 8.759 -0.433 19012 2103 1 5 . 1 1 63 63 TYR N N 63 119.836 119.836 121.689 -1.853 19012 2104 1 5 . 1 1 63 63 TYR HA H 63 4.563 4.563 4.431 0.132 19012 2105 1 5 . 1 1 63 63 TYR CA C 63 52.035 52.035 56.330 -4.295 19012 2106 1 5 . 1 1 63 63 TYR CB C 63 36.267 36.267 40.218 -3.951 19012 2107 1 5 . 1 1 63 63 TYR H H 63 8.397 8.397 7.847 0.550 19012 2108 1 5 . 1 1 64 64 ASP N N 64 117.747 117.747 120.935 -3.188 19012 2109 1 5 . 1 1 64 64 ASP HA H 64 4.270 4.270 4.747 -0.477 19012 2110 1 5 . 1 1 64 64 ASP CA C 64 51.384 51.384 54.155 -2.771 19012 2111 1 5 . 1 1 64 64 ASP CB C 64 35.510 35.510 43.136 -7.626 19012 2112 1 5 . 1 1 64 64 ASP H H 64 8.570 8.570 7.289 1.281 19012 2113 1 5 . 1 1 65 65 VAL N N 65 117.619 117.619 124.038 -6.419 19012 2114 1 5 . 1 1 65 65 VAL HA H 65 4.329 4.329 4.667 -0.338 19012 2115 1 5 . 1 1 65 65 VAL CA C 65 61.015 61.015 61.091 -0.076 19012 2116 1 5 . 1 1 65 65 VAL CB C 65 29.350 29.350 34.654 -5.304 19012 2117 1 5 . 1 1 65 65 VAL H H 65 8.116 8.116 8.388 -0.272 19012 2118 1 5 . 1 1 66 66 TYR N N 66 127.317 127.317 126.229 1.088 19012 2119 1 5 . 1 1 66 66 TYR HA H 66 4.567 4.567 5.099 -0.532 19012 2120 1 5 . 1 1 66 66 TYR CA C 66 53.116 53.116 55.882 -2.766 19012 2121 1 5 . 1 1 66 66 TYR CB C 66 39.090 39.090 40.763 -1.673 19012 2122 1 5 . 1 1 66 66 TYR H H 66 8.911 8.911 9.325 -0.414 19012 2123 1 5 . 1 1 67 67 PRO HA H 67 3.778 3.778 4.078 -0.300 19012 2124 1 5 . 1 1 67 67 PRO CA C 67 60.736 60.736 63.957 -3.221 19012 2125 1 5 . 1 1 67 67 PRO CB C 67 32.039 32.039 31.534 0.505 19012 2126 1 5 . 1 1 68 68 ASP N N 68 122.446 122.446 119.602 2.844 19012 2127 1 5 . 1 1 68 68 ASP HA H 68 4.595 4.595 4.696 -0.101 19012 2128 1 5 . 1 1 68 68 ASP CA C 68 51.405 51.405 53.064 -1.659 19012 2129 1 5 . 1 1 68 68 ASP CB C 68 37.732 37.732 41.080 -3.348 19012 2130 1 5 . 1 1 68 68 ASP H H 68 8.017 8.017 7.868 0.149 19012 2131 1 5 . 1 1 69 69 GLU N N 69 121.842 121.842 122.004 -0.162 19012 2132 1 5 . 1 1 69 69 GLU HA H 69 4.167 4.167 4.563 -0.396 19012 2133 1 5 . 1 1 69 69 GLU CA C 69 54.191 54.191 55.909 -1.718 19012 2134 1 5 . 1 1 69 69 GLU CB C 69 27.200 27.200 30.599 -3.399 19012 2135 1 5 . 1 1 69 69 GLU H H 69 8.109 8.109 8.490 -0.381 19012 2136 1 5 . 1 1 70 70 LYS N N 70 121.975 121.975 122.995 -1.020 19012 2137 1 5 . 1 1 70 70 LYS HA H 70 4.532 4.532 4.547 -0.015 19012 2138 1 5 . 1 1 70 70 LYS CA C 70 52.097 52.097 54.691 -2.594 19012 2139 1 5 . 1 1 70 70 LYS CB C 70 33.247 33.247 33.664 -0.417 19012 2140 1 5 . 1 1 70 70 LYS H H 70 7.646 7.646 8.511 -0.865 19012 2141 1 5 . 1 1 71 71 THR N N 71 120.177 120.177 117.783 2.394 19012 2142 1 5 . 1 1 71 71 THR HA H 71 4.386 4.386 4.375 0.011 19012 2143 1 5 . 1 1 71 71 THR CA C 71 58.759 58.759 60.620 -1.861 19012 2144 1 5 . 1 1 71 71 THR CB C 71 66.724 66.724 69.348 -2.624 19012 2145 1 5 . 1 1 71 71 THR H H 71 8.258 8.258 8.431 -0.173 19012 2146 1 5 . 1 1 72 72 PRO HA H 72 4.389 4.389 4.269 0.120 19012 2147 1 5 . 1 1 72 72 PRO CA C 72 61.688 61.688 62.882 -1.194 19012 2148 1 5 . 1 1 72 72 PRO CB C 72 31.440 31.440 32.178 -0.738 19012 2149 1 5 . 1 1 73 73 TYR N N 73 118.747 118.747 117.805 0.942 19012 2150 1 5 . 1 1 73 73 TYR HA H 73 4.857 4.857 4.821 0.036 19012 2151 1 5 . 1 1 73 73 TYR CA C 73 52.643 52.643 55.969 -3.326 19012 2152 1 5 . 1 1 73 73 TYR CB C 73 37.470 37.470 38.926 -1.456 19012 2153 1 5 . 1 1 73 73 TYR H H 73 7.988 7.988 8.170 -0.182 19012 2154 1 5 . 1 1 74 74 TYR N N 74 114.692 114.692 119.047 -4.355 19012 2155 1 5 . 1 1 74 74 TYR HA H 74 5.548 5.548 5.536 0.012 19012 2156 1 5 . 1 1 74 74 TYR CA C 74 53.855 53.855 57.868 -4.013 19012 2157 1 5 . 1 1 74 74 TYR CB C 74 39.316 39.316 40.113 -0.797 19012 2158 1 5 . 1 1 74 74 TYR H H 74 8.370 8.370 8.558 -0.188 19012 2159 1 5 . 1 1 75 75 LEU N N 75 120.717 120.717 124.073 -3.356 19012 2160 1 5 . 1 1 75 75 LEU HA H 75 4.456 4.456 4.712 -0.256 19012 2161 1 5 . 1 1 75 75 LEU CA C 75 50.648 50.648 53.724 -3.076 19012 2162 1 5 . 1 1 75 75 LEU CB C 75 41.979 41.979 45.448 -3.469 19012 2163 1 5 . 1 1 75 75 LEU H H 75 9.467 9.467 8.966 0.501 19012 2164 1 5 . 1 1 76 76 ASP N N 76 123.675 123.675 123.166 0.509 19012 2165 1 5 . 1 1 76 76 ASP HA H 76 5.041 5.041 4.924 0.117 19012 2166 1 5 . 1 1 76 76 ASP CA C 76 51.324 51.324 54.212 -2.888 19012 2167 1 5 . 1 1 76 76 ASP CB C 76 39.376 39.376 42.437 -3.061 19012 2168 1 5 . 1 1 76 76 ASP H H 76 7.825 7.825 8.676 -0.851 19012 2169 1 5 . 1 1 77 77 CYS N N 77 118.147 118.147 117.989 0.158 19012 2170 1 5 . 1 1 77 77 CYS HA H 77 5.514 5.514 5.188 0.326 19012 2171 1 5 . 1 1 77 77 CYS CA C 77 53.205 53.205 55.839 -2.634 19012 2172 1 5 . 1 1 77 77 CYS CB C 77 30.347 30.347 32.102 -1.755 19012 2173 1 5 . 1 1 77 77 CYS H H 77 8.504 8.504 8.480 0.024 19012 2174 1 5 . 1 1 78 78 LYS N N 78 119.791 119.791 117.937 1.854 19012 2175 1 5 . 1 1 78 78 LYS HA H 78 4.398 4.398 4.584 -0.186 19012 2176 1 5 . 1 1 78 78 LYS CA C 78 52.033 52.033 54.524 -2.491 19012 2177 1 5 . 1 1 78 78 LYS CB C 78 33.618 33.618 34.774 -1.156 19012 2178 1 5 . 1 1 78 78 LYS H H 78 8.483 8.483 8.325 0.158 19012 2179 1 5 . 1 1 79 79 ILE N N 79 122.179 122.179 120.464 1.715 19012 2180 1 5 . 1 1 79 79 ILE HA H 79 5.410 5.410 5.308 0.102 19012 2181 1 5 . 1 1 79 79 ILE CA C 79 56.581 56.581 59.166 -2.586 19012 2182 1 5 . 1 1 79 79 ILE CB C 79 41.302 41.302 41.971 -0.669 19012 2183 1 5 . 1 1 79 79 ILE H H 79 8.923 8.923 8.394 0.529 19012 2184 1 5 . 1 1 80 80 SER N N 80 122.640 122.640 122.002 0.638 19012 2185 1 5 . 1 1 80 80 SER HA H 80 4.760 4.760 4.945 -0.185 19012 2186 1 5 . 1 1 80 80 SER CB C 80 62.504 62.504 64.973 -2.469 19012 2187 1 5 . 1 1 80 80 SER H H 80 9.150 9.150 9.138 0.012 19012 2188 1 5 . 1 1 81 81 GLY N N 81 111.781 111.781 111.201 0.580 19012 2189 1 5 . 1 1 81 81 GLY CA C 81 44.910 44.910 46.114 -1.204 19012 2190 1 5 . 1 1 81 81 GLY H H 81 8.832 8.832 8.376 0.456 19012 2191 1 5 . 1 1 82 82 THR N N 82 110.902 110.902 115.333 -4.431 19012 2192 1 5 . 1 1 82 82 THR HA H 82 4.541 4.541 4.474 0.067 19012 2193 1 5 . 1 1 82 82 THR CA C 82 58.833 58.833 62.615 -3.782 19012 2194 1 5 . 1 1 82 82 THR H H 82 8.284 8.284 8.167 0.117 19012 2195 1 5 . 1 1 83 83 THR N N 83 119.808 119.808 120.427 -0.619 19012 2196 1 5 . 1 1 83 83 THR HA H 83 5.576 5.576 5.324 0.252 19012 2197 1 5 . 1 1 83 83 THR CA C 83 59.711 59.711 62.860 -3.149 19012 2198 1 5 . 1 1 83 83 THR CB C 83 68.486 68.486 70.868 -2.382 19012 2199 1 5 . 1 1 83 83 THR H H 83 8.178 8.178 8.123 0.055 19012 2200 1 5 . 1 1 84 84 LEU N N 84 128.946 128.946 126.715 2.231 19012 2201 1 5 . 1 1 84 84 LEU HA H 84 4.787 4.787 4.793 -0.006 19012 2202 1 5 . 1 1 84 84 LEU CA C 84 50.979 50.979 53.609 -2.630 19012 2203 1 5 . 1 1 84 84 LEU CB C 84 43.114 43.114 44.617 -1.504 19012 2204 1 5 . 1 1 84 84 LEU H H 84 9.103 9.103 9.144 -0.041 19012 2205 1 5 . 1 1 85 85 LYS N N 85 129.439 129.439 126.144 3.295 19012 2206 1 5 . 1 1 85 85 LYS HA H 85 5.220 5.220 4.696 0.524 19012 2207 1 5 . 1 1 85 85 LYS CA C 85 52.028 52.028 54.904 -2.876 19012 2208 1 5 . 1 1 85 85 LYS CB C 85 32.656 32.656 33.598 -0.942 19012 2209 1 5 . 1 1 85 85 LYS H H 85 9.336 9.336 8.892 0.444 19012 2210 1 5 . 1 1 86 86 VAL N N 86 127.719 127.719 127.776 -0.057 19012 2211 1 5 . 1 1 86 86 VAL HA H 86 4.279 4.279 3.803 0.476 19012 2212 1 5 . 1 1 86 86 VAL CA C 86 59.179 59.179 63.616 -4.437 19012 2213 1 5 . 1 1 86 86 VAL CB C 86 29.826 29.826 31.670 -1.844 19012 2214 1 5 . 1 1 86 86 VAL H H 86 9.122 9.122 8.209 0.913 19012 2215 1 5 . 1 1 87 87 GLU N N 87 126.504 126.504 129.151 -2.647 19012 2216 1 5 . 1 1 87 87 GLU HA H 87 4.215 4.215 4.347 -0.132 19012 2217 1 5 . 1 1 87 87 GLU CA C 87 55.427 55.427 57.802 -2.375 19012 2218 1 5 . 1 1 87 87 GLU CB C 87 29.038 29.038 30.860 -1.823 19012 2219 1 5 . 1 1 87 87 GLU H H 87 8.960 8.960 8.767 0.193 19012 2220 1 5 . 1 1 88 88 THR N N 88 109.146 109.146 111.726 -2.580 19012 2221 1 5 . 1 1 88 88 THR HA H 88 4.560 4.560 4.460 0.100 19012 2222 1 5 . 1 1 88 88 THR CA C 88 57.802 57.802 61.625 -3.823 19012 2223 1 5 . 1 1 88 88 THR CB C 88 69.805 69.805 70.746 -0.941 19012 2224 1 5 . 1 1 88 88 THR H H 88 7.079 7.079 7.626 -0.547 19012 2225 1 5 . 1 1 89 89 GLY N N 89 102.665 102.665 112.633 -9.968 19012 2226 1 5 . 1 1 89 89 GLY CA C 89 42.083 42.083 44.521 -2.438 19012 2227 1 5 . 1 1 89 89 GLY H H 89 7.984 7.984 8.015 -0.031 19012 2228 1 5 . 1 1 90 90 SER N N 90 118.973 118.973 116.533 2.440 19012 2229 1 5 . 1 1 90 90 SER HA H 90 4.103 4.103 4.142 -0.039 19012 2230 1 5 . 1 1 90 90 SER CA C 90 58.840 58.840 61.273 -2.433 19012 2231 1 5 . 1 1 90 90 SER CB C 90 60.079 60.079 63.256 -3.177 19012 2232 1 5 . 1 1 90 90 SER H H 90 8.854 8.854 8.822 0.032 19012 2233 1 5 . 1 1 91 91 GLU N N 91 120.699 120.699 118.606 2.093 19012 2234 1 5 . 1 1 91 91 GLU HA H 91 3.676 3.676 4.343 -0.667 19012 2235 1 5 . 1 1 91 91 GLU CA C 91 54.571 54.571 55.461 -0.890 19012 2236 1 5 . 1 1 91 91 GLU CB C 91 26.627 26.627 29.177 -2.550 19012 2237 1 5 . 1 1 91 91 GLU H H 91 10.220 10.220 8.112 2.108 19012 2238 1 5 . 1 1 92 92 ALA N N 92 121.411 121.411 123.809 -2.398 19012 2239 1 5 . 1 1 92 92 ALA HA H 92 3.691 3.691 4.194 -0.503 19012 2240 1 5 . 1 1 92 92 ALA CA C 92 50.916 50.916 53.342 -2.426 19012 2241 1 5 . 1 1 92 92 ALA CB C 92 16.118 16.118 17.994 -1.876 19012 2242 1 5 . 1 1 92 92 ALA H H 92 7.014 7.014 7.351 -0.337 19012 2243 1 5 . 1 1 93 93 GLY N N 93 109.056 109.056 110.730 -1.674 19012 2244 1 5 . 1 1 93 93 GLY CA C 93 42.601 42.601 45.257 -2.656 19012 2245 1 5 . 1 1 93 93 GLY H H 93 8.706 8.706 7.787 0.919 19012 2246 1 5 . 1 1 94 94 THR N N 94 117.255 117.255 115.970 1.285 19012 2247 1 5 . 1 1 94 94 THR HA H 94 4.831 4.831 5.162 -0.331 19012 2248 1 5 . 1 1 94 94 THR CA C 94 60.491 60.491 59.943 0.548 19012 2249 1 5 . 1 1 94 94 THR CB C 94 66.403 66.403 69.821 -3.418 19012 2250 1 5 . 1 1 94 94 THR H H 94 8.637 8.637 8.055 0.582 19012 2251 1 5 . 1 1 95 95 TYR N N 95 127.051 127.051 126.469 0.582 19012 2252 1 5 . 1 1 95 95 TYR HA H 95 4.564 4.564 5.467 -0.903 19012 2253 1 5 . 1 1 95 95 TYR CA C 95 53.889 53.889 56.532 -2.643 19012 2254 1 5 . 1 1 95 95 TYR CB C 95 39.733 39.733 42.729 -2.996 19012 2255 1 5 . 1 1 95 95 TYR H H 95 10.060 10.060 8.629 1.431 19012 2256 1 5 . 1 1 96 96 LYS N N 96 119.487 119.487 119.732 -0.245 19012 2257 1 5 . 1 1 96 96 LYS HA H 96 5.668 5.668 5.684 -0.016 19012 2258 1 5 . 1 1 96 96 LYS CA C 96 50.781 50.781 53.585 -2.804 19012 2259 1 5 . 1 1 96 96 LYS CB C 96 31.840 31.840 36.098 -4.258 19012 2260 1 5 . 1 1 96 96 LYS H H 96 8.960 8.960 9.431 -0.471 19012 2261 1 5 . 1 1 97 97 LYS N N 97 128.866 128.866 123.198 5.668 19012 2262 1 5 . 1 1 97 97 LYS HA H 97 3.701 3.701 3.541 0.160 19012 2263 1 5 . 1 1 97 97 LYS CA C 97 55.022 55.022 57.129 -2.107 19012 2264 1 5 . 1 1 97 97 LYS CB C 97 30.744 30.744 32.535 -1.791 19012 2265 1 5 . 1 1 97 97 LYS H H 97 8.729 8.729 8.589 0.140 19012 2266 1 5 . 1 1 98 98 GLN N N 98 127.056 127.056 124.790 2.266 19012 2267 1 5 . 1 1 98 98 GLN HA H 98 4.244 4.244 4.521 -0.277 19012 2268 1 5 . 1 1 98 98 GLN CA C 98 52.689 52.689 54.786 -2.097 19012 2269 1 5 . 1 1 98 98 GLN CB C 98 28.065 28.065 28.628 -0.563 19012 2270 1 5 . 1 1 98 98 GLN H H 98 8.992 8.992 8.254 0.738 19012 2271 1 6 . 1 1 2 2 GLU N N 2 119.968 119.968 121.933 -1.965 19012 2272 1 6 . 1 1 2 2 GLU HA H 2 4.009 4.009 4.616 -0.607 19012 2273 1 6 . 1 1 2 2 GLU CA C 2 53.190 53.190 56.708 -3.518 19012 2274 1 6 . 1 1 2 2 GLU CB C 2 27.574 27.574 31.286 -3.712 19012 2275 1 6 . 1 1 2 2 GLU H H 2 8.212 8.212 8.409 -0.197 19012 2276 1 6 . 1 1 3 3 ASP N N 3 122.057 122.057 122.317 -0.260 19012 2277 1 6 . 1 1 3 3 ASP HA H 3 4.509 4.509 4.876 -0.367 19012 2278 1 6 . 1 1 3 3 ASP CA C 3 50.691 50.691 53.263 -2.572 19012 2279 1 6 . 1 1 3 3 ASP CB C 3 38.121 38.121 39.810 -1.689 19012 2280 1 6 . 1 1 3 3 ASP H H 3 8.209 8.209 8.446 -0.237 19012 2281 1 6 . 1 1 4 4 TRP N N 4 121.397 121.397 121.555 -0.158 19012 2282 1 6 . 1 1 4 4 TRP HA H 4 4.749 4.749 4.758 -0.009 19012 2283 1 6 . 1 1 4 4 TRP CA C 4 53.792 53.792 56.831 -3.039 19012 2284 1 6 . 1 1 4 4 TRP CB C 4 27.994 27.994 30.284 -2.290 19012 2285 1 6 . 1 1 4 4 TRP H H 4 7.614 7.614 7.769 -0.155 19012 2286 1 6 . 1 1 5 5 THR N N 5 117.669 117.669 117.674 -0.005 19012 2287 1 6 . 1 1 5 5 THR HA H 5 4.733 4.733 4.400 0.333 19012 2288 1 6 . 1 1 5 5 THR CA C 5 57.170 57.170 61.616 -4.446 19012 2289 1 6 . 1 1 5 5 THR CB C 5 68.444 68.444 69.537 -1.093 19012 2290 1 6 . 1 1 5 5 THR H H 5 9.387 9.387 8.431 0.956 19012 2291 1 6 . 1 1 6 6 GLU N N 6 121.359 121.359 120.062 1.297 19012 2292 1 6 . 1 1 6 6 GLU HA H 6 4.283 4.283 4.142 0.141 19012 2293 1 6 . 1 1 6 6 GLU CA C 6 53.743 53.743 57.275 -3.532 19012 2294 1 6 . 1 1 6 6 GLU CB C 6 28.184 28.184 30.055 -1.871 19012 2295 1 6 . 1 1 6 6 GLU H H 6 8.027 8.027 8.560 -0.533 19012 2296 1 6 . 1 1 7 7 LEU N N 7 126.701 126.701 126.082 0.619 19012 2297 1 6 . 1 1 7 7 LEU HA H 7 4.217 4.217 4.300 -0.083 19012 2298 1 6 . 1 1 7 7 LEU CA C 7 52.720 52.720 55.842 -3.122 19012 2299 1 6 . 1 1 7 7 LEU CB C 7 40.595 40.595 42.730 -2.135 19012 2300 1 6 . 1 1 7 7 LEU H H 7 8.626 8.626 8.555 0.071 19012 2301 1 6 . 1 1 8 8 ASN N N 8 121.528 121.528 121.295 0.233 19012 2302 1 6 . 1 1 8 8 ASN HA H 8 4.611 4.611 4.975 -0.364 19012 2303 1 6 . 1 1 8 8 ASN CA C 8 49.652 49.652 52.283 -2.631 19012 2304 1 6 . 1 1 8 8 ASN CB C 8 38.102 38.102 42.388 -4.286 19012 2305 1 6 . 1 1 8 8 ASN H H 8 9.218 9.218 8.393 0.825 19012 2306 1 6 . 1 1 9 9 SER N N 9 109.319 109.319 117.296 -7.977 19012 2307 1 6 . 1 1 9 9 SER HA H 9 4.045 4.045 4.104 -0.059 19012 2308 1 6 . 1 1 9 9 SER CA C 9 58.381 58.381 62.136 -3.755 19012 2309 1 6 . 1 1 9 9 SER CB C 9 60.521 60.521 63.171 -2.650 19012 2310 1 6 . 1 1 9 9 SER H H 9 8.268 8.268 8.867 -0.599 19012 2311 1 6 . 1 1 10 10 ASN N N 10 117.403 117.403 118.210 -0.807 19012 2312 1 6 . 1 1 10 10 ASN HA H 10 4.872 4.872 4.660 0.212 19012 2313 1 6 . 1 1 10 10 ASN CA C 10 52.508 52.508 54.885 -2.377 19012 2314 1 6 . 1 1 10 10 ASN CB C 10 37.905 37.905 38.400 -0.495 19012 2315 1 6 . 1 1 10 10 ASN H H 10 8.610 8.610 8.676 -0.066 19012 2316 1 6 . 1 1 11 11 ASN N N 11 119.053 119.053 117.829 1.224 19012 2317 1 6 . 1 1 11 11 ASN HA H 11 4.396 4.396 4.714 -0.318 19012 2318 1 6 . 1 1 11 11 ASN CA C 11 51.832 51.832 54.788 -2.956 19012 2319 1 6 . 1 1 11 11 ASN CB C 11 34.355 34.355 38.765 -4.410 19012 2320 1 6 . 1 1 11 11 ASN H H 11 8.614 8.614 7.705 0.909 19012 2321 1 6 . 1 1 12 12 ILE N N 12 117.943 117.943 119.287 -1.344 19012 2322 1 6 . 1 1 12 12 ILE HA H 12 4.185 4.185 4.172 0.013 19012 2323 1 6 . 1 1 12 12 ILE CA C 12 55.309 55.309 60.864 -5.556 19012 2324 1 6 . 1 1 12 12 ILE CB C 12 36.651 36.651 38.707 -2.056 19012 2325 1 6 . 1 1 12 12 ILE H H 12 7.041 7.041 7.607 -0.566 19012 2326 1 6 . 1 1 13 13 ILE N N 13 118.354 118.354 120.402 -2.048 19012 2327 1 6 . 1 1 13 13 ILE HA H 13 3.800 3.800 4.291 -0.491 19012 2328 1 6 . 1 1 13 13 ILE CA C 13 58.469 58.469 61.504 -3.035 19012 2329 1 6 . 1 1 13 13 ILE CB C 13 34.584 34.584 35.516 -0.932 19012 2330 1 6 . 1 1 13 13 ILE H H 13 6.635 6.635 7.482 -0.847 19012 2331 1 6 . 1 1 14 14 GLY N N 14 114.150 114.150 113.912 0.238 19012 2332 1 6 . 1 1 14 14 GLY CA C 14 41.496 41.496 44.689 -3.193 19012 2333 1 6 . 1 1 14 14 GLY H H 14 8.842 8.842 8.556 0.286 19012 2334 1 6 . 1 1 15 15 TYR N N 15 119.014 119.014 120.455 -1.441 19012 2335 1 6 . 1 1 15 15 TYR HA H 15 4.961 4.961 4.926 0.035 19012 2336 1 6 . 1 1 15 15 TYR CA C 15 54.499 54.499 57.960 -3.461 19012 2337 1 6 . 1 1 15 15 TYR CB C 15 38.075 38.075 40.960 -2.885 19012 2338 1 6 . 1 1 15 15 TYR H H 15 8.264 8.264 7.755 0.509 19012 2339 1 6 . 1 1 16 16 TRP N N 16 124.101 124.101 124.939 -0.838 19012 2340 1 6 . 1 1 16 16 TRP HA H 16 5.175 5.175 5.397 -0.222 19012 2341 1 6 . 1 1 16 16 TRP CA C 16 52.970 52.970 56.311 -3.341 19012 2342 1 6 . 1 1 16 16 TRP CB C 16 28.341 28.341 32.111 -3.770 19012 2343 1 6 . 1 1 16 16 TRP H H 16 9.497 9.497 9.259 0.238 19012 2344 1 6 . 1 1 17 17 SER N N 17 115.863 115.863 119.283 -3.420 19012 2345 1 6 . 1 1 17 17 SER HA H 17 6.272 6.272 5.559 0.713 19012 2346 1 6 . 1 1 17 17 SER CA C 17 53.039 53.039 55.641 -2.602 19012 2347 1 6 . 1 1 17 17 SER CB C 17 63.415 63.415 65.534 -2.119 19012 2348 1 6 . 1 1 17 17 SER H H 17 9.182 9.182 9.228 -0.046 19012 2349 1 6 . 1 1 18 18 THR N N 18 119.520 119.520 119.971 -0.451 19012 2350 1 6 . 1 1 18 18 THR CB C 18 67.199 67.199 69.025 -1.826 19012 2351 1 6 . 1 1 18 18 THR H H 18 8.996 8.996 8.119 0.877 19012 2352 1 6 . 1 1 19 19 GLY N N 19 110.006 110.006 106.327 3.679 19012 2353 1 6 . 1 1 19 19 GLY CA C 19 42.615 42.615 44.853 -2.238 19012 2354 1 6 . 1 1 19 19 GLY H H 19 8.206 8.206 7.359 0.847 19012 2355 1 6 . 1 1 20 20 ILE N N 20 111.313 111.313 115.822 -4.509 19012 2356 1 6 . 1 1 20 20 ILE HA H 20 3.519 3.519 4.101 -0.582 19012 2357 1 6 . 1 1 20 20 ILE CA C 20 57.765 57.765 60.230 -2.465 19012 2358 1 6 . 1 1 20 20 ILE CB C 20 37.839 37.839 38.104 -0.265 19012 2359 1 6 . 1 1 20 20 ILE H H 20 7.953 7.953 8.174 -0.221 19012 2360 1 6 . 1 1 21 21 GLU N N 21 119.547 119.547 120.343 -0.796 19012 2361 1 6 . 1 1 21 21 GLU HA H 21 4.463 4.463 4.685 -0.222 19012 2362 1 6 . 1 1 21 21 GLU CA C 21 52.227 52.227 54.560 -2.333 19012 2363 1 6 . 1 1 21 21 GLU CB C 21 29.468 29.468 31.097 -1.629 19012 2364 1 6 . 1 1 21 21 GLU H H 21 7.514 7.514 7.345 0.169 19012 2365 1 6 . 1 1 22 22 GLY N N 22 109.534 109.534 106.584 2.950 19012 2366 1 6 . 1 1 22 22 GLY CA C 22 43.582 43.582 46.927 -3.345 19012 2367 1 6 . 1 1 22 22 GLY H H 22 8.457 8.457 8.856 -0.399 19012 2368 1 6 . 1 1 23 23 THR N N 23 124.632 124.632 113.597 11.035 19012 2369 1 6 . 1 1 23 23 THR HA H 23 5.271 5.271 4.851 0.420 19012 2370 1 6 . 1 1 23 23 THR CA C 23 60.060 60.060 61.871 -1.812 19012 2371 1 6 . 1 1 23 23 THR CB C 23 65.680 65.680 70.865 -5.185 19012 2372 1 6 . 1 1 23 23 THR H H 23 8.881 8.881 7.597 1.284 19012 2373 1 6 . 1 1 24 24 HIS N N 24 122.881 122.881 121.715 1.166 19012 2374 1 6 . 1 1 24 24 HIS HA H 24 4.780 4.780 5.074 -0.294 19012 2375 1 6 . 1 1 24 24 HIS CA C 24 50.970 50.970 54.385 -3.415 19012 2376 1 6 . 1 1 24 24 HIS CB C 24 27.898 27.898 32.372 -4.474 19012 2377 1 6 . 1 1 24 24 HIS H H 24 8.919 8.919 8.891 0.028 19012 2378 1 6 . 1 1 25 25 LYS N N 25 119.738 119.738 119.261 0.477 19012 2379 1 6 . 1 1 25 25 LYS HA H 25 5.437 5.437 5.149 0.288 19012 2380 1 6 . 1 1 25 25 LYS CA C 25 52.650 52.650 55.732 -3.082 19012 2381 1 6 . 1 1 25 25 LYS CB C 25 33.277 33.277 36.497 -3.220 19012 2382 1 6 . 1 1 25 25 LYS H H 25 8.816 8.816 8.834 -0.018 19012 2383 1 6 . 1 1 26 26 LEU N N 26 126.017 126.017 123.008 3.009 19012 2384 1 6 . 1 1 26 26 LEU HA H 26 5.825 5.825 5.410 0.414 19012 2385 1 6 . 1 1 26 26 LEU CA C 26 51.614 51.614 53.380 -1.766 19012 2386 1 6 . 1 1 26 26 LEU CB C 26 44.544 44.544 46.048 -1.504 19012 2387 1 6 . 1 1 26 26 LEU H H 26 9.420 9.420 9.091 0.329 19012 2388 1 6 . 1 1 27 27 LEU N N 27 128.825 128.825 125.862 2.963 19012 2389 1 6 . 1 1 27 27 LEU HA H 27 5.417 5.417 5.384 0.033 19012 2390 1 6 . 1 1 27 27 LEU CA C 27 50.740 50.740 53.464 -2.724 19012 2391 1 6 . 1 1 27 27 LEU CB C 27 44.569 44.569 46.570 -2.001 19012 2392 1 6 . 1 1 27 27 LEU H H 27 9.475 9.475 9.213 0.262 19012 2393 1 6 . 1 1 28 28 SER N N 28 117.701 117.701 113.916 3.785 19012 2394 1 6 . 1 1 28 28 SER HA H 28 5.337 5.337 5.633 -0.296 19012 2395 1 6 . 1 1 28 28 SER CA C 28 53.530 53.530 56.823 -3.293 19012 2396 1 6 . 1 1 28 28 SER CB C 28 63.368 63.368 66.676 -3.308 19012 2397 1 6 . 1 1 28 28 SER H H 28 8.859 8.859 8.642 0.217 19012 2398 1 6 . 1 1 29 29 PHE N N 29 117.319 117.319 119.227 -1.908 19012 2399 1 6 . 1 1 29 29 PHE HA H 29 4.679 4.679 5.092 -0.413 19012 2400 1 6 . 1 1 29 29 PHE CA C 29 54.565 54.565 57.800 -3.235 19012 2401 1 6 . 1 1 29 29 PHE CB C 29 39.104 39.104 42.636 -3.532 19012 2402 1 6 . 1 1 29 29 PHE H H 29 8.401 8.401 8.853 -0.452 19012 2403 1 6 . 1 1 30 30 ASP N N 30 123.741 123.741 124.370 -0.629 19012 2404 1 6 . 1 1 30 30 ASP HA H 30 5.217 5.217 5.089 0.128 19012 2405 1 6 . 1 1 30 30 ASP CA C 30 50.408 50.408 53.999 -3.591 19012 2406 1 6 . 1 1 30 30 ASP CB C 30 41.148 41.148 42.896 -1.748 19012 2407 1 6 . 1 1 30 30 ASP H H 30 9.573 9.573 9.056 0.517 19012 2408 1 6 . 1 1 31 31 GLU N N 31 127.123 127.123 118.253 8.870 19012 2409 1 6 . 1 1 31 31 GLU HA H 31 4.127 4.127 4.388 -0.261 19012 2410 1 6 . 1 1 31 31 GLU CA C 31 56.324 56.324 58.392 -2.068 19012 2411 1 6 . 1 1 31 31 GLU CB C 31 27.283 27.283 30.248 -2.965 19012 2412 1 6 . 1 1 31 31 GLU H H 31 9.718 9.718 8.789 0.929 19012 2413 1 6 . 1 1 32 32 ASP N N 32 119.011 119.011 118.480 0.531 19012 2414 1 6 . 1 1 32 32 ASP HA H 32 4.443 4.443 4.832 -0.389 19012 2415 1 6 . 1 1 32 32 ASP CA C 32 50.919 50.919 54.084 -3.164 19012 2416 1 6 . 1 1 32 32 ASP CB C 32 37.344 37.344 40.378 -3.034 19012 2417 1 6 . 1 1 32 32 ASP H H 32 8.911 8.911 8.146 0.765 19012 2418 1 6 . 1 1 33 33 GLY N N 33 106.215 106.215 109.111 -2.896 19012 2419 1 6 . 1 1 33 33 GLY CA C 33 43.879 43.879 45.347 -1.468 19012 2420 1 6 . 1 1 33 33 GLY H H 33 7.781 7.781 8.114 -0.333 19012 2421 1 6 . 1 1 34 34 THR N N 34 111.570 111.570 112.642 -1.072 19012 2422 1 6 . 1 1 34 34 THR HA H 34 5.474 5.474 5.079 0.395 19012 2423 1 6 . 1 1 34 34 THR CA C 34 57.389 57.389 60.927 -3.538 19012 2424 1 6 . 1 1 34 34 THR CB C 34 69.991 69.991 71.740 -1.748 19012 2425 1 6 . 1 1 34 34 THR H H 34 7.863 7.863 7.843 0.020 19012 2426 1 6 . 1 1 35 35 GLY N N 35 106.781 106.781 107.048 -0.267 19012 2427 1 6 . 1 1 35 35 GLY CA C 35 43.233 43.233 43.465 -0.232 19012 2428 1 6 . 1 1 35 35 GLY H H 35 8.235 8.235 8.797 -0.562 19012 2429 1 6 . 1 1 36 36 SER N N 36 113.807 113.807 113.333 0.474 19012 2430 1 6 . 1 1 36 36 SER HA H 36 4.659 4.659 4.498 0.161 19012 2431 1 6 . 1 1 36 36 SER CA C 36 54.509 54.509 57.461 -2.952 19012 2432 1 6 . 1 1 36 36 SER CB C 36 64.821 64.821 67.031 -2.210 19012 2433 1 6 . 1 1 36 36 SER H H 36 8.182 8.182 8.328 -0.146 19012 2434 1 6 . 1 1 37 37 PHE N N 37 120.041 120.041 123.831 -3.790 19012 2435 1 6 . 1 1 37 37 PHE HA H 37 5.885 5.885 5.357 0.528 19012 2436 1 6 . 1 1 37 37 PHE CA C 37 52.308 52.308 55.657 -3.349 19012 2437 1 6 . 1 1 37 37 PHE CB C 37 41.174 41.174 43.079 -1.905 19012 2438 1 6 . 1 1 37 37 PHE H H 37 8.829 8.829 8.399 0.430 19012 2439 1 6 . 1 1 38 38 GLY N N 38 115.263 115.263 113.487 1.776 19012 2440 1 6 . 1 1 38 38 GLY CA C 38 42.092 42.092 43.253 -1.161 19012 2441 1 6 . 1 1 38 38 GLY H H 38 8.936 8.936 9.356 -0.420 19012 2442 1 6 . 1 1 39 39 ILE N N 39 119.791 119.791 119.312 0.479 19012 2443 1 6 . 1 1 39 39 ILE HA H 39 4.292 4.292 4.843 -0.551 19012 2444 1 6 . 1 1 39 39 ILE CA C 39 58.280 58.280 60.321 -2.041 19012 2445 1 6 . 1 1 39 39 ILE CB C 39 36.838 36.838 41.872 -5.034 19012 2446 1 6 . 1 1 39 39 ILE H H 39 7.724 7.724 7.711 0.013 19012 2447 1 6 . 1 1 40 40 TYR N N 40 125.748 125.748 122.703 3.045 19012 2448 1 6 . 1 1 40 40 TYR HA H 40 4.742 4.742 5.098 -0.356 19012 2449 1 6 . 1 1 40 40 TYR CA C 40 53.881 53.881 56.697 -2.816 19012 2450 1 6 . 1 1 40 40 TYR CB C 40 39.894 39.894 43.169 -3.275 19012 2451 1 6 . 1 1 40 40 TYR H H 40 8.782 8.782 9.240 -0.458 19012 2452 1 6 . 1 1 41 41 SER N N 41 114.721 114.721 116.625 -1.904 19012 2453 1 6 . 1 1 41 41 SER HA H 41 4.689 4.689 4.931 -0.242 19012 2454 1 6 . 1 1 41 41 SER CA C 41 53.337 53.337 57.693 -4.356 19012 2455 1 6 . 1 1 41 41 SER CB C 41 60.205 60.205 64.582 -4.377 19012 2456 1 6 . 1 1 41 41 SER H H 41 8.708 8.708 8.898 -0.190 19012 2457 1 6 . 1 1 42 42 ASN N N 42 124.063 124.063 126.630 -2.567 19012 2458 1 6 . 1 1 42 42 ASN HA H 42 4.298 4.298 4.447 -0.149 19012 2459 1 6 . 1 1 42 42 ASN CA C 42 54.083 54.083 56.674 -2.591 19012 2460 1 6 . 1 1 42 42 ASN CB C 42 34.720 34.720 37.915 -3.195 19012 2461 1 6 . 1 1 42 42 ASN H H 42 9.239 9.239 8.758 0.481 19012 2462 1 6 . 1 1 43 43 ALA N N 43 125.505 125.505 123.385 2.120 19012 2463 1 6 . 1 1 43 43 ALA HA H 43 4.576 4.576 4.733 -0.157 19012 2464 1 6 . 1 1 43 43 ALA CA C 43 50.170 50.170 52.299 -2.129 19012 2465 1 6 . 1 1 43 43 ALA CB C 43 16.678 16.678 20.301 -3.623 19012 2466 1 6 . 1 1 43 43 ALA H H 43 8.468 8.468 7.983 0.485 19012 2467 1 6 . 1 1 44 44 THR N N 44 119.056 119.056 115.863 3.193 19012 2468 1 6 . 1 1 44 44 THR HA H 44 4.550 4.550 4.748 -0.198 19012 2469 1 6 . 1 1 44 44 THR CA C 44 58.028 58.028 60.365 -2.337 19012 2470 1 6 . 1 1 44 44 THR CB C 44 68.176 68.176 71.152 -2.976 19012 2471 1 6 . 1 1 44 44 THR H H 44 8.420 8.420 7.808 0.612 19012 2472 1 6 . 1 1 45 45 PRO HA H 45 3.797 3.797 3.900 -0.103 19012 2473 1 6 . 1 1 45 45 PRO CA C 45 60.280 60.280 62.617 -2.337 19012 2474 1 6 . 1 1 45 45 PRO CB C 45 28.488 28.488 32.096 -3.608 19012 2475 1 6 . 1 1 46 46 ILE N N 46 124.607 124.607 119.896 4.711 19012 2476 1 6 . 1 1 46 46 ILE HA H 46 4.023 4.023 4.298 -0.275 19012 2477 1 6 . 1 1 46 46 ILE CA C 46 58.609 58.609 60.952 -2.343 19012 2478 1 6 . 1 1 46 46 ILE CB C 46 35.652 35.652 39.291 -3.639 19012 2479 1 6 . 1 1 46 46 ILE H H 46 8.998 8.998 8.496 0.502 19012 2480 1 6 . 1 1 47 47 SER N N 47 112.826 112.826 115.591 -2.765 19012 2481 1 6 . 1 1 47 47 SER HA H 47 4.474 4.474 4.644 -0.170 19012 2482 1 6 . 1 1 47 47 SER CA C 47 54.926 54.926 57.829 -2.903 19012 2483 1 6 . 1 1 47 47 SER CB C 47 62.419 62.419 65.112 -2.693 19012 2484 1 6 . 1 1 47 47 SER H H 47 7.439 7.439 7.605 -0.166 19012 2485 1 6 . 1 1 48 48 PHE N N 48 123.266 123.266 121.655 1.611 19012 2486 1 6 . 1 1 48 48 PHE HA H 48 5.194 5.194 4.672 0.522 19012 2487 1 6 . 1 1 48 48 PHE CA C 48 55.624 55.624 57.881 -2.257 19012 2488 1 6 . 1 1 48 48 PHE CB C 48 40.000 40.000 41.432 -1.432 19012 2489 1 6 . 1 1 48 48 PHE H H 48 8.238 8.238 8.458 -0.220 19012 2490 1 6 . 1 1 49 49 GLN N N 49 123.564 123.564 123.647 -0.083 19012 2491 1 6 . 1 1 49 49 GLN HA H 49 4.935 4.935 4.408 0.527 19012 2492 1 6 . 1 1 49 49 GLN CA C 49 51.294 51.294 53.688 -2.394 19012 2493 1 6 . 1 1 49 49 GLN CB C 49 29.688 29.688 32.516 -2.828 19012 2494 1 6 . 1 1 49 49 GLN H H 49 8.607 8.607 8.449 0.158 19012 2495 1 6 . 1 1 50 50 MET N N 50 120.626 120.626 117.465 3.161 19012 2496 1 6 . 1 1 50 50 MET HA H 50 4.637 4.637 4.574 0.063 19012 2497 1 6 . 1 1 50 50 MET CA C 50 51.562 51.562 54.476 -2.914 19012 2498 1 6 . 1 1 50 50 MET CB C 50 33.549 33.549 37.912 -4.363 19012 2499 1 6 . 1 1 50 50 MET H H 50 9.071 9.071 7.963 1.108 19012 2500 1 6 . 1 1 51 51 PHE N N 51 112.996 112.996 114.747 -1.751 19012 2501 1 6 . 1 1 51 51 PHE HA H 51 4.928 4.928 5.262 -0.334 19012 2502 1 6 . 1 1 51 51 PHE CA C 51 53.899 53.899 56.140 -2.241 19012 2503 1 6 . 1 1 51 51 PHE CB C 51 38.018 38.018 41.050 -3.032 19012 2504 1 6 . 1 1 52 52 ASP N N 52 118.727 118.727 120.329 -1.602 19012 2505 1 6 . 1 1 52 52 ASP HA H 52 5.640 5.640 5.019 0.621 19012 2506 1 6 . 1 1 52 52 ASP CA C 52 50.264 50.264 53.133 -2.869 19012 2507 1 6 . 1 1 52 52 ASP CB C 52 38.971 38.971 44.125 -5.154 19012 2508 1 6 . 1 1 52 52 ASP H H 52 8.469 8.469 8.247 0.222 19012 2509 1 6 . 1 1 53 53 TYR N N 53 115.709 115.709 114.915 0.794 19012 2510 1 6 . 1 1 53 53 TYR HA H 53 6.351 6.351 5.678 0.673 19012 2511 1 6 . 1 1 53 53 TYR CA C 53 53.296 53.296 56.058 -2.762 19012 2512 1 6 . 1 1 53 53 TYR CB C 53 40.764 40.764 41.983 -1.219 19012 2513 1 6 . 1 1 53 53 TYR H H 53 8.725 8.725 8.364 0.361 19012 2514 1 6 . 1 1 54 54 LYS N N 54 118.766 118.766 119.654 -0.888 19012 2515 1 6 . 1 1 54 54 LYS HA H 54 4.445 4.445 4.796 -0.351 19012 2516 1 6 . 1 1 54 54 LYS CA C 54 52.187 52.187 54.461 -2.273 19012 2517 1 6 . 1 1 54 54 LYS CB C 54 34.819 34.819 37.033 -2.214 19012 2518 1 6 . 1 1 54 54 LYS H H 54 8.972 8.972 8.892 0.080 19012 2519 1 6 . 1 1 55 55 ILE N N 55 122.406 122.406 121.665 0.741 19012 2520 1 6 . 1 1 55 55 ILE HA H 55 4.796 4.796 4.652 0.144 19012 2521 1 6 . 1 1 55 55 ILE CA C 55 56.172 56.172 59.796 -3.624 19012 2522 1 6 . 1 1 55 55 ILE CB C 55 33.404 33.404 36.930 -3.526 19012 2523 1 6 . 1 1 55 55 ILE H H 55 8.832 8.832 8.511 0.321 19012 2524 1 6 . 1 1 56 56 GLU N N 56 128.507 128.507 127.142 1.365 19012 2525 1 6 . 1 1 56 56 GLU HA H 56 4.575 4.575 4.530 0.045 19012 2526 1 6 . 1 1 56 56 GLU CA C 56 52.300 52.300 56.616 -4.316 19012 2527 1 6 . 1 1 56 56 GLU CB C 56 30.432 30.432 31.015 -0.583 19012 2528 1 6 . 1 1 56 56 GLU H H 56 8.787 8.787 8.936 -0.149 19012 2529 1 6 . 1 1 57 57 GLU N N 57 125.606 125.606 118.194 7.412 19012 2530 1 6 . 1 1 57 57 GLU HA H 57 3.809 3.809 4.428 -0.619 19012 2531 1 6 . 1 1 57 57 GLU CA C 57 54.254 54.254 56.885 -2.631 19012 2532 1 6 . 1 1 57 57 GLU CB C 57 25.445 25.445 30.742 -5.297 19012 2533 1 6 . 1 1 57 57 GLU H H 57 9.296 9.296 8.555 0.741 19012 2534 1 6 . 1 1 58 58 GLY N N 58 103.913 103.913 108.640 -4.727 19012 2535 1 6 . 1 1 58 58 GLY CA C 58 43.401 43.401 45.707 -2.306 19012 2536 1 6 . 1 1 58 58 GLY H H 58 8.267 8.267 8.227 0.040 19012 2537 1 6 . 1 1 59 59 ARG N N 59 119.125 119.125 117.735 1.390 19012 2538 1 6 . 1 1 59 59 ARG HA H 59 4.787 4.787 4.554 0.233 19012 2539 1 6 . 1 1 59 59 ARG CA C 59 51.812 51.812 54.366 -2.554 19012 2540 1 6 . 1 1 59 59 ARG CB C 59 32.023 32.023 33.403 -1.380 19012 2541 1 6 . 1 1 59 59 ARG H H 59 7.840 7.840 7.623 0.217 19012 2542 1 6 . 1 1 60 60 ILE N N 60 118.464 118.464 119.348 -0.884 19012 2543 1 6 . 1 1 60 60 ILE HA H 60 4.409 4.409 4.455 -0.046 19012 2544 1 6 . 1 1 60 60 ILE CA C 60 58.461 58.461 60.410 -1.950 19012 2545 1 6 . 1 1 60 60 ILE CB C 60 36.943 36.943 39.294 -2.351 19012 2546 1 6 . 1 1 60 60 ILE H H 60 8.150 8.150 8.295 -0.145 19012 2547 1 6 . 1 1 61 61 TYR N N 61 130.267 130.267 130.771 -0.504 19012 2548 1 6 . 1 1 61 61 TYR HA H 61 4.399 4.399 4.554 -0.155 19012 2549 1 6 . 1 1 61 61 TYR CA C 61 53.435 53.435 56.865 -3.430 19012 2550 1 6 . 1 1 61 61 TYR CB C 61 37.443 37.443 37.862 -0.419 19012 2551 1 6 . 1 1 61 61 TYR H H 61 9.304 9.304 8.877 0.427 19012 2552 1 6 . 1 1 62 62 ILE N N 62 129.152 129.152 127.627 1.525 19012 2553 1 6 . 1 1 62 62 ILE HA H 62 4.035 4.035 4.126 -0.091 19012 2554 1 6 . 1 1 62 62 ILE CA C 62 55.538 55.538 58.976 -3.438 19012 2555 1 6 . 1 1 62 62 ILE CB C 62 33.654 33.654 37.264 -3.610 19012 2556 1 6 . 1 1 62 62 ILE H H 62 8.326 8.326 8.384 -0.058 19012 2557 1 6 . 1 1 63 63 TYR N N 63 119.836 119.836 119.803 0.033 19012 2558 1 6 . 1 1 63 63 TYR HA H 63 4.563 4.563 4.406 0.157 19012 2559 1 6 . 1 1 63 63 TYR CA C 63 52.035 52.035 56.423 -4.388 19012 2560 1 6 . 1 1 63 63 TYR CB C 63 36.267 36.267 40.220 -3.953 19012 2561 1 6 . 1 1 63 63 TYR H H 63 8.397 8.397 7.744 0.653 19012 2562 1 6 . 1 1 64 64 ASP N N 64 117.747 117.747 121.110 -3.363 19012 2563 1 6 . 1 1 64 64 ASP HA H 64 4.270 4.270 4.741 -0.471 19012 2564 1 6 . 1 1 64 64 ASP CA C 64 51.384 51.384 54.159 -2.775 19012 2565 1 6 . 1 1 64 64 ASP CB C 64 35.510 35.510 42.468 -6.958 19012 2566 1 6 . 1 1 64 64 ASP H H 64 8.570 8.570 7.503 1.067 19012 2567 1 6 . 1 1 65 65 VAL N N 65 117.619 117.619 123.497 -5.878 19012 2568 1 6 . 1 1 65 65 VAL HA H 65 4.329 4.329 5.094 -0.765 19012 2569 1 6 . 1 1 65 65 VAL CA C 65 61.015 61.015 60.280 0.735 19012 2570 1 6 . 1 1 65 65 VAL CB C 65 29.350 29.350 35.337 -5.987 19012 2571 1 6 . 1 1 65 65 VAL H H 65 8.116 8.116 8.295 -0.179 19012 2572 1 6 . 1 1 66 66 TYR N N 66 127.317 127.317 124.929 2.388 19012 2573 1 6 . 1 1 66 66 TYR HA H 66 4.567 4.567 5.085 -0.518 19012 2574 1 6 . 1 1 66 66 TYR CA C 66 53.116 53.116 55.990 -2.874 19012 2575 1 6 . 1 1 66 66 TYR CB C 66 39.090 39.090 40.687 -1.597 19012 2576 1 6 . 1 1 66 66 TYR H H 66 8.911 8.911 8.684 0.227 19012 2577 1 6 . 1 1 67 67 PRO HA H 67 3.778 3.778 4.210 -0.432 19012 2578 1 6 . 1 1 67 67 PRO CA C 67 60.736 60.736 63.776 -3.040 19012 2579 1 6 . 1 1 67 67 PRO CB C 67 32.039 32.039 31.666 0.373 19012 2580 1 6 . 1 1 68 68 ASP N N 68 122.446 122.446 120.601 1.845 19012 2581 1 6 . 1 1 68 68 ASP HA H 68 4.595 4.595 4.702 -0.107 19012 2582 1 6 . 1 1 68 68 ASP CA C 68 51.405 51.405 53.688 -2.283 19012 2583 1 6 . 1 1 68 68 ASP CB C 68 37.732 37.732 40.801 -3.069 19012 2584 1 6 . 1 1 68 68 ASP H H 68 8.017 8.017 7.915 0.102 19012 2585 1 6 . 1 1 69 69 GLU N N 69 121.842 121.842 121.972 -0.130 19012 2586 1 6 . 1 1 69 69 GLU HA H 69 4.167 4.167 4.334 -0.167 19012 2587 1 6 . 1 1 69 69 GLU CA C 69 54.191 54.191 56.109 -1.918 19012 2588 1 6 . 1 1 69 69 GLU CB C 69 27.200 27.200 30.626 -3.426 19012 2589 1 6 . 1 1 69 69 GLU H H 69 8.109 8.109 8.522 -0.413 19012 2590 1 6 . 1 1 70 70 LYS N N 70 121.975 121.975 120.285 1.690 19012 2591 1 6 . 1 1 70 70 LYS HA H 70 4.532 4.532 4.443 0.089 19012 2592 1 6 . 1 1 70 70 LYS CA C 70 52.097 52.097 54.845 -2.748 19012 2593 1 6 . 1 1 70 70 LYS CB C 70 33.247 33.247 34.259 -1.012 19012 2594 1 6 . 1 1 70 70 LYS H H 70 7.646 7.646 8.332 -0.686 19012 2595 1 6 . 1 1 71 71 THR N N 71 120.177 120.177 118.021 2.156 19012 2596 1 6 . 1 1 71 71 THR HA H 71 4.386 4.386 4.261 0.125 19012 2597 1 6 . 1 1 71 71 THR CA C 71 58.759 58.759 60.413 -1.653 19012 2598 1 6 . 1 1 71 71 THR CB C 71 66.724 66.724 69.576 -2.852 19012 2599 1 6 . 1 1 71 71 THR H H 71 8.258 8.258 8.464 -0.206 19012 2600 1 6 . 1 1 72 72 PRO HA H 72 4.389 4.389 4.152 0.237 19012 2601 1 6 . 1 1 72 72 PRO CA C 72 61.688 61.688 62.750 -1.062 19012 2602 1 6 . 1 1 72 72 PRO CB C 72 31.440 31.440 32.212 -0.771 19012 2603 1 6 . 1 1 73 73 TYR N N 73 118.747 118.747 117.259 1.488 19012 2604 1 6 . 1 1 73 73 TYR HA H 73 4.857 4.857 4.907 -0.050 19012 2605 1 6 . 1 1 73 73 TYR CA C 73 52.643 52.643 55.999 -3.356 19012 2606 1 6 . 1 1 73 73 TYR CB C 73 37.470 37.470 38.944 -1.474 19012 2607 1 6 . 1 1 73 73 TYR H H 73 7.988 7.988 8.053 -0.065 19012 2608 1 6 . 1 1 74 74 TYR N N 74 114.692 114.692 120.564 -5.872 19012 2609 1 6 . 1 1 74 74 TYR HA H 74 5.548 5.548 5.231 0.317 19012 2610 1 6 . 1 1 74 74 TYR CA C 74 53.855 53.855 57.155 -3.300 19012 2611 1 6 . 1 1 74 74 TYR CB C 74 39.316 39.316 38.568 0.748 19012 2612 1 6 . 1 1 74 74 TYR H H 74 8.370 8.370 8.870 -0.500 19012 2613 1 6 . 1 1 75 75 LEU N N 75 120.717 120.717 127.246 -6.529 19012 2614 1 6 . 1 1 75 75 LEU HA H 75 4.456 4.456 4.265 0.191 19012 2615 1 6 . 1 1 75 75 LEU CA C 75 50.648 50.648 54.435 -3.787 19012 2616 1 6 . 1 1 75 75 LEU CB C 75 41.979 41.979 42.188 -0.209 19012 2617 1 6 . 1 1 75 75 LEU H H 75 9.467 9.467 8.983 0.484 19012 2618 1 6 . 1 1 76 76 ASP N N 76 123.675 123.675 125.548 -1.873 19012 2619 1 6 . 1 1 76 76 ASP HA H 76 5.041 5.041 4.539 0.502 19012 2620 1 6 . 1 1 76 76 ASP CA C 76 51.324 51.324 56.155 -4.831 19012 2621 1 6 . 1 1 76 76 ASP CB C 76 39.376 39.376 40.280 -0.904 19012 2622 1 6 . 1 1 76 76 ASP H H 76 7.825 7.825 8.685 -0.860 19012 2623 1 6 . 1 1 77 77 CYS N N 77 118.147 118.147 118.229 -0.082 19012 2624 1 6 . 1 1 77 77 CYS HA H 77 5.514 5.514 5.132 0.382 19012 2625 1 6 . 1 1 77 77 CYS CA C 77 53.205 53.205 55.640 -2.435 19012 2626 1 6 . 1 1 77 77 CYS CB C 77 30.347 30.347 32.133 -1.786 19012 2627 1 6 . 1 1 77 77 CYS H H 77 8.504 8.504 8.080 0.424 19012 2628 1 6 . 1 1 78 78 LYS N N 78 119.791 119.791 118.686 1.105 19012 2629 1 6 . 1 1 78 78 LYS HA H 78 4.398 4.398 4.641 -0.243 19012 2630 1 6 . 1 1 78 78 LYS CA C 78 52.033 52.033 54.698 -2.665 19012 2631 1 6 . 1 1 78 78 LYS CB C 78 33.618 33.618 35.284 -1.666 19012 2632 1 6 . 1 1 78 78 LYS H H 78 8.483 8.483 8.516 -0.033 19012 2633 1 6 . 1 1 79 79 ILE N N 79 122.179 122.179 120.444 1.735 19012 2634 1 6 . 1 1 79 79 ILE HA H 79 5.410 5.410 5.345 0.065 19012 2635 1 6 . 1 1 79 79 ILE CA C 79 56.581 56.581 59.292 -2.711 19012 2636 1 6 . 1 1 79 79 ILE CB C 79 41.302 41.302 41.928 -0.626 19012 2637 1 6 . 1 1 79 79 ILE H H 79 8.923 8.923 8.397 0.526 19012 2638 1 6 . 1 1 80 80 SER N N 80 122.640 122.640 121.147 1.493 19012 2639 1 6 . 1 1 80 80 SER HA H 80 4.760 4.760 5.167 -0.407 19012 2640 1 6 . 1 1 80 80 SER CB C 80 62.504 62.504 65.362 -2.858 19012 2641 1 6 . 1 1 80 80 SER H H 80 9.150 9.150 8.982 0.168 19012 2642 1 6 . 1 1 81 81 GLY N N 81 111.781 111.781 111.527 0.254 19012 2643 1 6 . 1 1 81 81 GLY CA C 81 44.910 44.910 45.862 -0.952 19012 2644 1 6 . 1 1 81 81 GLY H H 81 8.832 8.832 8.341 0.491 19012 2645 1 6 . 1 1 82 82 THR N N 82 110.902 110.902 113.631 -2.729 19012 2646 1 6 . 1 1 82 82 THR HA H 82 4.541 4.541 4.570 -0.029 19012 2647 1 6 . 1 1 82 82 THR CA C 82 58.833 58.833 61.028 -2.195 19012 2648 1 6 . 1 1 82 82 THR H H 82 8.284 8.284 8.140 0.144 19012 2649 1 6 . 1 1 83 83 THR N N 83 119.808 119.808 120.088 -0.280 19012 2650 1 6 . 1 1 83 83 THR HA H 83 5.576 5.576 5.483 0.093 19012 2651 1 6 . 1 1 83 83 THR CA C 83 59.711 59.711 62.406 -2.695 19012 2652 1 6 . 1 1 83 83 THR CB C 83 68.486 68.486 71.258 -2.772 19012 2653 1 6 . 1 1 83 83 THR H H 83 8.178 8.178 7.782 0.396 19012 2654 1 6 . 1 1 84 84 LEU N N 84 128.946 128.946 128.262 0.684 19012 2655 1 6 . 1 1 84 84 LEU HA H 84 4.787 4.787 4.946 -0.159 19012 2656 1 6 . 1 1 84 84 LEU CA C 84 50.979 50.979 53.253 -2.274 19012 2657 1 6 . 1 1 84 84 LEU CB C 84 43.114 43.114 44.489 -1.375 19012 2658 1 6 . 1 1 84 84 LEU H H 84 9.103 9.103 9.284 -0.181 19012 2659 1 6 . 1 1 85 85 LYS N N 85 129.439 129.439 128.025 1.414 19012 2660 1 6 . 1 1 85 85 LYS HA H 85 5.220 5.220 4.554 0.666 19012 2661 1 6 . 1 1 85 85 LYS CA C 85 52.028 52.028 54.852 -2.824 19012 2662 1 6 . 1 1 85 85 LYS CB C 85 32.656 32.656 33.892 -1.236 19012 2663 1 6 . 1 1 85 85 LYS H H 85 9.336 9.336 8.712 0.624 19012 2664 1 6 . 1 1 86 86 VAL N N 86 127.719 127.719 127.530 0.189 19012 2665 1 6 . 1 1 86 86 VAL HA H 86 4.279 4.279 4.116 0.163 19012 2666 1 6 . 1 1 86 86 VAL CA C 86 59.179 59.179 61.946 -2.767 19012 2667 1 6 . 1 1 86 86 VAL CB C 86 29.826 29.826 31.894 -2.068 19012 2668 1 6 . 1 1 86 86 VAL H H 86 9.122 9.122 8.307 0.815 19012 2669 1 6 . 1 1 87 87 GLU N N 87 126.504 126.504 126.221 0.283 19012 2670 1 6 . 1 1 87 87 GLU HA H 87 4.215 4.215 4.298 -0.083 19012 2671 1 6 . 1 1 87 87 GLU CA C 87 55.427 55.427 57.784 -2.357 19012 2672 1 6 . 1 1 87 87 GLU CB C 87 29.038 29.038 30.657 -1.619 19012 2673 1 6 . 1 1 87 87 GLU H H 87 8.960 8.960 8.934 0.026 19012 2674 1 6 . 1 1 88 88 THR N N 88 109.146 109.146 111.055 -1.909 19012 2675 1 6 . 1 1 88 88 THR HA H 88 4.560 4.560 4.391 0.169 19012 2676 1 6 . 1 1 88 88 THR CA C 88 57.802 57.802 61.476 -3.674 19012 2677 1 6 . 1 1 88 88 THR CB C 88 69.805 69.805 70.569 -0.764 19012 2678 1 6 . 1 1 88 88 THR H H 88 7.079 7.079 7.450 -0.371 19012 2679 1 6 . 1 1 89 89 GLY N N 89 102.665 102.665 112.101 -9.436 19012 2680 1 6 . 1 1 89 89 GLY CA C 89 42.083 42.083 44.478 -2.395 19012 2681 1 6 . 1 1 89 89 GLY H H 89 7.984 7.984 7.967 0.017 19012 2682 1 6 . 1 1 90 90 SER N N 90 118.973 118.973 115.628 3.345 19012 2683 1 6 . 1 1 90 90 SER HA H 90 4.103 4.103 4.163 -0.060 19012 2684 1 6 . 1 1 90 90 SER CA C 90 58.840 58.840 61.380 -2.541 19012 2685 1 6 . 1 1 90 90 SER CB C 90 60.079 60.079 63.353 -3.274 19012 2686 1 6 . 1 1 90 90 SER H H 90 8.854 8.854 8.814 0.040 19012 2687 1 6 . 1 1 91 91 GLU N N 91 120.699 120.699 118.397 2.302 19012 2688 1 6 . 1 1 91 91 GLU HA H 91 3.676 3.676 4.211 -0.535 19012 2689 1 6 . 1 1 91 91 GLU CA C 91 54.571 54.571 55.107 -0.536 19012 2690 1 6 . 1 1 91 91 GLU CB C 91 26.627 26.627 28.773 -2.146 19012 2691 1 6 . 1 1 91 91 GLU H H 91 10.220 10.220 8.150 2.070 19012 2692 1 6 . 1 1 92 92 ALA N N 92 121.411 121.411 122.913 -1.502 19012 2693 1 6 . 1 1 92 92 ALA HA H 92 3.691 3.691 4.192 -0.501 19012 2694 1 6 . 1 1 92 92 ALA CA C 92 50.916 50.916 53.054 -2.138 19012 2695 1 6 . 1 1 92 92 ALA CB C 92 16.118 16.118 18.487 -2.369 19012 2696 1 6 . 1 1 92 92 ALA H H 92 7.014 7.014 7.256 -0.242 19012 2697 1 6 . 1 1 93 93 GLY N N 93 109.056 109.056 111.457 -2.401 19012 2698 1 6 . 1 1 93 93 GLY CA C 93 42.601 42.601 45.686 -3.085 19012 2699 1 6 . 1 1 93 93 GLY H H 93 8.706 8.706 7.808 0.898 19012 2700 1 6 . 1 1 94 94 THR N N 94 117.255 117.255 117.186 0.069 19012 2701 1 6 . 1 1 94 94 THR HA H 94 4.831 4.831 4.951 -0.120 19012 2702 1 6 . 1 1 94 94 THR CA C 94 60.491 60.491 61.942 -1.451 19012 2703 1 6 . 1 1 94 94 THR CB C 94 66.403 66.403 69.787 -3.385 19012 2704 1 6 . 1 1 94 94 THR H H 94 8.637 8.637 8.208 0.429 19012 2705 1 6 . 1 1 95 95 TYR N N 95 127.051 127.051 126.413 0.638 19012 2706 1 6 . 1 1 95 95 TYR HA H 95 4.564 4.564 5.160 -0.596 19012 2707 1 6 . 1 1 95 95 TYR CA C 95 53.889 53.889 56.531 -2.642 19012 2708 1 6 . 1 1 95 95 TYR CB C 95 39.733 39.733 43.068 -3.334 19012 2709 1 6 . 1 1 95 95 TYR H H 95 10.060 10.060 9.309 0.751 19012 2710 1 6 . 1 1 96 96 LYS N N 96 119.487 119.487 120.910 -1.423 19012 2711 1 6 . 1 1 96 96 LYS HA H 96 5.668 5.668 5.624 0.044 19012 2712 1 6 . 1 1 96 96 LYS CA C 96 50.781 50.781 54.313 -3.532 19012 2713 1 6 . 1 1 96 96 LYS CB C 96 31.840 31.840 35.941 -4.101 19012 2714 1 6 . 1 1 96 96 LYS H H 96 8.960 8.960 9.372 -0.412 19012 2715 1 6 . 1 1 97 97 LYS N N 97 128.866 128.866 124.761 4.105 19012 2716 1 6 . 1 1 97 97 LYS HA H 97 3.701 3.701 3.721 -0.020 19012 2717 1 6 . 1 1 97 97 LYS CA C 97 55.022 55.022 57.230 -2.208 19012 2718 1 6 . 1 1 97 97 LYS CB C 97 30.744 30.744 32.472 -1.728 19012 2719 1 6 . 1 1 97 97 LYS H H 97 8.729 8.729 8.751 -0.022 19012 2720 1 6 . 1 1 98 98 GLN N N 98 127.056 127.056 125.818 1.238 19012 2721 1 6 . 1 1 98 98 GLN HA H 98 4.244 4.244 4.400 -0.156 19012 2722 1 6 . 1 1 98 98 GLN CA C 98 52.689 52.689 55.039 -2.350 19012 2723 1 6 . 1 1 98 98 GLN CB C 98 28.065 28.065 29.425 -1.360 19012 2724 1 6 . 1 1 98 98 GLN H H 98 8.992 8.992 8.429 0.563 19012 2725 1 7 . 1 1 2 2 GLU N N 2 119.968 119.968 122.453 -2.485 19012 2726 1 7 . 1 1 2 2 GLU HA H 2 4.009 4.009 4.297 -0.288 19012 2727 1 7 . 1 1 2 2 GLU CA C 2 53.190 53.190 56.059 -2.869 19012 2728 1 7 . 1 1 2 2 GLU CB C 2 27.574 27.574 30.677 -3.103 19012 2729 1 7 . 1 1 2 2 GLU H H 2 8.212 8.212 8.372 -0.160 19012 2730 1 7 . 1 1 3 3 ASP N N 3 122.057 122.057 123.922 -1.865 19012 2731 1 7 . 1 1 3 3 ASP HA H 3 4.509 4.509 4.840 -0.331 19012 2732 1 7 . 1 1 3 3 ASP CA C 3 50.691 50.691 53.454 -2.763 19012 2733 1 7 . 1 1 3 3 ASP CB C 3 38.121 38.121 41.328 -3.207 19012 2734 1 7 . 1 1 3 3 ASP H H 3 8.209 8.209 8.239 -0.030 19012 2735 1 7 . 1 1 4 4 TRP N N 4 121.397 121.397 122.553 -1.156 19012 2736 1 7 . 1 1 4 4 TRP HA H 4 4.749 4.749 5.016 -0.267 19012 2737 1 7 . 1 1 4 4 TRP CA C 4 53.792 53.792 56.169 -2.377 19012 2738 1 7 . 1 1 4 4 TRP CB C 4 27.994 27.994 31.422 -3.429 19012 2739 1 7 . 1 1 4 4 TRP H H 4 7.614 7.614 8.359 -0.745 19012 2740 1 7 . 1 1 5 5 THR N N 5 117.669 117.669 115.184 2.485 19012 2741 1 7 . 1 1 5 5 THR HA H 5 4.733 4.733 4.512 0.221 19012 2742 1 7 . 1 1 5 5 THR CA C 5 57.170 57.170 61.539 -4.369 19012 2743 1 7 . 1 1 5 5 THR CB C 5 68.444 68.444 69.723 -1.279 19012 2744 1 7 . 1 1 5 5 THR H H 5 9.387 9.387 9.047 0.340 19012 2745 1 7 . 1 1 6 6 GLU N N 6 121.359 121.359 120.489 0.870 19012 2746 1 7 . 1 1 6 6 GLU HA H 6 4.283 4.283 4.175 0.108 19012 2747 1 7 . 1 1 6 6 GLU CA C 6 53.743 53.743 57.342 -3.599 19012 2748 1 7 . 1 1 6 6 GLU CB C 6 28.184 28.184 29.691 -1.507 19012 2749 1 7 . 1 1 6 6 GLU H H 6 8.027 8.027 8.593 -0.566 19012 2750 1 7 . 1 1 7 7 LEU N N 7 126.701 126.701 125.634 1.067 19012 2751 1 7 . 1 1 7 7 LEU HA H 7 4.217 4.217 4.174 0.043 19012 2752 1 7 . 1 1 7 7 LEU CA C 7 52.720 52.720 56.224 -3.504 19012 2753 1 7 . 1 1 7 7 LEU CB C 7 40.595 40.595 42.380 -1.786 19012 2754 1 7 . 1 1 7 7 LEU H H 7 8.626 8.626 8.475 0.151 19012 2755 1 7 . 1 1 8 8 ASN N N 8 121.528 121.528 120.306 1.222 19012 2756 1 7 . 1 1 8 8 ASN HA H 8 4.611 4.611 4.980 -0.369 19012 2757 1 7 . 1 1 8 8 ASN CA C 8 49.652 49.652 52.245 -2.592 19012 2758 1 7 . 1 1 8 8 ASN CB C 8 38.102 38.102 42.054 -3.952 19012 2759 1 7 . 1 1 8 8 ASN H H 8 9.218 9.218 8.179 1.039 19012 2760 1 7 . 1 1 9 9 SER N N 9 109.319 109.319 116.959 -7.640 19012 2761 1 7 . 1 1 9 9 SER HA H 9 4.045 4.045 4.060 -0.015 19012 2762 1 7 . 1 1 9 9 SER CA C 9 58.381 58.381 62.512 -4.131 19012 2763 1 7 . 1 1 9 9 SER CB C 9 60.521 60.521 63.353 -2.832 19012 2764 1 7 . 1 1 9 9 SER H H 9 8.268 8.268 9.042 -0.774 19012 2765 1 7 . 1 1 10 10 ASN N N 10 117.403 117.403 115.242 2.161 19012 2766 1 7 . 1 1 10 10 ASN HA H 10 4.872 4.872 4.571 0.301 19012 2767 1 7 . 1 1 10 10 ASN CA C 10 52.508 52.508 55.137 -2.629 19012 2768 1 7 . 1 1 10 10 ASN CB C 10 37.905 37.905 38.089 -0.184 19012 2769 1 7 . 1 1 10 10 ASN H H 10 8.610 8.610 8.626 -0.016 19012 2770 1 7 . 1 1 11 11 ASN N N 11 119.053 119.053 117.274 1.779 19012 2771 1 7 . 1 1 11 11 ASN HA H 11 4.396 4.396 4.645 -0.249 19012 2772 1 7 . 1 1 11 11 ASN CA C 11 51.832 51.832 54.929 -3.097 19012 2773 1 7 . 1 1 11 11 ASN CB C 11 34.355 34.355 38.764 -4.409 19012 2774 1 7 . 1 1 11 11 ASN H H 11 8.614 8.614 7.631 0.983 19012 2775 1 7 . 1 1 12 12 ILE N N 12 117.943 117.943 121.155 -3.212 19012 2776 1 7 . 1 1 12 12 ILE HA H 12 4.185 4.185 4.141 0.044 19012 2777 1 7 . 1 1 12 12 ILE CA C 12 55.309 55.309 61.300 -5.991 19012 2778 1 7 . 1 1 12 12 ILE CB C 12 36.651 36.651 38.099 -1.448 19012 2779 1 7 . 1 1 12 12 ILE H H 12 7.041 7.041 7.608 -0.567 19012 2780 1 7 . 1 1 13 13 ILE N N 13 118.354 118.354 120.422 -2.068 19012 2781 1 7 . 1 1 13 13 ILE HA H 13 3.800 3.800 4.016 -0.216 19012 2782 1 7 . 1 1 13 13 ILE CA C 13 58.469 58.469 61.964 -3.495 19012 2783 1 7 . 1 1 13 13 ILE CB C 13 34.584 34.584 35.111 -0.527 19012 2784 1 7 . 1 1 13 13 ILE H H 13 6.635 6.635 7.501 -0.866 19012 2785 1 7 . 1 1 14 14 GLY N N 14 114.150 114.150 114.546 -0.396 19012 2786 1 7 . 1 1 14 14 GLY CA C 14 41.496 41.496 44.518 -3.022 19012 2787 1 7 . 1 1 14 14 GLY H H 14 8.842 8.842 8.494 0.348 19012 2788 1 7 . 1 1 15 15 TYR N N 15 119.014 119.014 120.164 -1.150 19012 2789 1 7 . 1 1 15 15 TYR HA H 15 4.961 4.961 4.945 0.016 19012 2790 1 7 . 1 1 15 15 TYR CA C 15 54.499 54.499 57.110 -2.611 19012 2791 1 7 . 1 1 15 15 TYR CB C 15 38.075 38.075 39.388 -1.313 19012 2792 1 7 . 1 1 15 15 TYR H H 15 8.264 8.264 8.487 -0.223 19012 2793 1 7 . 1 1 16 16 TRP N N 16 124.101 124.101 122.885 1.216 19012 2794 1 7 . 1 1 16 16 TRP HA H 16 5.175 5.175 5.373 -0.198 19012 2795 1 7 . 1 1 16 16 TRP CA C 16 52.970 52.970 56.447 -3.477 19012 2796 1 7 . 1 1 16 16 TRP CB C 16 28.341 28.341 32.163 -3.822 19012 2797 1 7 . 1 1 16 16 TRP H H 16 9.497 9.497 9.280 0.217 19012 2798 1 7 . 1 1 17 17 SER N N 17 115.863 115.863 117.541 -1.678 19012 2799 1 7 . 1 1 17 17 SER HA H 17 6.272 6.272 5.693 0.579 19012 2800 1 7 . 1 1 17 17 SER CA C 17 53.039 53.039 56.236 -3.197 19012 2801 1 7 . 1 1 17 17 SER CB C 17 63.415 63.415 65.430 -2.015 19012 2802 1 7 . 1 1 17 17 SER H H 17 9.182 9.182 9.350 -0.168 19012 2803 1 7 . 1 1 18 18 THR N N 18 119.520 119.520 116.185 3.335 19012 2804 1 7 . 1 1 18 18 THR CB C 18 67.199 67.199 69.414 -2.215 19012 2805 1 7 . 1 1 18 18 THR H H 18 8.996 8.996 8.713 0.283 19012 2806 1 7 . 1 1 19 19 GLY N N 19 110.006 110.006 110.176 -0.170 19012 2807 1 7 . 1 1 19 19 GLY CA C 19 42.615 42.615 45.089 -2.474 19012 2808 1 7 . 1 1 19 19 GLY H H 19 8.206 8.206 7.523 0.683 19012 2809 1 7 . 1 1 20 20 ILE N N 20 111.313 111.313 112.151 -0.838 19012 2810 1 7 . 1 1 20 20 ILE HA H 20 3.519 3.519 3.450 0.069 19012 2811 1 7 . 1 1 20 20 ILE CA C 20 57.765 57.765 60.578 -2.813 19012 2812 1 7 . 1 1 20 20 ILE CB C 20 37.839 37.839 39.151 -1.312 19012 2813 1 7 . 1 1 20 20 ILE H H 20 7.953 7.953 8.144 -0.191 19012 2814 1 7 . 1 1 21 21 GLU N N 21 119.547 119.547 120.037 -0.490 19012 2815 1 7 . 1 1 21 21 GLU HA H 21 4.463 4.463 4.631 -0.168 19012 2816 1 7 . 1 1 21 21 GLU CA C 21 52.227 52.227 55.002 -2.775 19012 2817 1 7 . 1 1 21 21 GLU CB C 21 29.468 29.468 31.661 -2.193 19012 2818 1 7 . 1 1 21 21 GLU H H 21 7.514 7.514 7.356 0.158 19012 2819 1 7 . 1 1 22 22 GLY N N 22 109.534 109.534 109.272 0.262 19012 2820 1 7 . 1 1 22 22 GLY CA C 22 43.582 43.582 47.389 -3.807 19012 2821 1 7 . 1 1 22 22 GLY H H 22 8.457 8.457 8.702 -0.245 19012 2822 1 7 . 1 1 23 23 THR N N 23 124.632 124.632 117.582 7.050 19012 2823 1 7 . 1 1 23 23 THR HA H 23 5.271 5.271 4.905 0.366 19012 2824 1 7 . 1 1 23 23 THR CA C 23 60.060 60.060 61.606 -1.546 19012 2825 1 7 . 1 1 23 23 THR CB C 23 65.680 65.680 70.655 -4.975 19012 2826 1 7 . 1 1 23 23 THR H H 23 8.881 8.881 7.941 0.940 19012 2827 1 7 . 1 1 24 24 HIS N N 24 122.881 122.881 121.709 1.172 19012 2828 1 7 . 1 1 24 24 HIS HA H 24 4.780 4.780 5.079 -0.299 19012 2829 1 7 . 1 1 24 24 HIS CA C 24 50.970 50.970 54.074 -3.104 19012 2830 1 7 . 1 1 24 24 HIS CB C 24 27.898 27.898 32.492 -4.594 19012 2831 1 7 . 1 1 24 24 HIS H H 24 8.919 8.919 7.769 1.150 19012 2832 1 7 . 1 1 25 25 LYS N N 25 119.738 119.738 118.294 1.444 19012 2833 1 7 . 1 1 25 25 LYS HA H 25 5.437 5.437 5.193 0.244 19012 2834 1 7 . 1 1 25 25 LYS CA C 25 52.650 52.650 55.655 -3.005 19012 2835 1 7 . 1 1 25 25 LYS CB C 25 33.277 33.277 36.671 -3.394 19012 2836 1 7 . 1 1 25 25 LYS H H 25 8.816 8.816 8.900 -0.084 19012 2837 1 7 . 1 1 26 26 LEU N N 26 126.017 126.017 122.188 3.829 19012 2838 1 7 . 1 1 26 26 LEU HA H 26 5.825 5.825 5.673 0.152 19012 2839 1 7 . 1 1 26 26 LEU CA C 26 51.614 51.614 53.087 -1.472 19012 2840 1 7 . 1 1 26 26 LEU CB C 26 44.544 44.544 46.379 -1.835 19012 2841 1 7 . 1 1 26 26 LEU H H 26 9.420 9.420 8.952 0.468 19012 2842 1 7 . 1 1 27 27 LEU N N 27 128.825 128.825 123.145 5.680 19012 2843 1 7 . 1 1 27 27 LEU HA H 27 5.417 5.417 5.349 0.068 19012 2844 1 7 . 1 1 27 27 LEU CA C 27 50.740 50.740 54.030 -3.290 19012 2845 1 7 . 1 1 27 27 LEU CB C 27 44.569 44.569 46.910 -2.341 19012 2846 1 7 . 1 1 27 27 LEU H H 27 9.475 9.475 8.926 0.549 19012 2847 1 7 . 1 1 28 28 SER N N 28 117.701 117.701 113.735 3.966 19012 2848 1 7 . 1 1 28 28 SER HA H 28 5.337 5.337 5.728 -0.391 19012 2849 1 7 . 1 1 28 28 SER CA C 28 53.530 53.530 56.942 -3.412 19012 2850 1 7 . 1 1 28 28 SER CB C 28 63.368 63.368 66.832 -3.464 19012 2851 1 7 . 1 1 28 28 SER H H 28 8.859 8.859 8.852 0.007 19012 2852 1 7 . 1 1 29 29 PHE N N 29 117.319 117.319 119.300 -1.981 19012 2853 1 7 . 1 1 29 29 PHE HA H 29 4.679 4.679 4.935 -0.256 19012 2854 1 7 . 1 1 29 29 PHE CA C 29 54.565 54.565 57.861 -3.296 19012 2855 1 7 . 1 1 29 29 PHE CB C 29 39.104 39.104 43.165 -4.061 19012 2856 1 7 . 1 1 29 29 PHE H H 29 8.401 8.401 8.535 -0.134 19012 2857 1 7 . 1 1 30 30 ASP N N 30 123.741 123.741 124.725 -0.984 19012 2858 1 7 . 1 1 30 30 ASP HA H 30 5.217 5.217 5.015 0.202 19012 2859 1 7 . 1 1 30 30 ASP CA C 30 50.408 50.408 52.803 -2.395 19012 2860 1 7 . 1 1 30 30 ASP CB C 30 41.148 41.148 43.260 -2.112 19012 2861 1 7 . 1 1 30 30 ASP H H 30 9.573 9.573 8.141 1.432 19012 2862 1 7 . 1 1 31 31 GLU N N 31 127.123 127.123 118.232 8.891 19012 2863 1 7 . 1 1 31 31 GLU HA H 31 4.127 4.127 4.268 -0.141 19012 2864 1 7 . 1 1 31 31 GLU CA C 31 56.324 56.324 57.723 -1.399 19012 2865 1 7 . 1 1 31 31 GLU CB C 31 27.283 27.283 30.498 -3.215 19012 2866 1 7 . 1 1 31 31 GLU H H 31 9.718 9.718 8.476 1.242 19012 2867 1 7 . 1 1 32 32 ASP N N 32 119.011 119.011 118.454 0.557 19012 2868 1 7 . 1 1 32 32 ASP HA H 32 4.443 4.443 4.781 -0.338 19012 2869 1 7 . 1 1 32 32 ASP CA C 32 50.919 50.919 53.834 -2.915 19012 2870 1 7 . 1 1 32 32 ASP CB C 32 37.344 37.344 41.466 -4.122 19012 2871 1 7 . 1 1 32 32 ASP H H 32 8.911 8.911 8.131 0.780 19012 2872 1 7 . 1 1 33 33 GLY N N 33 106.215 106.215 108.629 -2.414 19012 2873 1 7 . 1 1 33 33 GLY CA C 33 43.879 43.879 44.864 -0.985 19012 2874 1 7 . 1 1 33 33 GLY H H 33 7.781 7.781 8.159 -0.378 19012 2875 1 7 . 1 1 34 34 THR N N 34 111.570 111.570 111.906 -0.336 19012 2876 1 7 . 1 1 34 34 THR HA H 34 5.474 5.474 4.581 0.893 19012 2877 1 7 . 1 1 34 34 THR CA C 34 57.389 57.389 60.390 -3.001 19012 2878 1 7 . 1 1 34 34 THR CB C 34 69.991 69.991 71.785 -1.794 19012 2879 1 7 . 1 1 34 34 THR H H 34 7.863 7.863 7.555 0.308 19012 2880 1 7 . 1 1 35 35 GLY N N 35 106.781 106.781 107.655 -0.874 19012 2881 1 7 . 1 1 35 35 GLY CA C 35 43.233 43.233 43.373 -0.140 19012 2882 1 7 . 1 1 35 35 GLY H H 35 8.235 8.235 8.193 0.042 19012 2883 1 7 . 1 1 36 36 SER N N 36 113.807 113.807 113.091 0.716 19012 2884 1 7 . 1 1 36 36 SER HA H 36 4.659 4.659 5.113 -0.454 19012 2885 1 7 . 1 1 36 36 SER CA C 36 54.509 54.509 57.723 -3.214 19012 2886 1 7 . 1 1 36 36 SER CB C 36 64.821 64.821 67.565 -2.744 19012 2887 1 7 . 1 1 36 36 SER H H 36 8.182 8.182 8.517 -0.335 19012 2888 1 7 . 1 1 37 37 PHE N N 37 120.041 120.041 123.054 -3.013 19012 2889 1 7 . 1 1 37 37 PHE HA H 37 5.885 5.885 5.382 0.503 19012 2890 1 7 . 1 1 37 37 PHE CA C 37 52.308 52.308 56.130 -3.822 19012 2891 1 7 . 1 1 37 37 PHE CB C 37 41.174 41.174 43.327 -2.153 19012 2892 1 7 . 1 1 37 37 PHE H H 37 8.829 8.829 9.019 -0.190 19012 2893 1 7 . 1 1 38 38 GLY N N 38 115.263 115.263 113.524 1.739 19012 2894 1 7 . 1 1 38 38 GLY CA C 38 42.092 42.092 43.316 -1.224 19012 2895 1 7 . 1 1 38 38 GLY H H 38 8.936 8.936 9.479 -0.543 19012 2896 1 7 . 1 1 39 39 ILE N N 39 119.791 119.791 119.974 -0.183 19012 2897 1 7 . 1 1 39 39 ILE HA H 39 4.292 4.292 4.583 -0.291 19012 2898 1 7 . 1 1 39 39 ILE CA C 39 58.280 58.280 60.341 -2.061 19012 2899 1 7 . 1 1 39 39 ILE CB C 39 36.838 36.838 41.800 -4.962 19012 2900 1 7 . 1 1 39 39 ILE H H 39 7.724 7.724 7.439 0.285 19012 2901 1 7 . 1 1 40 40 TYR N N 40 125.748 125.748 123.853 1.895 19012 2902 1 7 . 1 1 40 40 TYR HA H 40 4.742 4.742 5.249 -0.507 19012 2903 1 7 . 1 1 40 40 TYR CA C 40 53.881 53.881 56.085 -2.204 19012 2904 1 7 . 1 1 40 40 TYR CB C 40 39.894 39.894 42.461 -2.567 19012 2905 1 7 . 1 1 40 40 TYR H H 40 8.782 8.782 9.169 -0.387 19012 2906 1 7 . 1 1 41 41 SER N N 41 114.721 114.721 116.786 -2.065 19012 2907 1 7 . 1 1 41 41 SER HA H 41 4.689 4.689 5.058 -0.369 19012 2908 1 7 . 1 1 41 41 SER CA C 41 53.337 53.337 57.219 -3.882 19012 2909 1 7 . 1 1 41 41 SER CB C 41 60.205 60.205 64.530 -4.325 19012 2910 1 7 . 1 1 41 41 SER H H 41 8.708 8.708 8.850 -0.142 19012 2911 1 7 . 1 1 42 42 ASN N N 42 124.063 124.063 126.386 -2.323 19012 2912 1 7 . 1 1 42 42 ASN HA H 42 4.298 4.298 4.339 -0.041 19012 2913 1 7 . 1 1 42 42 ASN CA C 42 54.083 54.083 57.020 -2.937 19012 2914 1 7 . 1 1 42 42 ASN CB C 42 34.720 34.720 38.295 -3.575 19012 2915 1 7 . 1 1 42 42 ASN H H 42 9.239 9.239 9.306 -0.067 19012 2916 1 7 . 1 1 43 43 ALA N N 43 125.505 125.505 121.246 4.259 19012 2917 1 7 . 1 1 43 43 ALA HA H 43 4.576 4.576 4.764 -0.188 19012 2918 1 7 . 1 1 43 43 ALA CA C 43 50.170 50.170 51.954 -1.784 19012 2919 1 7 . 1 1 43 43 ALA CB C 43 16.678 16.678 20.669 -3.991 19012 2920 1 7 . 1 1 43 43 ALA H H 43 8.468 8.468 8.053 0.415 19012 2921 1 7 . 1 1 44 44 THR N N 44 119.056 119.056 117.071 1.985 19012 2922 1 7 . 1 1 44 44 THR HA H 44 4.550 4.550 4.871 -0.321 19012 2923 1 7 . 1 1 44 44 THR CA C 44 58.028 58.028 59.974 -1.946 19012 2924 1 7 . 1 1 44 44 THR CB C 44 68.176 68.176 70.605 -2.429 19012 2925 1 7 . 1 1 44 44 THR H H 44 8.420 8.420 8.181 0.239 19012 2926 1 7 . 1 1 45 45 PRO HA H 45 3.797 3.797 4.215 -0.418 19012 2927 1 7 . 1 1 45 45 PRO CA C 45 60.280 60.280 62.978 -2.698 19012 2928 1 7 . 1 1 45 45 PRO CB C 45 28.488 28.488 32.138 -3.650 19012 2929 1 7 . 1 1 46 46 ILE N N 46 124.607 124.607 121.359 3.248 19012 2930 1 7 . 1 1 46 46 ILE HA H 46 4.023 4.023 4.315 -0.292 19012 2931 1 7 . 1 1 46 46 ILE CA C 46 58.609 58.609 60.912 -2.303 19012 2932 1 7 . 1 1 46 46 ILE CB C 46 35.652 35.652 38.819 -3.167 19012 2933 1 7 . 1 1 46 46 ILE H H 46 8.998 8.998 8.583 0.415 19012 2934 1 7 . 1 1 47 47 SER N N 47 112.826 112.826 115.819 -2.993 19012 2935 1 7 . 1 1 47 47 SER HA H 47 4.474 4.474 4.671 -0.197 19012 2936 1 7 . 1 1 47 47 SER CA C 47 54.926 54.926 57.648 -2.722 19012 2937 1 7 . 1 1 47 47 SER CB C 47 62.419 62.419 64.959 -2.540 19012 2938 1 7 . 1 1 47 47 SER H H 47 7.439 7.439 7.401 0.038 19012 2939 1 7 . 1 1 48 48 PHE N N 48 123.266 123.266 121.445 1.821 19012 2940 1 7 . 1 1 48 48 PHE HA H 48 5.194 5.194 5.117 0.077 19012 2941 1 7 . 1 1 48 48 PHE CA C 48 55.624 55.624 58.048 -2.424 19012 2942 1 7 . 1 1 48 48 PHE CB C 48 40.000 40.000 41.533 -1.533 19012 2943 1 7 . 1 1 48 48 PHE H H 48 8.238 8.238 8.333 -0.095 19012 2944 1 7 . 1 1 49 49 GLN N N 49 123.564 123.564 123.194 0.370 19012 2945 1 7 . 1 1 49 49 GLN HA H 49 4.935 4.935 4.176 0.759 19012 2946 1 7 . 1 1 49 49 GLN CA C 49 51.294 51.294 54.508 -3.214 19012 2947 1 7 . 1 1 49 49 GLN CB C 49 29.688 29.688 32.374 -2.686 19012 2948 1 7 . 1 1 49 49 GLN H H 49 8.607 8.607 8.381 0.226 19012 2949 1 7 . 1 1 50 50 MET N N 50 120.626 120.626 118.349 2.277 19012 2950 1 7 . 1 1 50 50 MET HA H 50 4.637 4.637 4.805 -0.168 19012 2951 1 7 . 1 1 50 50 MET CA C 50 51.562 51.562 54.952 -3.390 19012 2952 1 7 . 1 1 50 50 MET CB C 50 33.549 33.549 37.899 -4.350 19012 2953 1 7 . 1 1 50 50 MET H H 50 9.071 9.071 8.257 0.814 19012 2954 1 7 . 1 1 51 51 PHE N N 51 112.996 112.996 114.586 -1.590 19012 2955 1 7 . 1 1 51 51 PHE HA H 51 4.928 4.928 5.115 -0.187 19012 2956 1 7 . 1 1 51 51 PHE CA C 51 53.899 53.899 56.270 -2.371 19012 2957 1 7 . 1 1 51 51 PHE CB C 51 38.018 38.018 40.826 -2.808 19012 2958 1 7 . 1 1 52 52 ASP N N 52 118.727 118.727 119.632 -0.905 19012 2959 1 7 . 1 1 52 52 ASP HA H 52 5.640 5.640 4.562 1.078 19012 2960 1 7 . 1 1 52 52 ASP CA C 52 50.264 50.264 51.849 -1.585 19012 2961 1 7 . 1 1 52 52 ASP CB C 52 38.971 38.971 44.159 -5.188 19012 2962 1 7 . 1 1 52 52 ASP H H 52 8.469 8.469 7.947 0.522 19012 2963 1 7 . 1 1 53 53 TYR N N 53 115.709 115.709 115.093 0.616 19012 2964 1 7 . 1 1 53 53 TYR HA H 53 6.351 6.351 5.596 0.755 19012 2965 1 7 . 1 1 53 53 TYR CA C 53 53.296 53.296 56.299 -3.003 19012 2966 1 7 . 1 1 53 53 TYR CB C 53 40.764 40.764 42.759 -1.995 19012 2967 1 7 . 1 1 53 53 TYR H H 53 8.725 8.725 8.181 0.544 19012 2968 1 7 . 1 1 54 54 LYS N N 54 118.766 118.766 120.826 -2.060 19012 2969 1 7 . 1 1 54 54 LYS HA H 54 4.445 4.445 4.835 -0.390 19012 2970 1 7 . 1 1 54 54 LYS CA C 54 52.187 52.187 55.060 -2.873 19012 2971 1 7 . 1 1 54 54 LYS CB C 54 34.819 34.819 35.627 -0.808 19012 2972 1 7 . 1 1 54 54 LYS H H 54 8.972 8.972 8.970 0.002 19012 2973 1 7 . 1 1 55 55 ILE N N 55 122.406 122.406 126.315 -3.909 19012 2974 1 7 . 1 1 55 55 ILE HA H 55 4.796 4.796 4.844 -0.048 19012 2975 1 7 . 1 1 55 55 ILE CA C 55 56.172 56.172 59.348 -3.176 19012 2976 1 7 . 1 1 55 55 ILE CB C 55 33.404 33.404 36.189 -2.785 19012 2977 1 7 . 1 1 55 55 ILE H H 55 8.832 8.832 8.773 0.059 19012 2978 1 7 . 1 1 56 56 GLU N N 56 128.507 128.507 126.000 2.507 19012 2979 1 7 . 1 1 56 56 GLU HA H 56 4.575 4.575 4.510 0.065 19012 2980 1 7 . 1 1 56 56 GLU CA C 56 52.300 52.300 56.023 -3.723 19012 2981 1 7 . 1 1 56 56 GLU CB C 56 30.432 30.432 30.853 -0.421 19012 2982 1 7 . 1 1 56 56 GLU H H 56 8.787 8.787 8.683 0.104 19012 2983 1 7 . 1 1 57 57 GLU N N 57 125.606 125.606 118.413 7.193 19012 2984 1 7 . 1 1 57 57 GLU HA H 57 3.809 3.809 4.491 -0.682 19012 2985 1 7 . 1 1 57 57 GLU CA C 57 54.254 54.254 56.750 -2.496 19012 2986 1 7 . 1 1 57 57 GLU CB C 57 25.445 25.445 30.705 -5.260 19012 2987 1 7 . 1 1 57 57 GLU H H 57 9.296 9.296 8.530 0.766 19012 2988 1 7 . 1 1 58 58 GLY N N 58 103.913 103.913 107.798 -3.885 19012 2989 1 7 . 1 1 58 58 GLY CA C 58 43.401 43.401 45.579 -2.178 19012 2990 1 7 . 1 1 58 58 GLY H H 58 8.267 8.267 8.609 -0.342 19012 2991 1 7 . 1 1 59 59 ARG N N 59 119.125 119.125 117.683 1.442 19012 2992 1 7 . 1 1 59 59 ARG HA H 59 4.787 4.787 4.677 0.110 19012 2993 1 7 . 1 1 59 59 ARG CA C 59 51.812 51.812 54.190 -2.378 19012 2994 1 7 . 1 1 59 59 ARG CB C 59 32.023 32.023 34.246 -2.223 19012 2995 1 7 . 1 1 59 59 ARG H H 59 7.840 7.840 7.560 0.280 19012 2996 1 7 . 1 1 60 60 ILE N N 60 118.464 118.464 120.988 -2.524 19012 2997 1 7 . 1 1 60 60 ILE HA H 60 4.409 4.409 4.590 -0.181 19012 2998 1 7 . 1 1 60 60 ILE CA C 60 58.461 58.461 60.755 -2.294 19012 2999 1 7 . 1 1 60 60 ILE CB C 60 36.943 36.943 39.014 -2.071 19012 3000 1 7 . 1 1 60 60 ILE H H 60 8.150 8.150 8.726 -0.576 19012 3001 1 7 . 1 1 61 61 TYR N N 61 130.267 130.267 130.513 -0.246 19012 3002 1 7 . 1 1 61 61 TYR HA H 61 4.399 4.399 4.663 -0.264 19012 3003 1 7 . 1 1 61 61 TYR CA C 61 53.435 53.435 57.479 -4.044 19012 3004 1 7 . 1 1 61 61 TYR CB C 61 37.443 37.443 39.487 -2.044 19012 3005 1 7 . 1 1 61 61 TYR H H 61 9.304 9.304 9.058 0.246 19012 3006 1 7 . 1 1 62 62 ILE N N 62 129.152 129.152 126.660 2.492 19012 3007 1 7 . 1 1 62 62 ILE HA H 62 4.035 4.035 4.316 -0.281 19012 3008 1 7 . 1 1 62 62 ILE CA C 62 55.538 55.538 58.408 -2.870 19012 3009 1 7 . 1 1 62 62 ILE CB C 62 33.654 33.654 38.381 -4.727 19012 3010 1 7 . 1 1 62 62 ILE H H 62 8.326 8.326 7.996 0.330 19012 3011 1 7 . 1 1 63 63 TYR N N 63 119.836 119.836 119.630 0.206 19012 3012 1 7 . 1 1 63 63 TYR HA H 63 4.563 4.563 4.623 -0.060 19012 3013 1 7 . 1 1 63 63 TYR CA C 63 52.035 52.035 56.948 -4.913 19012 3014 1 7 . 1 1 63 63 TYR CB C 63 36.267 36.267 40.349 -4.082 19012 3015 1 7 . 1 1 63 63 TYR H H 63 8.397 8.397 8.425 -0.028 19012 3016 1 7 . 1 1 64 64 ASP N N 64 117.747 117.747 122.299 -4.552 19012 3017 1 7 . 1 1 64 64 ASP HA H 64 4.270 4.270 4.747 -0.477 19012 3018 1 7 . 1 1 64 64 ASP CA C 64 51.384 51.384 53.566 -2.183 19012 3019 1 7 . 1 1 64 64 ASP CB C 64 35.510 35.510 41.703 -6.193 19012 3020 1 7 . 1 1 64 64 ASP H H 64 8.570 8.570 7.846 0.724 19012 3021 1 7 . 1 1 65 65 VAL N N 65 117.619 117.619 123.600 -5.981 19012 3022 1 7 . 1 1 65 65 VAL HA H 65 4.329 4.329 4.792 -0.463 19012 3023 1 7 . 1 1 65 65 VAL CA C 65 61.015 61.015 60.349 0.666 19012 3024 1 7 . 1 1 65 65 VAL CB C 65 29.350 29.350 34.426 -5.076 19012 3025 1 7 . 1 1 65 65 VAL H H 65 8.116 8.116 8.288 -0.172 19012 3026 1 7 . 1 1 66 66 TYR N N 66 127.317 127.317 125.392 1.925 19012 3027 1 7 . 1 1 66 66 TYR HA H 66 4.567 4.567 4.960 -0.393 19012 3028 1 7 . 1 1 66 66 TYR CA C 66 53.116 53.116 55.879 -2.763 19012 3029 1 7 . 1 1 66 66 TYR CB C 66 39.090 39.090 40.776 -1.685 19012 3030 1 7 . 1 1 66 66 TYR H H 66 8.911 8.911 8.636 0.275 19012 3031 1 7 . 1 1 67 67 PRO HA H 67 3.778 3.778 4.332 -0.554 19012 3032 1 7 . 1 1 67 67 PRO CA C 67 60.736 60.736 63.371 -2.635 19012 3033 1 7 . 1 1 67 67 PRO CB C 67 32.039 32.039 31.820 0.219 19012 3034 1 7 . 1 1 68 68 ASP N N 68 122.446 122.446 121.330 1.116 19012 3035 1 7 . 1 1 68 68 ASP HA H 68 4.595 4.595 4.690 -0.095 19012 3036 1 7 . 1 1 68 68 ASP CA C 68 51.405 51.405 53.115 -1.710 19012 3037 1 7 . 1 1 68 68 ASP CB C 68 37.732 37.732 41.308 -3.576 19012 3038 1 7 . 1 1 68 68 ASP H H 68 8.017 8.017 7.987 0.030 19012 3039 1 7 . 1 1 69 69 GLU N N 69 121.842 121.842 122.782 -0.940 19012 3040 1 7 . 1 1 69 69 GLU HA H 69 4.167 4.167 4.270 -0.103 19012 3041 1 7 . 1 1 69 69 GLU CA C 69 54.191 54.191 56.098 -1.907 19012 3042 1 7 . 1 1 69 69 GLU CB C 69 27.200 27.200 30.593 -3.393 19012 3043 1 7 . 1 1 69 69 GLU H H 69 8.109 8.109 8.502 -0.393 19012 3044 1 7 . 1 1 70 70 LYS N N 70 121.975 121.975 122.027 -0.052 19012 3045 1 7 . 1 1 70 70 LYS HA H 70 4.532 4.532 4.440 0.092 19012 3046 1 7 . 1 1 70 70 LYS CA C 70 52.097 52.097 55.001 -2.904 19012 3047 1 7 . 1 1 70 70 LYS CB C 70 33.247 33.247 34.361 -1.114 19012 3048 1 7 . 1 1 70 70 LYS H H 70 7.646 7.646 8.222 -0.576 19012 3049 1 7 . 1 1 71 71 THR N N 71 120.177 120.177 116.207 3.970 19012 3050 1 7 . 1 1 71 71 THR HA H 71 4.386 4.386 4.397 -0.011 19012 3051 1 7 . 1 1 71 71 THR CA C 71 58.759 58.759 59.726 -0.967 19012 3052 1 7 . 1 1 71 71 THR CB C 71 66.724 66.724 69.371 -2.647 19012 3053 1 7 . 1 1 71 71 THR H H 71 8.258 8.258 8.318 -0.060 19012 3054 1 7 . 1 1 72 72 PRO HA H 72 4.389 4.389 4.147 0.242 19012 3055 1 7 . 1 1 72 72 PRO CA C 72 61.688 61.688 62.772 -1.084 19012 3056 1 7 . 1 1 72 72 PRO CB C 72 31.440 31.440 32.167 -0.727 19012 3057 1 7 . 1 1 73 73 TYR N N 73 118.747 118.747 117.739 1.008 19012 3058 1 7 . 1 1 73 73 TYR HA H 73 4.857 4.857 4.686 0.171 19012 3059 1 7 . 1 1 73 73 TYR CA C 73 52.643 52.643 55.757 -3.114 19012 3060 1 7 . 1 1 73 73 TYR CB C 73 37.470 37.470 39.469 -1.999 19012 3061 1 7 . 1 1 73 73 TYR H H 73 7.988 7.988 7.102 0.886 19012 3062 1 7 . 1 1 74 74 TYR N N 74 114.692 114.692 120.694 -6.002 19012 3063 1 7 . 1 1 74 74 TYR HA H 74 5.548 5.548 5.046 0.502 19012 3064 1 7 . 1 1 74 74 TYR CA C 74 53.855 53.855 57.907 -4.052 19012 3065 1 7 . 1 1 74 74 TYR CB C 74 39.316 39.316 38.914 0.402 19012 3066 1 7 . 1 1 74 74 TYR H H 74 8.370 8.370 8.604 -0.234 19012 3067 1 7 . 1 1 75 75 LEU N N 75 120.717 120.717 126.505 -5.788 19012 3068 1 7 . 1 1 75 75 LEU HA H 75 4.456 4.456 4.581 -0.125 19012 3069 1 7 . 1 1 75 75 LEU CA C 75 50.648 50.648 54.114 -3.466 19012 3070 1 7 . 1 1 75 75 LEU CB C 75 41.979 41.979 43.440 -1.461 19012 3071 1 7 . 1 1 75 75 LEU H H 75 9.467 9.467 9.072 0.395 19012 3072 1 7 . 1 1 76 76 ASP N N 76 123.675 123.675 124.052 -0.377 19012 3073 1 7 . 1 1 76 76 ASP HA H 76 5.041 5.041 4.786 0.255 19012 3074 1 7 . 1 1 76 76 ASP CA C 76 51.324 51.324 54.568 -3.244 19012 3075 1 7 . 1 1 76 76 ASP CB C 76 39.376 39.376 41.017 -1.641 19012 3076 1 7 . 1 1 76 76 ASP H H 76 7.825 7.825 8.782 -0.957 19012 3077 1 7 . 1 1 77 77 CYS N N 77 118.147 118.147 119.464 -1.317 19012 3078 1 7 . 1 1 77 77 CYS HA H 77 5.514 5.514 5.373 0.141 19012 3079 1 7 . 1 1 77 77 CYS CA C 77 53.205 53.205 55.622 -2.417 19012 3080 1 7 . 1 1 77 77 CYS CB C 77 30.347 30.347 32.113 -1.766 19012 3081 1 7 . 1 1 77 77 CYS H H 77 8.504 8.504 8.531 -0.027 19012 3082 1 7 . 1 1 78 78 LYS N N 78 119.791 119.791 117.527 2.264 19012 3083 1 7 . 1 1 78 78 LYS HA H 78 4.398 4.398 4.480 -0.082 19012 3084 1 7 . 1 1 78 78 LYS CA C 78 52.033 52.033 54.651 -2.618 19012 3085 1 7 . 1 1 78 78 LYS CB C 78 33.618 33.618 35.824 -2.206 19012 3086 1 7 . 1 1 78 78 LYS H H 78 8.483 8.483 8.338 0.145 19012 3087 1 7 . 1 1 79 79 ILE N N 79 122.179 122.179 118.543 3.636 19012 3088 1 7 . 1 1 79 79 ILE HA H 79 5.410 5.410 4.757 0.653 19012 3089 1 7 . 1 1 79 79 ILE CA C 79 56.581 56.581 59.142 -2.561 19012 3090 1 7 . 1 1 79 79 ILE CB C 79 41.302 41.302 41.699 -0.397 19012 3091 1 7 . 1 1 79 79 ILE H H 79 8.923 8.923 8.514 0.409 19012 3092 1 7 . 1 1 80 80 SER N N 80 122.640 122.640 119.583 3.057 19012 3093 1 7 . 1 1 80 80 SER HA H 80 4.760 4.760 4.966 -0.206 19012 3094 1 7 . 1 1 80 80 SER CB C 80 62.504 62.504 64.661 -2.157 19012 3095 1 7 . 1 1 80 80 SER H H 80 9.150 9.150 9.413 -0.263 19012 3096 1 7 . 1 1 81 81 GLY N N 81 111.781 111.781 107.992 3.789 19012 3097 1 7 . 1 1 81 81 GLY CA C 81 44.910 44.910 46.278 -1.368 19012 3098 1 7 . 1 1 81 81 GLY H H 81 8.832 8.832 8.510 0.322 19012 3099 1 7 . 1 1 82 82 THR N N 82 110.902 110.902 111.226 -0.324 19012 3100 1 7 . 1 1 82 82 THR HA H 82 4.541 4.541 4.533 0.008 19012 3101 1 7 . 1 1 82 82 THR CA C 82 58.833 58.833 62.308 -3.475 19012 3102 1 7 . 1 1 82 82 THR H H 82 8.284 8.284 8.062 0.222 19012 3103 1 7 . 1 1 83 83 THR N N 83 119.808 119.808 119.801 0.007 19012 3104 1 7 . 1 1 83 83 THR HA H 83 5.576 5.576 5.171 0.405 19012 3105 1 7 . 1 1 83 83 THR CA C 83 59.711 59.711 61.853 -2.142 19012 3106 1 7 . 1 1 83 83 THR CB C 83 68.486 68.486 70.392 -1.906 19012 3107 1 7 . 1 1 83 83 THR H H 83 8.178 8.178 8.013 0.165 19012 3108 1 7 . 1 1 84 84 LEU N N 84 128.946 128.946 129.049 -0.103 19012 3109 1 7 . 1 1 84 84 LEU HA H 84 4.787 4.787 4.060 0.727 19012 3110 1 7 . 1 1 84 84 LEU CA C 84 50.979 50.979 54.126 -3.147 19012 3111 1 7 . 1 1 84 84 LEU CB C 84 43.114 43.114 42.764 0.350 19012 3112 1 7 . 1 1 84 84 LEU H H 84 9.103 9.103 9.265 -0.162 19012 3113 1 7 . 1 1 85 85 LYS N N 85 129.439 129.439 128.405 1.034 19012 3114 1 7 . 1 1 85 85 LYS HA H 85 5.220 5.220 4.674 0.546 19012 3115 1 7 . 1 1 85 85 LYS CA C 85 52.028 52.028 54.717 -2.689 19012 3116 1 7 . 1 1 85 85 LYS CB C 85 32.656 32.656 32.269 0.387 19012 3117 1 7 . 1 1 85 85 LYS H H 85 9.336 9.336 8.591 0.745 19012 3118 1 7 . 1 1 86 86 VAL N N 86 127.719 127.719 127.759 -0.040 19012 3119 1 7 . 1 1 86 86 VAL HA H 86 4.279 4.279 3.916 0.363 19012 3120 1 7 . 1 1 86 86 VAL CA C 86 59.179 59.179 63.073 -3.894 19012 3121 1 7 . 1 1 86 86 VAL CB C 86 29.826 29.826 31.257 -1.431 19012 3122 1 7 . 1 1 86 86 VAL H H 86 9.122 9.122 8.249 0.873 19012 3123 1 7 . 1 1 87 87 GLU N N 87 126.504 126.504 127.438 -0.934 19012 3124 1 7 . 1 1 87 87 GLU HA H 87 4.215 4.215 4.458 -0.243 19012 3125 1 7 . 1 1 87 87 GLU CA C 87 55.427 55.427 57.151 -1.724 19012 3126 1 7 . 1 1 87 87 GLU CB C 87 29.038 29.038 30.962 -1.925 19012 3127 1 7 . 1 1 87 87 GLU H H 87 8.960 8.960 9.040 -0.080 19012 3128 1 7 . 1 1 88 88 THR N N 88 109.146 109.146 112.342 -3.196 19012 3129 1 7 . 1 1 88 88 THR HA H 88 4.560 4.560 4.505 0.055 19012 3130 1 7 . 1 1 88 88 THR CA C 88 57.802 57.802 61.153 -3.351 19012 3131 1 7 . 1 1 88 88 THR CB C 88 69.805 69.805 70.812 -1.007 19012 3132 1 7 . 1 1 88 88 THR H H 88 7.079 7.079 7.590 -0.511 19012 3133 1 7 . 1 1 89 89 GLY N N 89 102.665 102.665 110.106 -7.441 19012 3134 1 7 . 1 1 89 89 GLY CA C 89 42.083 42.083 44.626 -2.543 19012 3135 1 7 . 1 1 89 89 GLY H H 89 7.984 7.984 8.071 -0.087 19012 3136 1 7 . 1 1 90 90 SER N N 90 118.973 118.973 115.160 3.813 19012 3137 1 7 . 1 1 90 90 SER HA H 90 4.103 4.103 4.274 -0.171 19012 3138 1 7 . 1 1 90 90 SER CA C 90 58.840 58.840 60.328 -1.488 19012 3139 1 7 . 1 1 90 90 SER CB C 90 60.079 60.079 63.404 -3.325 19012 3140 1 7 . 1 1 90 90 SER H H 90 8.854 8.854 8.867 -0.013 19012 3141 1 7 . 1 1 91 91 GLU N N 91 120.699 120.699 118.233 2.466 19012 3142 1 7 . 1 1 91 91 GLU HA H 91 3.676 3.676 4.215 -0.539 19012 3143 1 7 . 1 1 91 91 GLU CA C 91 54.571 54.571 54.877 -0.306 19012 3144 1 7 . 1 1 91 91 GLU CB C 91 26.627 26.627 28.229 -1.602 19012 3145 1 7 . 1 1 91 91 GLU H H 91 10.220 10.220 8.349 1.871 19012 3146 1 7 . 1 1 92 92 ALA N N 92 121.411 121.411 123.512 -2.101 19012 3147 1 7 . 1 1 92 92 ALA HA H 92 3.691 3.691 4.233 -0.542 19012 3148 1 7 . 1 1 92 92 ALA CA C 92 50.916 50.916 53.214 -2.297 19012 3149 1 7 . 1 1 92 92 ALA CB C 92 16.118 16.118 18.291 -2.173 19012 3150 1 7 . 1 1 92 92 ALA H H 92 7.014 7.014 7.209 -0.195 19012 3151 1 7 . 1 1 93 93 GLY N N 93 109.056 109.056 111.539 -2.483 19012 3152 1 7 . 1 1 93 93 GLY CA C 93 42.601 42.601 45.433 -2.832 19012 3153 1 7 . 1 1 93 93 GLY H H 93 8.706 8.706 7.791 0.915 19012 3154 1 7 . 1 1 94 94 THR N N 94 117.255 117.255 114.282 2.973 19012 3155 1 7 . 1 1 94 94 THR HA H 94 4.831 4.831 5.289 -0.458 19012 3156 1 7 . 1 1 94 94 THR CA C 94 60.491 60.491 60.358 0.133 19012 3157 1 7 . 1 1 94 94 THR CB C 94 66.403 66.403 69.340 -2.937 19012 3158 1 7 . 1 1 94 94 THR H H 94 8.637 8.637 8.251 0.386 19012 3159 1 7 . 1 1 95 95 TYR N N 95 127.051 127.051 126.236 0.815 19012 3160 1 7 . 1 1 95 95 TYR HA H 95 4.564 4.564 5.157 -0.593 19012 3161 1 7 . 1 1 95 95 TYR CA C 95 53.889 53.889 56.635 -2.745 19012 3162 1 7 . 1 1 95 95 TYR CB C 95 39.733 39.733 41.752 -2.019 19012 3163 1 7 . 1 1 95 95 TYR H H 95 10.060 10.060 9.235 0.825 19012 3164 1 7 . 1 1 96 96 LYS N N 96 119.487 119.487 124.534 -5.047 19012 3165 1 7 . 1 1 96 96 LYS HA H 96 5.668 5.668 5.004 0.664 19012 3166 1 7 . 1 1 96 96 LYS CA C 96 50.781 50.781 55.032 -4.251 19012 3167 1 7 . 1 1 96 96 LYS CB C 96 31.840 31.840 33.211 -1.371 19012 3168 1 7 . 1 1 96 96 LYS H H 96 8.960 8.960 9.144 -0.184 19012 3169 1 7 . 1 1 97 97 LYS N N 97 128.866 128.866 126.432 2.434 19012 3170 1 7 . 1 1 97 97 LYS HA H 97 3.701 3.701 3.865 -0.164 19012 3171 1 7 . 1 1 97 97 LYS CA C 97 55.022 55.022 57.038 -2.016 19012 3172 1 7 . 1 1 97 97 LYS CB C 97 30.744 30.744 32.535 -1.791 19012 3173 1 7 . 1 1 97 97 LYS H H 97 8.729 8.729 8.757 -0.028 19012 3174 1 7 . 1 1 98 98 GLN N N 98 127.056 127.056 127.169 -0.113 19012 3175 1 7 . 1 1 98 98 GLN HA H 98 4.244 4.244 4.478 -0.234 19012 3176 1 7 . 1 1 98 98 GLN CA C 98 52.689 52.689 54.817 -2.128 19012 3177 1 7 . 1 1 98 98 GLN CB C 98 28.065 28.065 28.697 -0.632 19012 3178 1 7 . 1 1 98 98 GLN H H 98 8.992 8.992 8.208 0.784 19012 3179 1 8 . 1 1 2 2 GLU N N 2 119.968 119.968 120.973 -1.005 19012 3180 1 8 . 1 1 2 2 GLU HA H 2 4.009 4.009 4.688 -0.679 19012 3181 1 8 . 1 1 2 2 GLU CA C 2 53.190 53.190 56.404 -3.214 19012 3182 1 8 . 1 1 2 2 GLU CB C 2 27.574 27.574 30.173 -2.599 19012 3183 1 8 . 1 1 2 2 GLU H H 2 8.212 8.212 8.442 -0.230 19012 3184 1 8 . 1 1 3 3 ASP N N 3 122.057 122.057 123.477 -1.420 19012 3185 1 8 . 1 1 3 3 ASP HA H 3 4.509 4.509 4.867 -0.358 19012 3186 1 8 . 1 1 3 3 ASP CA C 3 50.691 50.691 53.117 -2.426 19012 3187 1 8 . 1 1 3 3 ASP CB C 3 38.121 38.121 39.694 -1.573 19012 3188 1 8 . 1 1 3 3 ASP H H 3 8.209 8.209 8.493 -0.284 19012 3189 1 8 . 1 1 4 4 TRP N N 4 121.397 121.397 121.569 -0.172 19012 3190 1 8 . 1 1 4 4 TRP HA H 4 4.749 4.749 4.626 0.123 19012 3191 1 8 . 1 1 4 4 TRP CA C 4 53.792 53.792 57.196 -3.404 19012 3192 1 8 . 1 1 4 4 TRP CB C 4 27.994 27.994 29.966 -1.972 19012 3193 1 8 . 1 1 4 4 TRP H H 4 7.614 7.614 7.665 -0.051 19012 3194 1 8 . 1 1 5 5 THR N N 5 117.669 117.669 117.307 0.362 19012 3195 1 8 . 1 1 5 5 THR HA H 5 4.733 4.733 4.376 0.357 19012 3196 1 8 . 1 1 5 5 THR CA C 5 57.170 57.170 61.560 -4.390 19012 3197 1 8 . 1 1 5 5 THR CB C 5 68.444 68.444 69.427 -0.983 19012 3198 1 8 . 1 1 5 5 THR H H 5 9.387 9.387 8.407 0.980 19012 3199 1 8 . 1 1 6 6 GLU N N 6 121.359 121.359 120.114 1.245 19012 3200 1 8 . 1 1 6 6 GLU HA H 6 4.283 4.283 4.222 0.061 19012 3201 1 8 . 1 1 6 6 GLU CA C 6 53.743 53.743 57.059 -3.316 19012 3202 1 8 . 1 1 6 6 GLU CB C 6 28.184 28.184 29.867 -1.683 19012 3203 1 8 . 1 1 6 6 GLU H H 6 8.027 8.027 8.572 -0.545 19012 3204 1 8 . 1 1 7 7 LEU N N 7 126.701 126.701 125.631 1.070 19012 3205 1 8 . 1 1 7 7 LEU HA H 7 4.217 4.217 4.399 -0.182 19012 3206 1 8 . 1 1 7 7 LEU CA C 7 52.720 52.720 55.468 -2.748 19012 3207 1 8 . 1 1 7 7 LEU CB C 7 40.595 40.595 42.866 -2.271 19012 3208 1 8 . 1 1 7 7 LEU H H 7 8.626 8.626 8.578 0.048 19012 3209 1 8 . 1 1 8 8 ASN N N 8 121.528 121.528 121.509 0.019 19012 3210 1 8 . 1 1 8 8 ASN HA H 8 4.611 4.611 4.966 -0.355 19012 3211 1 8 . 1 1 8 8 ASN CA C 8 49.652 49.652 52.597 -2.946 19012 3212 1 8 . 1 1 8 8 ASN CB C 8 38.102 38.102 42.442 -4.340 19012 3213 1 8 . 1 1 8 8 ASN H H 8 9.218 9.218 8.376 0.842 19012 3214 1 8 . 1 1 9 9 SER N N 9 109.319 109.319 117.779 -8.460 19012 3215 1 8 . 1 1 9 9 SER HA H 9 4.045 4.045 4.272 -0.227 19012 3216 1 8 . 1 1 9 9 SER CA C 9 58.381 58.381 62.115 -3.735 19012 3217 1 8 . 1 1 9 9 SER CB C 9 60.521 60.521 63.458 -2.937 19012 3218 1 8 . 1 1 9 9 SER H H 9 8.268 8.268 9.030 -0.762 19012 3219 1 8 . 1 1 10 10 ASN N N 10 117.403 117.403 116.400 1.003 19012 3220 1 8 . 1 1 10 10 ASN HA H 10 4.872 4.872 4.633 0.239 19012 3221 1 8 . 1 1 10 10 ASN CA C 10 52.508 52.508 55.311 -2.803 19012 3222 1 8 . 1 1 10 10 ASN CB C 10 37.905 37.905 38.152 -0.247 19012 3223 1 8 . 1 1 10 10 ASN H H 10 8.610 8.610 8.637 -0.027 19012 3224 1 8 . 1 1 11 11 ASN N N 11 119.053 119.053 118.421 0.632 19012 3225 1 8 . 1 1 11 11 ASN HA H 11 4.396 4.396 4.710 -0.314 19012 3226 1 8 . 1 1 11 11 ASN CA C 11 51.832 51.832 54.940 -3.108 19012 3227 1 8 . 1 1 11 11 ASN CB C 11 34.355 34.355 38.977 -4.622 19012 3228 1 8 . 1 1 11 11 ASN H H 11 8.614 8.614 7.894 0.720 19012 3229 1 8 . 1 1 12 12 ILE N N 12 117.943 117.943 120.331 -2.388 19012 3230 1 8 . 1 1 12 12 ILE HA H 12 4.185 4.185 4.329 -0.144 19012 3231 1 8 . 1 1 12 12 ILE CA C 12 55.309 55.309 60.577 -5.268 19012 3232 1 8 . 1 1 12 12 ILE CB C 12 36.651 36.651 37.078 -0.427 19012 3233 1 8 . 1 1 12 12 ILE H H 12 7.041 7.041 7.469 -0.428 19012 3234 1 8 . 1 1 13 13 ILE N N 13 118.354 118.354 121.887 -3.533 19012 3235 1 8 . 1 1 13 13 ILE HA H 13 3.800 3.800 4.896 -1.096 19012 3236 1 8 . 1 1 13 13 ILE CA C 13 58.469 58.469 58.007 0.462 19012 3237 1 8 . 1 1 13 13 ILE CB C 13 34.584 34.584 38.003 -3.419 19012 3238 1 8 . 1 1 13 13 ILE H H 13 6.635 6.635 7.607 -0.972 19012 3239 1 8 . 1 1 14 14 GLY N N 14 114.150 114.150 114.769 -0.619 19012 3240 1 8 . 1 1 14 14 GLY CA C 14 41.496 41.496 45.025 -3.529 19012 3241 1 8 . 1 1 14 14 GLY H H 14 8.842 8.842 8.963 -0.120 19012 3242 1 8 . 1 1 15 15 TYR N N 15 119.014 119.014 118.889 0.125 19012 3243 1 8 . 1 1 15 15 TYR HA H 15 4.961 4.961 4.822 0.139 19012 3244 1 8 . 1 1 15 15 TYR CA C 15 54.499 54.499 57.621 -3.122 19012 3245 1 8 . 1 1 15 15 TYR CB C 15 38.075 38.075 40.543 -2.468 19012 3246 1 8 . 1 1 15 15 TYR H H 15 8.264 8.264 8.175 0.089 19012 3247 1 8 . 1 1 16 16 TRP N N 16 124.101 124.101 118.027 6.074 19012 3248 1 8 . 1 1 16 16 TRP HA H 16 5.175 5.175 5.441 -0.266 19012 3249 1 8 . 1 1 16 16 TRP CA C 16 52.970 52.970 56.390 -3.420 19012 3250 1 8 . 1 1 16 16 TRP CB C 16 28.341 28.341 33.984 -5.643 19012 3251 1 8 . 1 1 16 16 TRP H H 16 9.497 9.497 8.843 0.654 19012 3252 1 8 . 1 1 17 17 SER N N 17 115.863 115.863 114.906 0.957 19012 3253 1 8 . 1 1 17 17 SER HA H 17 6.272 6.272 5.644 0.628 19012 3254 1 8 . 1 1 17 17 SER CA C 17 53.039 53.039 55.774 -2.735 19012 3255 1 8 . 1 1 17 17 SER CB C 17 63.415 63.415 65.581 -2.166 19012 3256 1 8 . 1 1 17 17 SER H H 17 9.182 9.182 9.206 -0.024 19012 3257 1 8 . 1 1 18 18 THR N N 18 119.520 119.520 117.681 1.839 19012 3258 1 8 . 1 1 18 18 THR CB C 18 67.199 67.199 69.599 -2.400 19012 3259 1 8 . 1 1 18 18 THR H H 18 8.996 8.996 8.851 0.145 19012 3260 1 8 . 1 1 19 19 GLY N N 19 110.006 110.006 108.572 1.434 19012 3261 1 8 . 1 1 19 19 GLY CA C 19 42.615 42.615 44.878 -2.263 19012 3262 1 8 . 1 1 19 19 GLY H H 19 8.206 8.206 7.408 0.798 19012 3263 1 8 . 1 1 20 20 ILE N N 20 111.313 111.313 114.946 -3.633 19012 3264 1 8 . 1 1 20 20 ILE HA H 20 3.519 3.519 3.733 -0.214 19012 3265 1 8 . 1 1 20 20 ILE CA C 20 57.765 57.765 60.278 -2.513 19012 3266 1 8 . 1 1 20 20 ILE CB C 20 37.839 37.839 38.894 -1.055 19012 3267 1 8 . 1 1 20 20 ILE H H 20 7.953 7.953 8.167 -0.214 19012 3268 1 8 . 1 1 21 21 GLU N N 21 119.547 119.547 119.660 -0.113 19012 3269 1 8 . 1 1 21 21 GLU HA H 21 4.463 4.463 4.667 -0.204 19012 3270 1 8 . 1 1 21 21 GLU CA C 21 52.227 52.227 55.063 -2.837 19012 3271 1 8 . 1 1 21 21 GLU CB C 21 29.468 29.468 31.493 -2.025 19012 3272 1 8 . 1 1 21 21 GLU H H 21 7.514 7.514 7.651 -0.137 19012 3273 1 8 . 1 1 22 22 GLY N N 22 109.534 109.534 112.487 -2.953 19012 3274 1 8 . 1 1 22 22 GLY CA C 22 43.582 43.582 45.463 -1.881 19012 3275 1 8 . 1 1 22 22 GLY H H 22 8.457 8.457 8.676 -0.219 19012 3276 1 8 . 1 1 23 23 THR N N 23 124.632 124.632 119.635 4.997 19012 3277 1 8 . 1 1 23 23 THR HA H 23 5.271 5.271 4.678 0.593 19012 3278 1 8 . 1 1 23 23 THR CA C 23 60.060 60.060 62.856 -2.796 19012 3279 1 8 . 1 1 23 23 THR CB C 23 65.680 65.680 67.225 -1.545 19012 3280 1 8 . 1 1 23 23 THR H H 23 8.881 8.881 8.377 0.504 19012 3281 1 8 . 1 1 24 24 HIS N N 24 122.881 122.881 123.326 -0.445 19012 3282 1 8 . 1 1 24 24 HIS HA H 24 4.780 4.780 5.045 -0.265 19012 3283 1 8 . 1 1 24 24 HIS CA C 24 50.970 50.970 53.661 -2.691 19012 3284 1 8 . 1 1 24 24 HIS CB C 24 27.898 27.898 31.621 -3.723 19012 3285 1 8 . 1 1 24 24 HIS H H 24 8.919 8.919 8.008 0.911 19012 3286 1 8 . 1 1 25 25 LYS N N 25 119.738 119.738 120.091 -0.353 19012 3287 1 8 . 1 1 25 25 LYS HA H 25 5.437 5.437 4.658 0.779 19012 3288 1 8 . 1 1 25 25 LYS CA C 25 52.650 52.650 55.789 -3.139 19012 3289 1 8 . 1 1 25 25 LYS CB C 25 33.277 33.277 35.117 -1.840 19012 3290 1 8 . 1 1 25 25 LYS H H 25 8.816 8.816 8.922 -0.106 19012 3291 1 8 . 1 1 26 26 LEU N N 26 126.017 126.017 126.942 -0.925 19012 3292 1 8 . 1 1 26 26 LEU HA H 26 5.825 5.825 5.306 0.519 19012 3293 1 8 . 1 1 26 26 LEU CA C 26 51.614 51.614 53.091 -1.477 19012 3294 1 8 . 1 1 26 26 LEU CB C 26 44.544 44.544 43.849 0.695 19012 3295 1 8 . 1 1 26 26 LEU H H 26 9.420 9.420 8.995 0.425 19012 3296 1 8 . 1 1 27 27 LEU N N 27 128.825 128.825 127.055 1.770 19012 3297 1 8 . 1 1 27 27 LEU HA H 27 5.417 5.417 4.921 0.496 19012 3298 1 8 . 1 1 27 27 LEU CA C 27 50.740 50.740 54.161 -3.421 19012 3299 1 8 . 1 1 27 27 LEU CB C 27 44.569 44.569 44.555 0.014 19012 3300 1 8 . 1 1 27 27 LEU H H 27 9.475 9.475 8.119 1.356 19012 3301 1 8 . 1 1 28 28 SER N N 28 117.701 117.701 113.445 4.256 19012 3302 1 8 . 1 1 28 28 SER HA H 28 5.337 5.337 5.055 0.282 19012 3303 1 8 . 1 1 28 28 SER CA C 28 53.530 53.530 56.222 -2.692 19012 3304 1 8 . 1 1 28 28 SER CB C 28 63.368 63.368 65.132 -1.764 19012 3305 1 8 . 1 1 28 28 SER H H 28 8.859 8.859 7.904 0.955 19012 3306 1 8 . 1 1 29 29 PHE N N 29 117.319 117.319 119.298 -1.979 19012 3307 1 8 . 1 1 29 29 PHE HA H 29 4.679 4.679 4.682 -0.003 19012 3308 1 8 . 1 1 29 29 PHE CA C 29 54.565 54.565 57.625 -3.060 19012 3309 1 8 . 1 1 29 29 PHE CB C 29 39.104 39.104 42.973 -3.869 19012 3310 1 8 . 1 1 29 29 PHE H H 29 8.401 8.401 8.509 -0.108 19012 3311 1 8 . 1 1 30 30 ASP N N 30 123.741 123.741 123.670 0.071 19012 3312 1 8 . 1 1 30 30 ASP HA H 30 5.217 5.217 5.142 0.075 19012 3313 1 8 . 1 1 30 30 ASP CA C 30 50.408 50.408 53.622 -3.214 19012 3314 1 8 . 1 1 30 30 ASP CB C 30 41.148 41.148 43.783 -2.635 19012 3315 1 8 . 1 1 30 30 ASP H H 30 9.573 9.573 8.530 1.043 19012 3316 1 8 . 1 1 31 31 GLU N N 31 127.123 127.123 120.420 6.703 19012 3317 1 8 . 1 1 31 31 GLU HA H 31 4.127 4.127 4.224 -0.097 19012 3318 1 8 . 1 1 31 31 GLU CA C 31 56.324 56.324 58.824 -2.500 19012 3319 1 8 . 1 1 31 31 GLU CB C 31 27.283 27.283 30.203 -2.920 19012 3320 1 8 . 1 1 31 31 GLU H H 31 9.718 9.718 8.963 0.755 19012 3321 1 8 . 1 1 32 32 ASP N N 32 119.011 119.011 115.476 3.535 19012 3322 1 8 . 1 1 32 32 ASP HA H 32 4.443 4.443 4.680 -0.237 19012 3323 1 8 . 1 1 32 32 ASP CA C 32 50.919 50.919 53.535 -2.615 19012 3324 1 8 . 1 1 32 32 ASP CB C 32 37.344 37.344 40.108 -2.764 19012 3325 1 8 . 1 1 32 32 ASP H H 32 8.911 8.911 8.044 0.867 19012 3326 1 8 . 1 1 33 33 GLY N N 33 106.215 106.215 109.902 -3.687 19012 3327 1 8 . 1 1 33 33 GLY CA C 33 43.879 43.879 45.128 -1.249 19012 3328 1 8 . 1 1 33 33 GLY H H 33 7.781 7.781 7.638 0.143 19012 3329 1 8 . 1 1 34 34 THR N N 34 111.570 111.570 111.898 -0.328 19012 3330 1 8 . 1 1 34 34 THR HA H 34 5.474 5.474 4.560 0.914 19012 3331 1 8 . 1 1 34 34 THR CA C 34 57.389 57.389 60.839 -3.450 19012 3332 1 8 . 1 1 34 34 THR CB C 34 69.991 69.991 71.581 -1.590 19012 3333 1 8 . 1 1 34 34 THR H H 34 7.863 7.863 7.748 0.115 19012 3334 1 8 . 1 1 35 35 GLY N N 35 106.781 106.781 107.286 -0.505 19012 3335 1 8 . 1 1 35 35 GLY CA C 35 43.233 43.233 42.488 0.745 19012 3336 1 8 . 1 1 35 35 GLY H H 35 8.235 8.235 8.655 -0.420 19012 3337 1 8 . 1 1 36 36 SER N N 36 113.807 113.807 113.681 0.126 19012 3338 1 8 . 1 1 36 36 SER HA H 36 4.659 4.659 4.798 -0.139 19012 3339 1 8 . 1 1 36 36 SER CA C 36 54.509 54.509 56.169 -1.660 19012 3340 1 8 . 1 1 36 36 SER CB C 36 64.821 64.821 65.631 -0.810 19012 3341 1 8 . 1 1 36 36 SER H H 36 8.182 8.182 8.097 0.085 19012 3342 1 8 . 1 1 37 37 PHE N N 37 120.041 120.041 123.526 -3.485 19012 3343 1 8 . 1 1 37 37 PHE HA H 37 5.885 5.885 5.095 0.790 19012 3344 1 8 . 1 1 37 37 PHE CA C 37 52.308 52.308 56.231 -3.923 19012 3345 1 8 . 1 1 37 37 PHE CB C 37 41.174 41.174 43.172 -1.998 19012 3346 1 8 . 1 1 37 37 PHE H H 37 8.829 8.829 8.427 0.402 19012 3347 1 8 . 1 1 38 38 GLY N N 38 115.263 115.263 115.498 -0.235 19012 3348 1 8 . 1 1 38 38 GLY CA C 38 42.092 42.092 43.776 -1.684 19012 3349 1 8 . 1 1 38 38 GLY H H 38 8.936 8.936 9.111 -0.175 19012 3350 1 8 . 1 1 39 39 ILE N N 39 119.791 119.791 125.643 -5.852 19012 3351 1 8 . 1 1 39 39 ILE HA H 39 4.292 4.292 4.340 -0.048 19012 3352 1 8 . 1 1 39 39 ILE CA C 39 58.280 58.280 61.639 -3.358 19012 3353 1 8 . 1 1 39 39 ILE CB C 39 36.838 36.838 38.410 -1.572 19012 3354 1 8 . 1 1 39 39 ILE H H 39 7.724 7.724 8.243 -0.519 19012 3355 1 8 . 1 1 40 40 TYR N N 40 125.748 125.748 125.921 -0.173 19012 3356 1 8 . 1 1 40 40 TYR HA H 40 4.742 4.742 5.079 -0.337 19012 3357 1 8 . 1 1 40 40 TYR CA C 40 53.881 53.881 56.444 -2.563 19012 3358 1 8 . 1 1 40 40 TYR CB C 40 39.894 39.894 42.275 -2.381 19012 3359 1 8 . 1 1 40 40 TYR H H 40 8.782 8.782 9.071 -0.289 19012 3360 1 8 . 1 1 41 41 SER N N 41 114.721 114.721 115.660 -0.939 19012 3361 1 8 . 1 1 41 41 SER HA H 41 4.689 4.689 4.897 -0.208 19012 3362 1 8 . 1 1 41 41 SER CA C 41 53.337 53.337 57.124 -3.787 19012 3363 1 8 . 1 1 41 41 SER CB C 41 60.205 60.205 63.899 -3.694 19012 3364 1 8 . 1 1 41 41 SER H H 41 8.708 8.708 8.776 -0.068 19012 3365 1 8 . 1 1 42 42 ASN N N 42 124.063 124.063 126.537 -2.474 19012 3366 1 8 . 1 1 42 42 ASN HA H 42 4.298 4.298 4.395 -0.097 19012 3367 1 8 . 1 1 42 42 ASN CA C 42 54.083 54.083 56.534 -2.451 19012 3368 1 8 . 1 1 42 42 ASN CB C 42 34.720 34.720 37.734 -3.014 19012 3369 1 8 . 1 1 42 42 ASN H H 42 9.239 9.239 9.261 -0.022 19012 3370 1 8 . 1 1 43 43 ALA N N 43 125.505 125.505 123.257 2.248 19012 3371 1 8 . 1 1 43 43 ALA HA H 43 4.576 4.576 4.690 -0.114 19012 3372 1 8 . 1 1 43 43 ALA CA C 43 50.170 50.170 52.683 -2.513 19012 3373 1 8 . 1 1 43 43 ALA CB C 43 16.678 16.678 20.035 -3.357 19012 3374 1 8 . 1 1 43 43 ALA H H 43 8.468 8.468 8.120 0.348 19012 3375 1 8 . 1 1 44 44 THR N N 44 119.056 119.056 115.983 3.073 19012 3376 1 8 . 1 1 44 44 THR HA H 44 4.550 4.550 4.788 -0.238 19012 3377 1 8 . 1 1 44 44 THR CA C 44 58.028 58.028 60.173 -2.145 19012 3378 1 8 . 1 1 44 44 THR CB C 44 68.176 68.176 70.853 -2.676 19012 3379 1 8 . 1 1 44 44 THR H H 44 8.420 8.420 7.775 0.645 19012 3380 1 8 . 1 1 45 45 PRO HA H 45 3.797 3.797 3.933 -0.136 19012 3381 1 8 . 1 1 45 45 PRO CA C 45 60.280 60.280 63.080 -2.800 19012 3382 1 8 . 1 1 45 45 PRO CB C 45 28.488 28.488 31.642 -3.154 19012 3383 1 8 . 1 1 46 46 ILE N N 46 124.607 124.607 122.323 2.284 19012 3384 1 8 . 1 1 46 46 ILE HA H 46 4.023 4.023 4.317 -0.294 19012 3385 1 8 . 1 1 46 46 ILE CA C 46 58.609 58.609 60.756 -2.147 19012 3386 1 8 . 1 1 46 46 ILE CB C 46 35.652 35.652 38.402 -2.750 19012 3387 1 8 . 1 1 46 46 ILE H H 46 8.998 8.998 8.426 0.572 19012 3388 1 8 . 1 1 47 47 SER N N 47 112.826 112.826 115.675 -2.849 19012 3389 1 8 . 1 1 47 47 SER HA H 47 4.474 4.474 4.654 -0.180 19012 3390 1 8 . 1 1 47 47 SER CA C 47 54.926 54.926 57.480 -2.554 19012 3391 1 8 . 1 1 47 47 SER CB C 47 62.419 62.419 65.070 -2.651 19012 3392 1 8 . 1 1 47 47 SER H H 47 7.439 7.439 7.546 -0.107 19012 3393 1 8 . 1 1 48 48 PHE N N 48 123.266 123.266 120.792 2.474 19012 3394 1 8 . 1 1 48 48 PHE HA H 48 5.194 5.194 4.667 0.527 19012 3395 1 8 . 1 1 48 48 PHE CA C 48 55.624 55.624 58.315 -2.691 19012 3396 1 8 . 1 1 48 48 PHE CB C 48 40.000 40.000 40.798 -0.798 19012 3397 1 8 . 1 1 48 48 PHE H H 48 8.238 8.238 8.301 -0.063 19012 3398 1 8 . 1 1 49 49 GLN N N 49 123.564 123.564 124.928 -1.364 19012 3399 1 8 . 1 1 49 49 GLN HA H 49 4.935 4.935 4.570 0.365 19012 3400 1 8 . 1 1 49 49 GLN CA C 49 51.294 51.294 54.408 -3.114 19012 3401 1 8 . 1 1 49 49 GLN CB C 49 29.688 29.688 32.697 -3.009 19012 3402 1 8 . 1 1 49 49 GLN H H 49 8.607 8.607 8.568 0.039 19012 3403 1 8 . 1 1 50 50 MET N N 50 120.626 120.626 118.224 2.402 19012 3404 1 8 . 1 1 50 50 MET HA H 50 4.637 4.637 4.959 -0.322 19012 3405 1 8 . 1 1 50 50 MET CA C 50 51.562 51.562 54.705 -3.143 19012 3406 1 8 . 1 1 50 50 MET CB C 50 33.549 33.549 37.572 -4.022 19012 3407 1 8 . 1 1 50 50 MET H H 50 9.071 9.071 8.323 0.748 19012 3408 1 8 . 1 1 51 51 PHE N N 51 112.996 112.996 114.691 -1.695 19012 3409 1 8 . 1 1 51 51 PHE HA H 51 4.928 4.928 5.052 -0.124 19012 3410 1 8 . 1 1 51 51 PHE CA C 51 53.899 53.899 56.649 -2.750 19012 3411 1 8 . 1 1 51 51 PHE CB C 51 38.018 38.018 40.800 -2.782 19012 3412 1 8 . 1 1 52 52 ASP N N 52 118.727 118.727 120.678 -1.951 19012 3413 1 8 . 1 1 52 52 ASP HA H 52 5.640 5.640 4.878 0.762 19012 3414 1 8 . 1 1 52 52 ASP CA C 52 50.264 50.264 55.193 -4.929 19012 3415 1 8 . 1 1 52 52 ASP CB C 52 38.971 38.971 43.638 -4.667 19012 3416 1 8 . 1 1 52 52 ASP H H 52 8.469 8.469 8.174 0.295 19012 3417 1 8 . 1 1 53 53 TYR N N 53 115.709 115.709 114.700 1.009 19012 3418 1 8 . 1 1 53 53 TYR HA H 53 6.351 6.351 5.821 0.530 19012 3419 1 8 . 1 1 53 53 TYR CA C 53 53.296 53.296 56.250 -2.954 19012 3420 1 8 . 1 1 53 53 TYR CB C 53 40.764 40.764 42.039 -1.275 19012 3421 1 8 . 1 1 53 53 TYR H H 53 8.725 8.725 8.253 0.472 19012 3422 1 8 . 1 1 54 54 LYS N N 54 118.766 118.766 118.692 0.074 19012 3423 1 8 . 1 1 54 54 LYS HA H 54 4.445 4.445 4.662 -0.217 19012 3424 1 8 . 1 1 54 54 LYS CA C 54 52.187 52.187 54.314 -2.127 19012 3425 1 8 . 1 1 54 54 LYS CB C 54 34.819 34.819 37.535 -2.716 19012 3426 1 8 . 1 1 54 54 LYS H H 54 8.972 8.972 8.715 0.257 19012 3427 1 8 . 1 1 55 55 ILE N N 55 122.406 122.406 122.853 -0.447 19012 3428 1 8 . 1 1 55 55 ILE HA H 55 4.796 4.796 5.142 -0.346 19012 3429 1 8 . 1 1 55 55 ILE CA C 55 56.172 56.172 59.466 -3.294 19012 3430 1 8 . 1 1 55 55 ILE CB C 55 33.404 33.404 36.671 -3.267 19012 3431 1 8 . 1 1 55 55 ILE H H 55 8.832 8.832 8.719 0.113 19012 3432 1 8 . 1 1 56 56 GLU N N 56 128.507 128.507 126.533 1.974 19012 3433 1 8 . 1 1 56 56 GLU HA H 56 4.575 4.575 4.550 0.025 19012 3434 1 8 . 1 1 56 56 GLU CA C 56 52.300 52.300 56.247 -3.947 19012 3435 1 8 . 1 1 56 56 GLU CB C 56 30.432 30.432 30.909 -0.477 19012 3436 1 8 . 1 1 56 56 GLU H H 56 8.787 8.787 9.071 -0.284 19012 3437 1 8 . 1 1 57 57 GLU N N 57 125.606 125.606 118.111 7.495 19012 3438 1 8 . 1 1 57 57 GLU HA H 57 3.809 3.809 4.468 -0.659 19012 3439 1 8 . 1 1 57 57 GLU CA C 57 54.254 54.254 56.700 -2.446 19012 3440 1 8 . 1 1 57 57 GLU CB C 57 25.445 25.445 30.226 -4.781 19012 3441 1 8 . 1 1 57 57 GLU H H 57 9.296 9.296 8.386 0.910 19012 3442 1 8 . 1 1 58 58 GLY N N 58 103.913 103.913 107.310 -3.397 19012 3443 1 8 . 1 1 58 58 GLY CA C 58 43.401 43.401 46.088 -2.687 19012 3444 1 8 . 1 1 58 58 GLY H H 58 8.267 8.267 8.336 -0.069 19012 3445 1 8 . 1 1 59 59 ARG N N 59 119.125 119.125 117.273 1.852 19012 3446 1 8 . 1 1 59 59 ARG HA H 59 4.787 4.787 4.601 0.186 19012 3447 1 8 . 1 1 59 59 ARG CA C 59 51.812 51.812 54.499 -2.687 19012 3448 1 8 . 1 1 59 59 ARG CB C 59 32.023 32.023 33.993 -1.970 19012 3449 1 8 . 1 1 59 59 ARG H H 59 7.840 7.840 7.594 0.246 19012 3450 1 8 . 1 1 60 60 ILE N N 60 118.464 118.464 119.955 -1.491 19012 3451 1 8 . 1 1 60 60 ILE HA H 60 4.409 4.409 4.682 -0.273 19012 3452 1 8 . 1 1 60 60 ILE CA C 60 58.461 58.461 60.692 -2.231 19012 3453 1 8 . 1 1 60 60 ILE CB C 60 36.943 36.943 38.855 -1.911 19012 3454 1 8 . 1 1 60 60 ILE H H 60 8.150 8.150 8.309 -0.159 19012 3455 1 8 . 1 1 61 61 TYR N N 61 130.267 130.267 130.450 -0.183 19012 3456 1 8 . 1 1 61 61 TYR HA H 61 4.399 4.399 4.418 -0.019 19012 3457 1 8 . 1 1 61 61 TYR CA C 61 53.435 53.435 56.564 -3.129 19012 3458 1 8 . 1 1 61 61 TYR CB C 61 37.443 37.443 39.041 -1.598 19012 3459 1 8 . 1 1 61 61 TYR H H 61 9.304 9.304 9.190 0.114 19012 3460 1 8 . 1 1 62 62 ILE N N 62 129.152 129.152 127.716 1.436 19012 3461 1 8 . 1 1 62 62 ILE HA H 62 4.035 4.035 4.301 -0.266 19012 3462 1 8 . 1 1 62 62 ILE CA C 62 55.538 55.538 58.488 -2.950 19012 3463 1 8 . 1 1 62 62 ILE CB C 62 33.654 33.654 38.138 -4.484 19012 3464 1 8 . 1 1 62 62 ILE H H 62 8.326 8.326 8.595 -0.269 19012 3465 1 8 . 1 1 63 63 TYR N N 63 119.836 119.836 120.740 -0.904 19012 3466 1 8 . 1 1 63 63 TYR HA H 63 4.563 4.563 4.520 0.043 19012 3467 1 8 . 1 1 63 63 TYR CA C 63 52.035 52.035 56.274 -4.239 19012 3468 1 8 . 1 1 63 63 TYR CB C 63 36.267 36.267 39.841 -3.574 19012 3469 1 8 . 1 1 63 63 TYR H H 63 8.397 8.397 8.378 0.019 19012 3470 1 8 . 1 1 64 64 ASP N N 64 117.747 117.747 120.733 -2.986 19012 3471 1 8 . 1 1 64 64 ASP HA H 64 4.270 4.270 4.706 -0.436 19012 3472 1 8 . 1 1 64 64 ASP CA C 64 51.384 51.384 54.363 -2.979 19012 3473 1 8 . 1 1 64 64 ASP CB C 64 35.510 35.510 42.910 -7.400 19012 3474 1 8 . 1 1 64 64 ASP H H 64 8.570 8.570 7.765 0.805 19012 3475 1 8 . 1 1 65 65 VAL N N 65 117.619 117.619 122.738 -5.119 19012 3476 1 8 . 1 1 65 65 VAL HA H 65 4.329 4.329 4.966 -0.637 19012 3477 1 8 . 1 1 65 65 VAL CA C 65 61.015 61.015 60.863 0.152 19012 3478 1 8 . 1 1 65 65 VAL CB C 65 29.350 29.350 35.234 -5.884 19012 3479 1 8 . 1 1 65 65 VAL H H 65 8.116 8.116 8.125 -0.009 19012 3480 1 8 . 1 1 66 66 TYR N N 66 127.317 127.317 124.353 2.964 19012 3481 1 8 . 1 1 66 66 TYR HA H 66 4.567 4.567 5.155 -0.588 19012 3482 1 8 . 1 1 66 66 TYR CA C 66 53.116 53.116 55.816 -2.700 19012 3483 1 8 . 1 1 66 66 TYR CB C 66 39.090 39.090 40.199 -1.109 19012 3484 1 8 . 1 1 66 66 TYR H H 66 8.911 8.911 8.776 0.135 19012 3485 1 8 . 1 1 67 67 PRO HA H 67 3.778 3.778 4.105 -0.327 19012 3486 1 8 . 1 1 67 67 PRO CA C 67 60.736 60.736 63.597 -2.861 19012 3487 1 8 . 1 1 67 67 PRO CB C 67 32.039 32.039 31.615 0.424 19012 3488 1 8 . 1 1 68 68 ASP N N 68 122.446 122.446 119.644 2.802 19012 3489 1 8 . 1 1 68 68 ASP HA H 68 4.595 4.595 4.706 -0.111 19012 3490 1 8 . 1 1 68 68 ASP CA C 68 51.405 51.405 53.509 -2.104 19012 3491 1 8 . 1 1 68 68 ASP CB C 68 37.732 37.732 42.211 -4.479 19012 3492 1 8 . 1 1 68 68 ASP H H 68 8.017 8.017 7.704 0.313 19012 3493 1 8 . 1 1 69 69 GLU N N 69 121.842 121.842 121.087 0.755 19012 3494 1 8 . 1 1 69 69 GLU HA H 69 4.167 4.167 4.588 -0.421 19012 3495 1 8 . 1 1 69 69 GLU CA C 69 54.191 54.191 55.676 -1.485 19012 3496 1 8 . 1 1 69 69 GLU CB C 69 27.200 27.200 30.885 -3.685 19012 3497 1 8 . 1 1 69 69 GLU H H 69 8.109 8.109 8.499 -0.390 19012 3498 1 8 . 1 1 70 70 LYS N N 70 121.975 121.975 123.995 -2.020 19012 3499 1 8 . 1 1 70 70 LYS HA H 70 4.532 4.532 4.554 -0.022 19012 3500 1 8 . 1 1 70 70 LYS CA C 70 52.097 52.097 54.388 -2.291 19012 3501 1 8 . 1 1 70 70 LYS CB C 70 33.247 33.247 33.465 -0.218 19012 3502 1 8 . 1 1 70 70 LYS H H 70 7.646 7.646 8.212 -0.566 19012 3503 1 8 . 1 1 71 71 THR N N 71 120.177 120.177 118.214 1.963 19012 3504 1 8 . 1 1 71 71 THR HA H 71 4.386 4.386 4.251 0.135 19012 3505 1 8 . 1 1 71 71 THR CA C 71 58.759 58.759 61.151 -2.392 19012 3506 1 8 . 1 1 71 71 THR CB C 71 66.724 66.724 69.444 -2.720 19012 3507 1 8 . 1 1 71 71 THR H H 71 8.258 8.258 8.422 -0.164 19012 3508 1 8 . 1 1 72 72 PRO HA H 72 4.389 4.389 4.300 0.089 19012 3509 1 8 . 1 1 72 72 PRO CA C 72 61.688 61.688 62.823 -1.135 19012 3510 1 8 . 1 1 72 72 PRO CB C 72 31.440 31.440 32.468 -1.028 19012 3511 1 8 . 1 1 73 73 TYR N N 73 118.747 118.747 115.564 3.183 19012 3512 1 8 . 1 1 73 73 TYR HA H 73 4.857 4.857 4.897 -0.040 19012 3513 1 8 . 1 1 73 73 TYR CA C 73 52.643 52.643 56.156 -3.513 19012 3514 1 8 . 1 1 73 73 TYR CB C 73 37.470 37.470 38.958 -1.488 19012 3515 1 8 . 1 1 73 73 TYR H H 73 7.988 7.988 7.954 0.034 19012 3516 1 8 . 1 1 74 74 TYR N N 74 114.692 114.692 118.387 -3.695 19012 3517 1 8 . 1 1 74 74 TYR HA H 74 5.548 5.548 5.758 -0.210 19012 3518 1 8 . 1 1 74 74 TYR CA C 74 53.855 53.855 57.056 -3.201 19012 3519 1 8 . 1 1 74 74 TYR CB C 74 39.316 39.316 41.077 -1.761 19012 3520 1 8 . 1 1 74 74 TYR H H 74 8.370 8.370 8.611 -0.241 19012 3521 1 8 . 1 1 75 75 LEU N N 75 120.717 120.717 123.897 -3.180 19012 3522 1 8 . 1 1 75 75 LEU HA H 75 4.456 4.456 4.755 -0.299 19012 3523 1 8 . 1 1 75 75 LEU CA C 75 50.648 50.648 53.590 -2.942 19012 3524 1 8 . 1 1 75 75 LEU CB C 75 41.979 41.979 45.243 -3.264 19012 3525 1 8 . 1 1 75 75 LEU H H 75 9.467 9.467 9.084 0.383 19012 3526 1 8 . 1 1 76 76 ASP N N 76 123.675 123.675 122.609 1.066 19012 3527 1 8 . 1 1 76 76 ASP HA H 76 5.041 5.041 4.738 0.303 19012 3528 1 8 . 1 1 76 76 ASP CA C 76 51.324 51.324 53.921 -2.597 19012 3529 1 8 . 1 1 76 76 ASP CB C 76 39.376 39.376 41.087 -1.711 19012 3530 1 8 . 1 1 76 76 ASP H H 76 7.825 7.825 8.711 -0.886 19012 3531 1 8 . 1 1 77 77 CYS N N 77 118.147 118.147 118.319 -0.172 19012 3532 1 8 . 1 1 77 77 CYS HA H 77 5.514 5.514 5.221 0.293 19012 3533 1 8 . 1 1 77 77 CYS CA C 77 53.205 53.205 56.015 -2.810 19012 3534 1 8 . 1 1 77 77 CYS CB C 77 30.347 30.347 31.983 -1.636 19012 3535 1 8 . 1 1 77 77 CYS H H 77 8.504 8.504 8.469 0.035 19012 3536 1 8 . 1 1 78 78 LYS N N 78 119.791 119.791 117.897 1.894 19012 3537 1 8 . 1 1 78 78 LYS HA H 78 4.398 4.398 4.619 -0.221 19012 3538 1 8 . 1 1 78 78 LYS CA C 78 52.033 52.033 54.891 -2.858 19012 3539 1 8 . 1 1 78 78 LYS CB C 78 33.618 33.618 35.670 -2.052 19012 3540 1 8 . 1 1 78 78 LYS H H 78 8.483 8.483 8.342 0.141 19012 3541 1 8 . 1 1 79 79 ILE N N 79 122.179 122.179 121.015 1.164 19012 3542 1 8 . 1 1 79 79 ILE HA H 79 5.410 5.410 5.148 0.262 19012 3543 1 8 . 1 1 79 79 ILE CA C 79 56.581 56.581 59.516 -2.935 19012 3544 1 8 . 1 1 79 79 ILE CB C 79 41.302 41.302 42.090 -0.788 19012 3545 1 8 . 1 1 79 79 ILE H H 79 8.923 8.923 9.047 -0.124 19012 3546 1 8 . 1 1 80 80 SER N N 80 122.640 122.640 118.615 4.025 19012 3547 1 8 . 1 1 80 80 SER HA H 80 4.760 4.760 5.126 -0.366 19012 3548 1 8 . 1 1 80 80 SER CB C 80 62.504 62.504 64.226 -1.722 19012 3549 1 8 . 1 1 80 80 SER H H 80 9.150 9.150 8.649 0.501 19012 3550 1 8 . 1 1 81 81 GLY N N 81 111.781 111.781 110.063 1.718 19012 3551 1 8 . 1 1 81 81 GLY CA C 81 44.910 44.910 45.560 -0.650 19012 3552 1 8 . 1 1 81 81 GLY H H 81 8.832 8.832 8.235 0.597 19012 3553 1 8 . 1 1 82 82 THR N N 82 110.902 110.902 115.133 -4.231 19012 3554 1 8 . 1 1 82 82 THR HA H 82 4.541 4.541 4.531 0.010 19012 3555 1 8 . 1 1 82 82 THR CA C 82 58.833 58.833 61.914 -3.081 19012 3556 1 8 . 1 1 82 82 THR H H 82 8.284 8.284 8.329 -0.045 19012 3557 1 8 . 1 1 83 83 THR N N 83 119.808 119.808 119.333 0.475 19012 3558 1 8 . 1 1 83 83 THR HA H 83 5.576 5.576 5.271 0.305 19012 3559 1 8 . 1 1 83 83 THR CA C 83 59.711 59.711 61.928 -2.217 19012 3560 1 8 . 1 1 83 83 THR CB C 83 68.486 68.486 70.747 -2.261 19012 3561 1 8 . 1 1 83 83 THR H H 83 8.178 8.178 7.944 0.234 19012 3562 1 8 . 1 1 84 84 LEU N N 84 128.946 128.946 126.665 2.281 19012 3563 1 8 . 1 1 84 84 LEU HA H 84 4.787 4.787 4.738 0.049 19012 3564 1 8 . 1 1 84 84 LEU CA C 84 50.979 50.979 53.187 -2.208 19012 3565 1 8 . 1 1 84 84 LEU CB C 84 43.114 43.114 44.579 -1.465 19012 3566 1 8 . 1 1 84 84 LEU H H 84 9.103 9.103 8.471 0.632 19012 3567 1 8 . 1 1 85 85 LYS N N 85 129.439 129.439 126.705 2.734 19012 3568 1 8 . 1 1 85 85 LYS HA H 85 5.220 5.220 4.669 0.551 19012 3569 1 8 . 1 1 85 85 LYS CA C 85 52.028 52.028 54.488 -2.460 19012 3570 1 8 . 1 1 85 85 LYS CB C 85 32.656 32.656 32.902 -0.246 19012 3571 1 8 . 1 1 85 85 LYS H H 85 9.336 9.336 8.832 0.504 19012 3572 1 8 . 1 1 86 86 VAL N N 86 127.719 127.719 128.012 -0.293 19012 3573 1 8 . 1 1 86 86 VAL HA H 86 4.279 4.279 3.810 0.469 19012 3574 1 8 . 1 1 86 86 VAL CA C 86 59.179 59.179 63.207 -4.028 19012 3575 1 8 . 1 1 86 86 VAL CB C 86 29.826 29.826 31.274 -1.448 19012 3576 1 8 . 1 1 86 86 VAL H H 86 9.122 9.122 8.217 0.905 19012 3577 1 8 . 1 1 87 87 GLU N N 87 126.504 126.504 128.494 -1.990 19012 3578 1 8 . 1 1 87 87 GLU HA H 87 4.215 4.215 4.232 -0.017 19012 3579 1 8 . 1 1 87 87 GLU CA C 87 55.427 55.427 58.149 -2.722 19012 3580 1 8 . 1 1 87 87 GLU CB C 87 29.038 29.038 30.404 -1.366 19012 3581 1 8 . 1 1 87 87 GLU H H 87 8.960 8.960 8.873 0.087 19012 3582 1 8 . 1 1 88 88 THR N N 88 109.146 109.146 111.664 -2.518 19012 3583 1 8 . 1 1 88 88 THR HA H 88 4.560 4.560 4.468 0.092 19012 3584 1 8 . 1 1 88 88 THR CA C 88 57.802 57.802 61.192 -3.390 19012 3585 1 8 . 1 1 88 88 THR CB C 88 69.805 69.805 71.467 -1.662 19012 3586 1 8 . 1 1 88 88 THR H H 88 7.079 7.079 7.541 -0.462 19012 3587 1 8 . 1 1 89 89 GLY N N 89 102.665 102.665 111.044 -8.379 19012 3588 1 8 . 1 1 89 89 GLY CA C 89 42.083 42.083 44.803 -2.720 19012 3589 1 8 . 1 1 89 89 GLY H H 89 7.984 7.984 8.010 -0.026 19012 3590 1 8 . 1 1 90 90 SER N N 90 118.973 118.973 116.131 2.842 19012 3591 1 8 . 1 1 90 90 SER HA H 90 4.103 4.103 4.209 -0.106 19012 3592 1 8 . 1 1 90 90 SER CA C 90 58.840 58.840 60.333 -1.492 19012 3593 1 8 . 1 1 90 90 SER CB C 90 60.079 60.079 63.298 -3.219 19012 3594 1 8 . 1 1 90 90 SER H H 90 8.854 8.854 8.826 0.028 19012 3595 1 8 . 1 1 91 91 GLU N N 91 120.699 120.699 118.620 2.079 19012 3596 1 8 . 1 1 91 91 GLU HA H 91 3.676 3.676 4.332 -0.656 19012 3597 1 8 . 1 1 91 91 GLU CA C 91 54.571 54.571 55.569 -0.999 19012 3598 1 8 . 1 1 91 91 GLU CB C 91 26.627 26.627 29.101 -2.474 19012 3599 1 8 . 1 1 91 91 GLU H H 91 10.220 10.220 8.104 2.116 19012 3600 1 8 . 1 1 92 92 ALA N N 92 121.411 121.411 123.487 -2.076 19012 3601 1 8 . 1 1 92 92 ALA HA H 92 3.691 3.691 4.170 -0.479 19012 3602 1 8 . 1 1 92 92 ALA CA C 92 50.916 50.916 53.746 -2.830 19012 3603 1 8 . 1 1 92 92 ALA CB C 92 16.118 16.118 17.890 -1.772 19012 3604 1 8 . 1 1 92 92 ALA H H 92 7.014 7.014 7.426 -0.412 19012 3605 1 8 . 1 1 93 93 GLY N N 93 109.056 109.056 111.986 -2.930 19012 3606 1 8 . 1 1 93 93 GLY CA C 93 42.601 42.601 45.780 -3.179 19012 3607 1 8 . 1 1 93 93 GLY H H 93 8.706 8.706 7.867 0.839 19012 3608 1 8 . 1 1 94 94 THR N N 94 117.255 117.255 113.615 3.640 19012 3609 1 8 . 1 1 94 94 THR HA H 94 4.831 4.831 5.206 -0.375 19012 3610 1 8 . 1 1 94 94 THR CA C 94 60.491 60.491 60.097 0.394 19012 3611 1 8 . 1 1 94 94 THR CB C 94 66.403 66.403 69.683 -3.280 19012 3612 1 8 . 1 1 94 94 THR H H 94 8.637 8.637 8.066 0.571 19012 3613 1 8 . 1 1 95 95 TYR N N 95 127.051 127.051 125.026 2.025 19012 3614 1 8 . 1 1 95 95 TYR HA H 95 4.564 4.564 5.512 -0.948 19012 3615 1 8 . 1 1 95 95 TYR CA C 95 53.889 53.889 56.391 -2.502 19012 3616 1 8 . 1 1 95 95 TYR CB C 95 39.733 39.733 43.035 -3.302 19012 3617 1 8 . 1 1 95 95 TYR H H 95 10.060 10.060 9.052 1.008 19012 3618 1 8 . 1 1 96 96 LYS N N 96 119.487 119.487 120.370 -0.883 19012 3619 1 8 . 1 1 96 96 LYS HA H 96 5.668 5.668 5.551 0.117 19012 3620 1 8 . 1 1 96 96 LYS CA C 96 50.781 50.781 53.828 -3.047 19012 3621 1 8 . 1 1 96 96 LYS CB C 96 31.840 31.840 35.052 -3.212 19012 3622 1 8 . 1 1 96 96 LYS H H 96 8.960 8.960 9.492 -0.532 19012 3623 1 8 . 1 1 97 97 LYS N N 97 128.866 128.866 126.039 2.827 19012 3624 1 8 . 1 1 97 97 LYS HA H 97 3.701 3.701 3.614 0.087 19012 3625 1 8 . 1 1 97 97 LYS CA C 97 55.022 55.022 56.968 -1.946 19012 3626 1 8 . 1 1 97 97 LYS CB C 97 30.744 30.744 32.893 -2.149 19012 3627 1 8 . 1 1 97 97 LYS H H 97 8.729 8.729 8.735 -0.006 19012 3628 1 8 . 1 1 98 98 GLN N N 98 127.056 127.056 122.276 4.780 19012 3629 1 8 . 1 1 98 98 GLN HA H 98 4.244 4.244 4.587 -0.343 19012 3630 1 8 . 1 1 98 98 GLN CA C 98 52.689 52.689 54.675 -1.986 19012 3631 1 8 . 1 1 98 98 GLN CB C 98 28.065 28.065 31.729 -3.664 19012 3632 1 8 . 1 1 98 98 GLN H H 98 8.992 8.992 8.299 0.693 19012 3633 1 9 . 1 1 2 2 GLU N N 2 119.968 119.968 119.968 0.000 19012 3634 1 9 . 1 1 2 2 GLU HA H 2 4.009 4.009 4.509 -0.500 19012 3635 1 9 . 1 1 2 2 GLU CA C 2 53.190 53.190 55.745 -2.555 19012 3636 1 9 . 1 1 2 2 GLU CB C 2 27.574 27.574 32.424 -4.850 19012 3637 1 9 . 1 1 2 2 GLU H H 2 8.212 8.212 8.531 -0.319 19012 3638 1 9 . 1 1 3 3 ASP N N 3 122.057 122.057 121.852 0.205 19012 3639 1 9 . 1 1 3 3 ASP HA H 3 4.509 4.509 4.879 -0.370 19012 3640 1 9 . 1 1 3 3 ASP CA C 3 50.691 50.691 53.295 -2.604 19012 3641 1 9 . 1 1 3 3 ASP CB C 3 38.121 38.121 39.732 -1.611 19012 3642 1 9 . 1 1 3 3 ASP H H 3 8.209 8.209 8.497 -0.288 19012 3643 1 9 . 1 1 4 4 TRP N N 4 121.397 121.397 120.941 0.456 19012 3644 1 9 . 1 1 4 4 TRP HA H 4 4.749 4.749 4.629 0.120 19012 3645 1 9 . 1 1 4 4 TRP CA C 4 53.792 53.792 57.204 -3.412 19012 3646 1 9 . 1 1 4 4 TRP CB C 4 27.994 27.994 30.029 -2.035 19012 3647 1 9 . 1 1 4 4 TRP H H 4 7.614 7.614 7.566 0.048 19012 3648 1 9 . 1 1 5 5 THR N N 5 117.669 117.669 116.393 1.276 19012 3649 1 9 . 1 1 5 5 THR HA H 5 4.733 4.733 4.357 0.376 19012 3650 1 9 . 1 1 5 5 THR CA C 5 57.170 57.170 61.789 -4.619 19012 3651 1 9 . 1 1 5 5 THR CB C 5 68.444 68.444 69.671 -1.228 19012 3652 1 9 . 1 1 5 5 THR H H 5 9.387 9.387 8.514 0.873 19012 3653 1 9 . 1 1 6 6 GLU N N 6 121.359 121.359 119.517 1.842 19012 3654 1 9 . 1 1 6 6 GLU HA H 6 4.283 4.283 4.199 0.084 19012 3655 1 9 . 1 1 6 6 GLU CA C 6 53.743 53.743 57.100 -3.357 19012 3656 1 9 . 1 1 6 6 GLU CB C 6 28.184 28.184 29.783 -1.599 19012 3657 1 9 . 1 1 6 6 GLU H H 6 8.027 8.027 8.649 -0.622 19012 3658 1 9 . 1 1 7 7 LEU N N 7 126.701 126.701 126.605 0.096 19012 3659 1 9 . 1 1 7 7 LEU HA H 7 4.217 4.217 4.334 -0.117 19012 3660 1 9 . 1 1 7 7 LEU CA C 7 52.720 52.720 55.575 -2.855 19012 3661 1 9 . 1 1 7 7 LEU CB C 7 40.595 40.595 42.544 -1.949 19012 3662 1 9 . 1 1 7 7 LEU H H 7 8.626 8.626 8.495 0.131 19012 3663 1 9 . 1 1 8 8 ASN N N 8 121.528 121.528 123.235 -1.707 19012 3664 1 9 . 1 1 8 8 ASN HA H 8 4.611 4.611 5.005 -0.394 19012 3665 1 9 . 1 1 8 8 ASN CA C 8 49.652 49.652 52.435 -2.783 19012 3666 1 9 . 1 1 8 8 ASN CB C 8 38.102 38.102 42.488 -4.386 19012 3667 1 9 . 1 1 8 8 ASN H H 8 9.218 9.218 8.529 0.689 19012 3668 1 9 . 1 1 9 9 SER N N 9 109.319 109.319 117.597 -8.278 19012 3669 1 9 . 1 1 9 9 SER HA H 9 4.045 4.045 4.214 -0.169 19012 3670 1 9 . 1 1 9 9 SER CA C 9 58.381 58.381 62.151 -3.771 19012 3671 1 9 . 1 1 9 9 SER CB C 9 60.521 60.521 63.394 -2.873 19012 3672 1 9 . 1 1 9 9 SER H H 9 8.268 8.268 8.970 -0.702 19012 3673 1 9 . 1 1 10 10 ASN N N 10 117.403 117.403 117.389 0.014 19012 3674 1 9 . 1 1 10 10 ASN HA H 10 4.872 4.872 4.659 0.213 19012 3675 1 9 . 1 1 10 10 ASN CA C 10 52.508 52.508 55.385 -2.877 19012 3676 1 9 . 1 1 10 10 ASN CB C 10 37.905 37.905 37.864 0.041 19012 3677 1 9 . 1 1 10 10 ASN H H 10 8.610 8.610 8.753 -0.143 19012 3678 1 9 . 1 1 11 11 ASN N N 11 119.053 119.053 118.700 0.353 19012 3679 1 9 . 1 1 11 11 ASN HA H 11 4.396 4.396 4.569 -0.173 19012 3680 1 9 . 1 1 11 11 ASN CA C 11 51.832 51.832 55.400 -3.568 19012 3681 1 9 . 1 1 11 11 ASN CB C 11 34.355 34.355 38.570 -4.215 19012 3682 1 9 . 1 1 11 11 ASN H H 11 8.614 8.614 7.879 0.735 19012 3683 1 9 . 1 1 12 12 ILE N N 12 117.943 117.943 117.786 0.157 19012 3684 1 9 . 1 1 12 12 ILE HA H 12 4.185 4.185 4.241 -0.056 19012 3685 1 9 . 1 1 12 12 ILE CA C 12 55.309 55.309 60.722 -5.413 19012 3686 1 9 . 1 1 12 12 ILE CB C 12 36.651 36.651 38.488 -1.837 19012 3687 1 9 . 1 1 12 12 ILE H H 12 7.041 7.041 7.299 -0.258 19012 3688 1 9 . 1 1 13 13 ILE N N 13 118.354 118.354 121.108 -2.754 19012 3689 1 9 . 1 1 13 13 ILE HA H 13 3.800 3.800 4.194 -0.394 19012 3690 1 9 . 1 1 13 13 ILE CA C 13 58.469 58.469 60.733 -2.264 19012 3691 1 9 . 1 1 13 13 ILE CB C 13 34.584 34.584 35.240 -0.656 19012 3692 1 9 . 1 1 13 13 ILE H H 13 6.635 6.635 7.276 -0.641 19012 3693 1 9 . 1 1 14 14 GLY N N 14 114.150 114.150 114.891 -0.741 19012 3694 1 9 . 1 1 14 14 GLY CA C 14 41.496 41.496 45.023 -3.527 19012 3695 1 9 . 1 1 14 14 GLY H H 14 8.842 8.842 8.389 0.453 19012 3696 1 9 . 1 1 15 15 TYR N N 15 119.014 119.014 119.077 -0.063 19012 3697 1 9 . 1 1 15 15 TYR HA H 15 4.961 4.961 5.223 -0.262 19012 3698 1 9 . 1 1 15 15 TYR CA C 15 54.499 54.499 56.784 -2.285 19012 3699 1 9 . 1 1 15 15 TYR CB C 15 38.075 38.075 40.646 -2.571 19012 3700 1 9 . 1 1 15 15 TYR H H 15 8.264 8.264 8.438 -0.174 19012 3701 1 9 . 1 1 16 16 TRP N N 16 124.101 124.101 120.189 3.912 19012 3702 1 9 . 1 1 16 16 TRP HA H 16 5.175 5.175 5.554 -0.379 19012 3703 1 9 . 1 1 16 16 TRP CA C 16 52.970 52.970 56.036 -3.066 19012 3704 1 9 . 1 1 16 16 TRP CB C 16 28.341 28.341 33.872 -5.531 19012 3705 1 9 . 1 1 16 16 TRP H H 16 9.497 9.497 8.969 0.528 19012 3706 1 9 . 1 1 17 17 SER N N 17 115.863 115.863 113.015 2.848 19012 3707 1 9 . 1 1 17 17 SER HA H 17 6.272 6.272 5.210 1.062 19012 3708 1 9 . 1 1 17 17 SER CA C 17 53.039 53.039 57.831 -4.792 19012 3709 1 9 . 1 1 17 17 SER CB C 17 63.415 63.415 64.961 -1.546 19012 3710 1 9 . 1 1 17 17 SER H H 17 9.182 9.182 8.852 0.330 19012 3711 1 9 . 1 1 18 18 THR N N 18 119.520 119.520 116.898 2.622 19012 3712 1 9 . 1 1 18 18 THR CB C 18 67.199 67.199 69.561 -2.362 19012 3713 1 9 . 1 1 18 18 THR H H 18 8.996 8.996 8.530 0.466 19012 3714 1 9 . 1 1 19 19 GLY N N 19 110.006 110.006 110.911 -0.905 19012 3715 1 9 . 1 1 19 19 GLY CA C 19 42.615 42.615 45.624 -3.009 19012 3716 1 9 . 1 1 19 19 GLY H H 19 8.206 8.206 7.728 0.478 19012 3717 1 9 . 1 1 20 20 ILE N N 20 111.313 111.313 112.976 -1.663 19012 3718 1 9 . 1 1 20 20 ILE HA H 20 3.519 3.519 3.652 -0.133 19012 3719 1 9 . 1 1 20 20 ILE CA C 20 57.765 57.765 60.284 -2.519 19012 3720 1 9 . 1 1 20 20 ILE CB C 20 37.839 37.839 39.701 -1.862 19012 3721 1 9 . 1 1 20 20 ILE H H 20 7.953 7.953 8.130 -0.177 19012 3722 1 9 . 1 1 21 21 GLU N N 21 119.547 119.547 119.310 0.237 19012 3723 1 9 . 1 1 21 21 GLU HA H 21 4.463 4.463 4.613 -0.150 19012 3724 1 9 . 1 1 21 21 GLU CA C 21 52.227 52.227 54.910 -2.683 19012 3725 1 9 . 1 1 21 21 GLU CB C 21 29.468 29.468 31.529 -2.061 19012 3726 1 9 . 1 1 21 21 GLU H H 21 7.514 7.514 7.459 0.055 19012 3727 1 9 . 1 1 22 22 GLY N N 22 109.534 109.534 108.851 0.683 19012 3728 1 9 . 1 1 22 22 GLY CA C 22 43.582 43.582 47.097 -3.515 19012 3729 1 9 . 1 1 22 22 GLY H H 22 8.457 8.457 8.750 -0.293 19012 3730 1 9 . 1 1 23 23 THR N N 23 124.632 124.632 118.707 5.925 19012 3731 1 9 . 1 1 23 23 THR HA H 23 5.271 5.271 5.006 0.265 19012 3732 1 9 . 1 1 23 23 THR CA C 23 60.060 60.060 61.373 -1.312 19012 3733 1 9 . 1 1 23 23 THR CB C 23 65.680 65.680 71.130 -5.450 19012 3734 1 9 . 1 1 23 23 THR H H 23 8.881 8.881 8.259 0.622 19012 3735 1 9 . 1 1 24 24 HIS N N 24 122.881 122.881 123.159 -0.278 19012 3736 1 9 . 1 1 24 24 HIS HA H 24 4.780 4.780 5.160 -0.380 19012 3737 1 9 . 1 1 24 24 HIS CA C 24 50.970 50.970 54.070 -3.100 19012 3738 1 9 . 1 1 24 24 HIS CB C 24 27.898 27.898 32.575 -4.677 19012 3739 1 9 . 1 1 24 24 HIS H H 24 8.919 8.919 9.213 -0.294 19012 3740 1 9 . 1 1 25 25 LYS N N 25 119.738 119.738 117.076 2.662 19012 3741 1 9 . 1 1 25 25 LYS HA H 25 5.437 5.437 5.229 0.208 19012 3742 1 9 . 1 1 25 25 LYS CA C 25 52.650 52.650 55.306 -2.656 19012 3743 1 9 . 1 1 25 25 LYS CB C 25 33.277 33.277 36.461 -3.184 19012 3744 1 9 . 1 1 25 25 LYS H H 25 8.816 8.816 8.713 0.103 19012 3745 1 9 . 1 1 26 26 LEU N N 26 126.017 126.017 121.879 4.138 19012 3746 1 9 . 1 1 26 26 LEU HA H 26 5.825 5.825 4.978 0.847 19012 3747 1 9 . 1 1 26 26 LEU CA C 26 51.614 51.614 53.516 -1.902 19012 3748 1 9 . 1 1 26 26 LEU CB C 26 44.544 44.544 45.784 -1.240 19012 3749 1 9 . 1 1 26 26 LEU H H 26 9.420 9.420 8.760 0.660 19012 3750 1 9 . 1 1 27 27 LEU N N 27 128.825 128.825 127.135 1.690 19012 3751 1 9 . 1 1 27 27 LEU HA H 27 5.417 5.417 5.460 -0.043 19012 3752 1 9 . 1 1 27 27 LEU CA C 27 50.740 50.740 53.961 -3.221 19012 3753 1 9 . 1 1 27 27 LEU CB C 27 44.569 44.569 46.113 -1.544 19012 3754 1 9 . 1 1 27 27 LEU H H 27 9.475 9.475 8.856 0.619 19012 3755 1 9 . 1 1 28 28 SER N N 28 117.701 117.701 117.885 -0.184 19012 3756 1 9 . 1 1 28 28 SER HA H 28 5.337 5.337 5.337 -0.000 19012 3757 1 9 . 1 1 28 28 SER CA C 28 53.530 53.530 57.568 -4.038 19012 3758 1 9 . 1 1 28 28 SER CB C 28 63.368 63.368 65.497 -2.129 19012 3759 1 9 . 1 1 28 28 SER H H 28 8.859 8.859 8.407 0.452 19012 3760 1 9 . 1 1 29 29 PHE N N 29 117.319 117.319 123.165 -5.846 19012 3761 1 9 . 1 1 29 29 PHE HA H 29 4.679 4.679 4.916 -0.237 19012 3762 1 9 . 1 1 29 29 PHE CA C 29 54.565 54.565 56.892 -2.328 19012 3763 1 9 . 1 1 29 29 PHE CB C 29 39.104 39.104 41.057 -1.953 19012 3764 1 9 . 1 1 29 29 PHE H H 29 8.401 8.401 9.453 -1.052 19012 3765 1 9 . 1 1 30 30 ASP N N 30 123.741 123.741 126.075 -2.334 19012 3766 1 9 . 1 1 30 30 ASP HA H 30 5.217 5.217 4.741 0.476 19012 3767 1 9 . 1 1 30 30 ASP CA C 30 50.408 50.408 53.971 -3.563 19012 3768 1 9 . 1 1 30 30 ASP CB C 30 41.148 41.148 41.724 -0.576 19012 3769 1 9 . 1 1 30 30 ASP H H 30 9.573 9.573 8.462 1.111 19012 3770 1 9 . 1 1 31 31 GLU N N 31 127.123 127.123 120.771 6.352 19012 3771 1 9 . 1 1 31 31 GLU HA H 31 4.127 4.127 4.228 -0.101 19012 3772 1 9 . 1 1 31 31 GLU CA C 31 56.324 56.324 58.897 -2.572 19012 3773 1 9 . 1 1 31 31 GLU CB C 31 27.283 27.283 30.123 -2.840 19012 3774 1 9 . 1 1 31 31 GLU H H 31 9.718 9.718 8.572 1.146 19012 3775 1 9 . 1 1 32 32 ASP N N 32 119.011 119.011 114.578 4.433 19012 3776 1 9 . 1 1 32 32 ASP HA H 32 4.443 4.443 4.779 -0.337 19012 3777 1 9 . 1 1 32 32 ASP CA C 32 50.919 50.919 54.015 -3.096 19012 3778 1 9 . 1 1 32 32 ASP CB C 32 37.344 37.344 40.587 -3.243 19012 3779 1 9 . 1 1 32 32 ASP H H 32 8.911 8.911 8.069 0.842 19012 3780 1 9 . 1 1 33 33 GLY N N 33 106.215 106.215 109.073 -2.858 19012 3781 1 9 . 1 1 33 33 GLY CA C 33 43.879 43.879 45.504 -1.625 19012 3782 1 9 . 1 1 33 33 GLY H H 33 7.781 7.781 7.876 -0.095 19012 3783 1 9 . 1 1 34 34 THR N N 34 111.570 111.570 111.489 0.081 19012 3784 1 9 . 1 1 34 34 THR HA H 34 5.474 5.474 4.438 1.036 19012 3785 1 9 . 1 1 34 34 THR CA C 34 57.389 57.389 60.563 -3.174 19012 3786 1 9 . 1 1 34 34 THR CB C 34 69.991 69.991 71.323 -1.332 19012 3787 1 9 . 1 1 34 34 THR H H 34 7.863 7.863 7.490 0.372 19012 3788 1 9 . 1 1 35 35 GLY N N 35 106.781 106.781 106.349 0.432 19012 3789 1 9 . 1 1 35 35 GLY CA C 35 43.233 43.233 43.569 -0.336 19012 3790 1 9 . 1 1 35 35 GLY H H 35 8.235 8.235 7.839 0.396 19012 3791 1 9 . 1 1 36 36 SER N N 36 113.807 113.807 112.836 0.971 19012 3792 1 9 . 1 1 36 36 SER HA H 36 4.659 4.659 4.944 -0.285 19012 3793 1 9 . 1 1 36 36 SER CA C 36 54.509 54.509 56.377 -1.868 19012 3794 1 9 . 1 1 36 36 SER CB C 36 64.821 64.821 66.816 -1.995 19012 3795 1 9 . 1 1 36 36 SER H H 36 8.182 8.182 8.640 -0.458 19012 3796 1 9 . 1 1 37 37 PHE N N 37 120.041 120.041 122.535 -2.494 19012 3797 1 9 . 1 1 37 37 PHE HA H 37 5.885 5.885 5.170 0.715 19012 3798 1 9 . 1 1 37 37 PHE CA C 37 52.308 52.308 56.147 -3.839 19012 3799 1 9 . 1 1 37 37 PHE CB C 37 41.174 41.174 42.804 -1.631 19012 3800 1 9 . 1 1 37 37 PHE H H 37 8.829 8.829 8.799 0.030 19012 3801 1 9 . 1 1 38 38 GLY N N 38 115.263 115.263 115.806 -0.543 19012 3802 1 9 . 1 1 38 38 GLY CA C 38 42.092 42.092 43.544 -1.452 19012 3803 1 9 . 1 1 38 38 GLY H H 38 8.936 8.936 8.874 0.062 19012 3804 1 9 . 1 1 39 39 ILE N N 39 119.791 119.791 125.457 -5.666 19012 3805 1 9 . 1 1 39 39 ILE HA H 39 4.292 4.292 4.340 -0.048 19012 3806 1 9 . 1 1 39 39 ILE CA C 39 58.280 58.280 61.205 -2.925 19012 3807 1 9 . 1 1 39 39 ILE CB C 39 36.838 36.838 38.909 -2.071 19012 3808 1 9 . 1 1 39 39 ILE H H 39 7.724 7.724 7.525 0.199 19012 3809 1 9 . 1 1 40 40 TYR N N 40 125.748 125.748 124.508 1.240 19012 3810 1 9 . 1 1 40 40 TYR HA H 40 4.742 4.742 4.969 -0.227 19012 3811 1 9 . 1 1 40 40 TYR CA C 40 53.881 53.881 56.568 -2.687 19012 3812 1 9 . 1 1 40 40 TYR CB C 40 39.894 39.894 42.585 -2.691 19012 3813 1 9 . 1 1 40 40 TYR H H 40 8.782 8.782 8.996 -0.214 19012 3814 1 9 . 1 1 41 41 SER N N 41 114.721 114.721 116.321 -1.600 19012 3815 1 9 . 1 1 41 41 SER HA H 41 4.689 4.689 5.108 -0.419 19012 3816 1 9 . 1 1 41 41 SER CA C 41 53.337 53.337 56.988 -3.651 19012 3817 1 9 . 1 1 41 41 SER CB C 41 60.205 60.205 64.558 -4.353 19012 3818 1 9 . 1 1 41 41 SER H H 41 8.708 8.708 8.860 -0.152 19012 3819 1 9 . 1 1 42 42 ASN N N 42 124.063 124.063 125.850 -1.787 19012 3820 1 9 . 1 1 42 42 ASN HA H 42 4.298 4.298 4.369 -0.071 19012 3821 1 9 . 1 1 42 42 ASN CA C 42 54.083 54.083 56.722 -2.639 19012 3822 1 9 . 1 1 42 42 ASN CB C 42 34.720 34.720 38.160 -3.440 19012 3823 1 9 . 1 1 42 42 ASN H H 42 9.239 9.239 9.159 0.080 19012 3824 1 9 . 1 1 43 43 ALA N N 43 125.505 125.505 122.555 2.950 19012 3825 1 9 . 1 1 43 43 ALA HA H 43 4.576 4.576 4.705 -0.129 19012 3826 1 9 . 1 1 43 43 ALA CA C 43 50.170 50.170 52.092 -1.922 19012 3827 1 9 . 1 1 43 43 ALA CB C 43 16.678 16.678 20.698 -4.020 19012 3828 1 9 . 1 1 43 43 ALA H H 43 8.468 8.468 8.027 0.441 19012 3829 1 9 . 1 1 44 44 THR N N 44 119.056 119.056 117.140 1.916 19012 3830 1 9 . 1 1 44 44 THR HA H 44 4.550 4.550 4.793 -0.243 19012 3831 1 9 . 1 1 44 44 THR CA C 44 58.028 58.028 59.484 -1.456 19012 3832 1 9 . 1 1 44 44 THR CB C 44 68.176 68.176 70.691 -2.515 19012 3833 1 9 . 1 1 44 44 THR H H 44 8.420 8.420 8.200 0.220 19012 3834 1 9 . 1 1 45 45 PRO HA H 45 3.797 3.797 4.300 -0.503 19012 3835 1 9 . 1 1 45 45 PRO CA C 45 60.280 60.280 63.136 -2.856 19012 3836 1 9 . 1 1 45 45 PRO CB C 45 28.488 28.488 32.308 -3.820 19012 3837 1 9 . 1 1 46 46 ILE N N 46 124.607 124.607 122.056 2.551 19012 3838 1 9 . 1 1 46 46 ILE HA H 46 4.023 4.023 4.367 -0.344 19012 3839 1 9 . 1 1 46 46 ILE CA C 46 58.609 58.609 61.026 -2.417 19012 3840 1 9 . 1 1 46 46 ILE CB C 46 35.652 35.652 38.887 -3.235 19012 3841 1 9 . 1 1 46 46 ILE H H 46 8.998 8.998 8.504 0.494 19012 3842 1 9 . 1 1 47 47 SER N N 47 112.826 112.826 115.700 -2.874 19012 3843 1 9 . 1 1 47 47 SER HA H 47 4.474 4.474 4.638 -0.164 19012 3844 1 9 . 1 1 47 47 SER CA C 47 54.926 54.926 57.592 -2.666 19012 3845 1 9 . 1 1 47 47 SER CB C 47 62.419 62.419 65.245 -2.826 19012 3846 1 9 . 1 1 47 47 SER H H 47 7.439 7.439 7.540 -0.101 19012 3847 1 9 . 1 1 48 48 PHE N N 48 123.266 123.266 122.757 0.509 19012 3848 1 9 . 1 1 48 48 PHE HA H 48 5.194 5.194 4.821 0.373 19012 3849 1 9 . 1 1 48 48 PHE CA C 48 55.624 55.624 58.155 -2.531 19012 3850 1 9 . 1 1 48 48 PHE CB C 48 40.000 40.000 41.872 -1.872 19012 3851 1 9 . 1 1 48 48 PHE H H 48 8.238 8.238 8.421 -0.183 19012 3852 1 9 . 1 1 49 49 GLN N N 49 123.564 123.564 122.340 1.224 19012 3853 1 9 . 1 1 49 49 GLN HA H 49 4.935 4.935 4.788 0.147 19012 3854 1 9 . 1 1 49 49 GLN CA C 49 51.294 51.294 54.848 -3.554 19012 3855 1 9 . 1 1 49 49 GLN CB C 49 29.688 29.688 32.180 -2.492 19012 3856 1 9 . 1 1 49 49 GLN H H 49 8.607 8.607 8.171 0.436 19012 3857 1 9 . 1 1 50 50 MET N N 50 120.626 120.626 117.898 2.728 19012 3858 1 9 . 1 1 50 50 MET HA H 50 4.637 4.637 5.182 -0.545 19012 3859 1 9 . 1 1 50 50 MET CA C 50 51.562 51.562 54.765 -3.203 19012 3860 1 9 . 1 1 50 50 MET CB C 50 33.549 33.549 37.690 -4.141 19012 3861 1 9 . 1 1 50 50 MET H H 50 9.071 9.071 8.365 0.706 19012 3862 1 9 . 1 1 51 51 PHE N N 51 112.996 112.996 114.699 -1.703 19012 3863 1 9 . 1 1 51 51 PHE HA H 51 4.928 4.928 5.117 -0.189 19012 3864 1 9 . 1 1 51 51 PHE CA C 51 53.899 53.899 56.460 -2.561 19012 3865 1 9 . 1 1 51 51 PHE CB C 51 38.018 38.018 41.010 -2.992 19012 3866 1 9 . 1 1 52 52 ASP N N 52 118.727 118.727 119.579 -0.852 19012 3867 1 9 . 1 1 52 52 ASP HA H 52 5.640 5.640 4.494 1.146 19012 3868 1 9 . 1 1 52 52 ASP CA C 52 50.264 50.264 52.298 -2.034 19012 3869 1 9 . 1 1 52 52 ASP CB C 52 38.971 38.971 43.886 -4.915 19012 3870 1 9 . 1 1 52 52 ASP H H 52 8.469 8.469 7.843 0.626 19012 3871 1 9 . 1 1 53 53 TYR N N 53 115.709 115.709 115.870 -0.161 19012 3872 1 9 . 1 1 53 53 TYR HA H 53 6.351 6.351 5.591 0.760 19012 3873 1 9 . 1 1 53 53 TYR CA C 53 53.296 53.296 56.257 -2.961 19012 3874 1 9 . 1 1 53 53 TYR CB C 53 40.764 40.764 42.312 -1.548 19012 3875 1 9 . 1 1 53 53 TYR H H 53 8.725 8.725 8.259 0.466 19012 3876 1 9 . 1 1 54 54 LYS N N 54 118.766 118.766 119.516 -0.750 19012 3877 1 9 . 1 1 54 54 LYS HA H 54 4.445 4.445 4.883 -0.438 19012 3878 1 9 . 1 1 54 54 LYS CA C 54 52.187 52.187 54.906 -2.719 19012 3879 1 9 . 1 1 54 54 LYS CB C 54 34.819 34.819 36.804 -1.985 19012 3880 1 9 . 1 1 54 54 LYS H H 54 8.972 8.972 8.973 -0.001 19012 3881 1 9 . 1 1 55 55 ILE N N 55 122.406 122.406 122.213 0.193 19012 3882 1 9 . 1 1 55 55 ILE HA H 55 4.796 4.796 5.167 -0.371 19012 3883 1 9 . 1 1 55 55 ILE CA C 55 56.172 56.172 59.675 -3.503 19012 3884 1 9 . 1 1 55 55 ILE CB C 55 33.404 33.404 36.831 -3.427 19012 3885 1 9 . 1 1 55 55 ILE H H 55 8.832 8.832 8.656 0.176 19012 3886 1 9 . 1 1 56 56 GLU N N 56 128.507 128.507 126.857 1.650 19012 3887 1 9 . 1 1 56 56 GLU HA H 56 4.575 4.575 4.556 0.019 19012 3888 1 9 . 1 1 56 56 GLU CA C 56 52.300 52.300 56.265 -3.965 19012 3889 1 9 . 1 1 56 56 GLU CB C 56 30.432 30.432 31.144 -0.712 19012 3890 1 9 . 1 1 56 56 GLU H H 56 8.787 8.787 8.965 -0.178 19012 3891 1 9 . 1 1 57 57 GLU N N 57 125.606 125.606 117.976 7.630 19012 3892 1 9 . 1 1 57 57 GLU HA H 57 3.809 3.809 4.346 -0.537 19012 3893 1 9 . 1 1 57 57 GLU CA C 57 54.254 54.254 57.234 -2.980 19012 3894 1 9 . 1 1 57 57 GLU CB C 57 25.445 25.445 30.029 -4.584 19012 3895 1 9 . 1 1 57 57 GLU H H 57 9.296 9.296 8.359 0.937 19012 3896 1 9 . 1 1 58 58 GLY N N 58 103.913 103.913 107.221 -3.308 19012 3897 1 9 . 1 1 58 58 GLY CA C 58 43.401 43.401 45.855 -2.454 19012 3898 1 9 . 1 1 58 58 GLY H H 58 8.267 8.267 8.542 -0.275 19012 3899 1 9 . 1 1 59 59 ARG N N 59 119.125 119.125 117.096 2.029 19012 3900 1 9 . 1 1 59 59 ARG HA H 59 4.787 4.787 4.673 0.114 19012 3901 1 9 . 1 1 59 59 ARG CA C 59 51.812 51.812 54.382 -2.570 19012 3902 1 9 . 1 1 59 59 ARG CB C 59 32.023 32.023 33.947 -1.924 19012 3903 1 9 . 1 1 59 59 ARG H H 59 7.840 7.840 7.564 0.276 19012 3904 1 9 . 1 1 60 60 ILE N N 60 118.464 118.464 120.631 -2.167 19012 3905 1 9 . 1 1 60 60 ILE HA H 60 4.409 4.409 4.654 -0.245 19012 3906 1 9 . 1 1 60 60 ILE CA C 60 58.461 58.461 60.956 -2.495 19012 3907 1 9 . 1 1 60 60 ILE CB C 60 36.943 36.943 38.865 -1.923 19012 3908 1 9 . 1 1 60 60 ILE H H 60 8.150 8.150 8.482 -0.332 19012 3909 1 9 . 1 1 61 61 TYR N N 61 130.267 130.267 130.525 -0.258 19012 3910 1 9 . 1 1 61 61 TYR HA H 61 4.399 4.399 4.508 -0.109 19012 3911 1 9 . 1 1 61 61 TYR CA C 61 53.435 53.435 56.837 -3.401 19012 3912 1 9 . 1 1 61 61 TYR CB C 61 37.443 37.443 38.705 -1.262 19012 3913 1 9 . 1 1 61 61 TYR H H 61 9.304 9.304 9.261 0.043 19012 3914 1 9 . 1 1 62 62 ILE N N 62 129.152 129.152 127.753 1.399 19012 3915 1 9 . 1 1 62 62 ILE HA H 62 4.035 4.035 4.085 -0.050 19012 3916 1 9 . 1 1 62 62 ILE CA C 62 55.538 55.538 58.859 -3.321 19012 3917 1 9 . 1 1 62 62 ILE CB C 62 33.654 33.654 36.702 -3.048 19012 3918 1 9 . 1 1 62 62 ILE H H 62 8.326 8.326 8.589 -0.263 19012 3919 1 9 . 1 1 63 63 TYR N N 63 119.836 119.836 120.971 -1.135 19012 3920 1 9 . 1 1 63 63 TYR HA H 63 4.563 4.563 4.434 0.129 19012 3921 1 9 . 1 1 63 63 TYR CA C 63 52.035 52.035 56.549 -4.514 19012 3922 1 9 . 1 1 63 63 TYR CB C 63 36.267 36.267 40.323 -4.056 19012 3923 1 9 . 1 1 63 63 TYR H H 63 8.397 8.397 8.087 0.310 19012 3924 1 9 . 1 1 64 64 ASP N N 64 117.747 117.747 121.505 -3.758 19012 3925 1 9 . 1 1 64 64 ASP HA H 64 4.270 4.270 4.687 -0.417 19012 3926 1 9 . 1 1 64 64 ASP CA C 64 51.384 51.384 54.068 -2.684 19012 3927 1 9 . 1 1 64 64 ASP CB C 64 35.510 35.510 41.919 -6.409 19012 3928 1 9 . 1 1 64 64 ASP H H 64 8.570 8.570 7.753 0.817 19012 3929 1 9 . 1 1 65 65 VAL N N 65 117.619 117.619 123.377 -5.758 19012 3930 1 9 . 1 1 65 65 VAL HA H 65 4.329 4.329 4.781 -0.452 19012 3931 1 9 . 1 1 65 65 VAL CA C 65 61.015 61.015 60.428 0.587 19012 3932 1 9 . 1 1 65 65 VAL CB C 65 29.350 29.350 34.485 -5.135 19012 3933 1 9 . 1 1 65 65 VAL H H 65 8.116 8.116 8.113 0.003 19012 3934 1 9 . 1 1 66 66 TYR N N 66 127.317 127.317 126.366 0.951 19012 3935 1 9 . 1 1 66 66 TYR HA H 66 4.567 4.567 5.124 -0.557 19012 3936 1 9 . 1 1 66 66 TYR CA C 66 53.116 53.116 55.837 -2.721 19012 3937 1 9 . 1 1 66 66 TYR CB C 66 39.090 39.090 40.850 -1.760 19012 3938 1 9 . 1 1 66 66 TYR H H 66 8.911 8.911 8.879 0.032 19012 3939 1 9 . 1 1 67 67 PRO HA H 67 3.778 3.778 4.072 -0.294 19012 3940 1 9 . 1 1 67 67 PRO CA C 67 60.736 60.736 63.700 -2.964 19012 3941 1 9 . 1 1 67 67 PRO CB C 67 32.039 32.039 31.588 0.451 19012 3942 1 9 . 1 1 68 68 ASP N N 68 122.446 122.446 120.129 2.317 19012 3943 1 9 . 1 1 68 68 ASP HA H 68 4.595 4.595 4.784 -0.189 19012 3944 1 9 . 1 1 68 68 ASP CA C 68 51.405 51.405 53.124 -1.719 19012 3945 1 9 . 1 1 68 68 ASP CB C 68 37.732 37.732 41.812 -4.080 19012 3946 1 9 . 1 1 68 68 ASP H H 68 8.017 8.017 7.875 0.142 19012 3947 1 9 . 1 1 69 69 GLU N N 69 121.842 121.842 121.122 0.720 19012 3948 1 9 . 1 1 69 69 GLU HA H 69 4.167 4.167 4.412 -0.245 19012 3949 1 9 . 1 1 69 69 GLU CA C 69 54.191 54.191 56.739 -2.547 19012 3950 1 9 . 1 1 69 69 GLU CB C 69 27.200 27.200 30.683 -3.483 19012 3951 1 9 . 1 1 69 69 GLU H H 69 8.109 8.109 8.468 -0.359 19012 3952 1 9 . 1 1 70 70 LYS N N 70 121.975 121.975 122.626 -0.651 19012 3953 1 9 . 1 1 70 70 LYS HA H 70 4.532 4.532 4.460 0.072 19012 3954 1 9 . 1 1 70 70 LYS CA C 70 52.097 52.097 54.777 -2.680 19012 3955 1 9 . 1 1 70 70 LYS CB C 70 33.247 33.247 34.307 -1.060 19012 3956 1 9 . 1 1 70 70 LYS H H 70 7.646 7.646 8.277 -0.631 19012 3957 1 9 . 1 1 71 71 THR N N 71 120.177 120.177 117.071 3.106 19012 3958 1 9 . 1 1 71 71 THR HA H 71 4.386 4.386 4.342 0.044 19012 3959 1 9 . 1 1 71 71 THR CA C 71 58.759 58.759 60.761 -2.002 19012 3960 1 9 . 1 1 71 71 THR CB C 71 66.724 66.724 69.336 -2.612 19012 3961 1 9 . 1 1 71 71 THR H H 71 8.258 8.258 8.318 -0.060 19012 3962 1 9 . 1 1 72 72 PRO HA H 72 4.389 4.389 4.149 0.240 19012 3963 1 9 . 1 1 72 72 PRO CA C 72 61.688 61.688 62.976 -1.288 19012 3964 1 9 . 1 1 72 72 PRO CB C 72 31.440 31.440 32.261 -0.821 19012 3965 1 9 . 1 1 73 73 TYR N N 73 118.747 118.747 116.385 2.362 19012 3966 1 9 . 1 1 73 73 TYR HA H 73 4.857 4.857 4.768 0.089 19012 3967 1 9 . 1 1 73 73 TYR CA C 73 52.643 52.643 55.893 -3.250 19012 3968 1 9 . 1 1 73 73 TYR CB C 73 37.470 37.470 39.317 -1.847 19012 3969 1 9 . 1 1 73 73 TYR H H 73 7.988 7.988 7.806 0.182 19012 3970 1 9 . 1 1 74 74 TYR N N 74 114.692 114.692 119.073 -4.381 19012 3971 1 9 . 1 1 74 74 TYR HA H 74 5.548 5.548 5.659 -0.111 19012 3972 1 9 . 1 1 74 74 TYR CA C 74 53.855 53.855 57.569 -3.714 19012 3973 1 9 . 1 1 74 74 TYR CB C 74 39.316 39.316 40.982 -1.666 19012 3974 1 9 . 1 1 74 74 TYR H H 74 8.370 8.370 8.522 -0.152 19012 3975 1 9 . 1 1 75 75 LEU N N 75 120.717 120.717 123.586 -2.869 19012 3976 1 9 . 1 1 75 75 LEU HA H 75 4.456 4.456 4.722 -0.266 19012 3977 1 9 . 1 1 75 75 LEU CA C 75 50.648 50.648 53.832 -3.184 19012 3978 1 9 . 1 1 75 75 LEU CB C 75 41.979 41.979 45.306 -3.326 19012 3979 1 9 . 1 1 75 75 LEU H H 75 9.467 9.467 9.059 0.408 19012 3980 1 9 . 1 1 76 76 ASP N N 76 123.675 123.675 126.748 -3.073 19012 3981 1 9 . 1 1 76 76 ASP HA H 76 5.041 5.041 4.699 0.342 19012 3982 1 9 . 1 1 76 76 ASP CA C 76 51.324 51.324 55.234 -3.910 19012 3983 1 9 . 1 1 76 76 ASP CB C 76 39.376 39.376 40.606 -1.230 19012 3984 1 9 . 1 1 76 76 ASP H H 76 7.825 7.825 8.798 -0.973 19012 3985 1 9 . 1 1 77 77 CYS N N 77 118.147 118.147 119.324 -1.177 19012 3986 1 9 . 1 1 77 77 CYS HA H 77 5.514 5.514 5.291 0.223 19012 3987 1 9 . 1 1 77 77 CYS CA C 77 53.205 53.205 55.470 -2.265 19012 3988 1 9 . 1 1 77 77 CYS CB C 77 30.347 30.347 31.843 -1.496 19012 3989 1 9 . 1 1 77 77 CYS H H 77 8.504 8.504 8.468 0.036 19012 3990 1 9 . 1 1 78 78 LYS N N 78 119.791 119.791 118.380 1.411 19012 3991 1 9 . 1 1 78 78 LYS HA H 78 4.398 4.398 4.530 -0.132 19012 3992 1 9 . 1 1 78 78 LYS CA C 78 52.033 52.033 54.663 -2.630 19012 3993 1 9 . 1 1 78 78 LYS CB C 78 33.618 33.618 35.011 -1.393 19012 3994 1 9 . 1 1 78 78 LYS H H 78 8.483 8.483 8.291 0.192 19012 3995 1 9 . 1 1 79 79 ILE N N 79 122.179 122.179 119.443 2.736 19012 3996 1 9 . 1 1 79 79 ILE HA H 79 5.410 5.410 4.914 0.496 19012 3997 1 9 . 1 1 79 79 ILE CA C 79 56.581 56.581 59.651 -3.071 19012 3998 1 9 . 1 1 79 79 ILE CB C 79 41.302 41.302 41.905 -0.603 19012 3999 1 9 . 1 1 79 79 ILE H H 79 8.923 8.923 8.661 0.262 19012 4000 1 9 . 1 1 80 80 SER N N 80 122.640 122.640 119.510 3.130 19012 4001 1 9 . 1 1 80 80 SER HA H 80 4.760 4.760 5.249 -0.489 19012 4002 1 9 . 1 1 80 80 SER CB C 80 62.504 62.504 65.361 -2.857 19012 4003 1 9 . 1 1 80 80 SER H H 80 9.150 9.150 8.916 0.234 19012 4004 1 9 . 1 1 81 81 GLY N N 81 111.781 111.781 110.545 1.236 19012 4005 1 9 . 1 1 81 81 GLY CA C 81 44.910 44.910 45.820 -0.910 19012 4006 1 9 . 1 1 81 81 GLY H H 81 8.832 8.832 8.060 0.772 19012 4007 1 9 . 1 1 82 82 THR N N 82 110.902 110.902 113.999 -3.097 19012 4008 1 9 . 1 1 82 82 THR HA H 82 4.541 4.541 4.365 0.176 19012 4009 1 9 . 1 1 82 82 THR CA C 82 58.833 58.833 61.862 -3.029 19012 4010 1 9 . 1 1 82 82 THR H H 82 8.284 8.284 8.122 0.162 19012 4011 1 9 . 1 1 83 83 THR N N 83 119.808 119.808 117.669 2.139 19012 4012 1 9 . 1 1 83 83 THR HA H 83 5.576 5.576 5.446 0.130 19012 4013 1 9 . 1 1 83 83 THR CA C 83 59.711 59.711 62.138 -2.427 19012 4014 1 9 . 1 1 83 83 THR CB C 83 68.486 68.486 71.748 -3.261 19012 4015 1 9 . 1 1 83 83 THR H H 83 8.178 8.178 7.720 0.458 19012 4016 1 9 . 1 1 84 84 LEU N N 84 128.946 128.946 126.852 2.094 19012 4017 1 9 . 1 1 84 84 LEU HA H 84 4.787 4.787 4.433 0.354 19012 4018 1 9 . 1 1 84 84 LEU CA C 84 50.979 50.979 53.336 -2.357 19012 4019 1 9 . 1 1 84 84 LEU CB C 84 43.114 43.114 43.863 -0.749 19012 4020 1 9 . 1 1 84 84 LEU H H 84 9.103 9.103 8.722 0.381 19012 4021 1 9 . 1 1 85 85 LYS N N 85 129.439 129.439 127.261 2.178 19012 4022 1 9 . 1 1 85 85 LYS HA H 85 5.220 5.220 4.649 0.571 19012 4023 1 9 . 1 1 85 85 LYS CA C 85 52.028 52.028 54.376 -2.348 19012 4024 1 9 . 1 1 85 85 LYS CB C 85 32.656 32.656 33.065 -0.409 19012 4025 1 9 . 1 1 85 85 LYS H H 85 9.336 9.336 8.567 0.769 19012 4026 1 9 . 1 1 86 86 VAL N N 86 127.719 127.719 127.407 0.312 19012 4027 1 9 . 1 1 86 86 VAL HA H 86 4.279 4.279 3.793 0.486 19012 4028 1 9 . 1 1 86 86 VAL CA C 86 59.179 59.179 63.499 -4.320 19012 4029 1 9 . 1 1 86 86 VAL CB C 86 29.826 29.826 31.823 -1.998 19012 4030 1 9 . 1 1 86 86 VAL H H 86 9.122 9.122 8.444 0.678 19012 4031 1 9 . 1 1 87 87 GLU N N 87 126.504 126.504 127.653 -1.149 19012 4032 1 9 . 1 1 87 87 GLU HA H 87 4.215 4.215 4.431 -0.216 19012 4033 1 9 . 1 1 87 87 GLU CA C 87 55.427 55.427 57.438 -2.010 19012 4034 1 9 . 1 1 87 87 GLU CB C 87 29.038 29.038 31.127 -2.089 19012 4035 1 9 . 1 1 87 87 GLU H H 87 8.960 8.960 8.899 0.061 19012 4036 1 9 . 1 1 88 88 THR N N 88 109.146 109.146 111.156 -2.010 19012 4037 1 9 . 1 1 88 88 THR HA H 88 4.560 4.560 4.472 0.088 19012 4038 1 9 . 1 1 88 88 THR CA C 88 57.802 57.802 60.889 -3.087 19012 4039 1 9 . 1 1 88 88 THR CB C 88 69.805 69.805 70.307 -0.502 19012 4040 1 9 . 1 1 88 88 THR H H 88 7.079 7.079 7.504 -0.425 19012 4041 1 9 . 1 1 89 89 GLY N N 89 102.665 102.665 109.476 -6.811 19012 4042 1 9 . 1 1 89 89 GLY CA C 89 42.083 42.083 44.674 -2.591 19012 4043 1 9 . 1 1 89 89 GLY H H 89 7.984 7.984 8.180 -0.196 19012 4044 1 9 . 1 1 90 90 SER N N 90 118.973 118.973 116.259 2.714 19012 4045 1 9 . 1 1 90 90 SER HA H 90 4.103 4.103 4.254 -0.151 19012 4046 1 9 . 1 1 90 90 SER CA C 90 58.840 58.840 60.566 -1.726 19012 4047 1 9 . 1 1 90 90 SER CB C 90 60.079 60.079 62.776 -2.697 19012 4048 1 9 . 1 1 90 90 SER H H 90 8.854 8.854 8.645 0.209 19012 4049 1 9 . 1 1 91 91 GLU N N 91 120.699 120.699 119.558 1.141 19012 4050 1 9 . 1 1 91 91 GLU HA H 91 3.676 3.676 4.606 -0.930 19012 4051 1 9 . 1 1 91 91 GLU CA C 91 54.571 54.571 55.237 -0.666 19012 4052 1 9 . 1 1 91 91 GLU CB C 91 26.627 26.627 29.729 -3.102 19012 4053 1 9 . 1 1 91 91 GLU H H 91 10.220 10.220 8.278 1.942 19012 4054 1 9 . 1 1 92 92 ALA N N 92 121.411 121.411 123.208 -1.797 19012 4055 1 9 . 1 1 92 92 ALA HA H 92 3.691 3.691 4.211 -0.520 19012 4056 1 9 . 1 1 92 92 ALA CA C 92 50.916 50.916 53.275 -2.359 19012 4057 1 9 . 1 1 92 92 ALA CB C 92 16.118 16.118 18.209 -2.091 19012 4058 1 9 . 1 1 92 92 ALA H H 92 7.014 7.014 7.552 -0.538 19012 4059 1 9 . 1 1 93 93 GLY N N 93 109.056 109.056 112.603 -3.547 19012 4060 1 9 . 1 1 93 93 GLY CA C 93 42.601 42.601 45.547 -2.946 19012 4061 1 9 . 1 1 93 93 GLY H H 93 8.706 8.706 8.177 0.529 19012 4062 1 9 . 1 1 94 94 THR N N 94 117.255 117.255 115.583 1.672 19012 4063 1 9 . 1 1 94 94 THR HA H 94 4.831 4.831 5.232 -0.401 19012 4064 1 9 . 1 1 94 94 THR CA C 94 60.491 60.491 60.268 0.223 19012 4065 1 9 . 1 1 94 94 THR CB C 94 66.403 66.403 70.255 -3.852 19012 4066 1 9 . 1 1 94 94 THR H H 94 8.637 8.637 8.014 0.623 19012 4067 1 9 . 1 1 95 95 TYR N N 95 127.051 127.051 126.344 0.707 19012 4068 1 9 . 1 1 95 95 TYR HA H 95 4.564 4.564 5.559 -0.995 19012 4069 1 9 . 1 1 95 95 TYR CA C 95 53.889 53.889 56.151 -2.262 19012 4070 1 9 . 1 1 95 95 TYR CB C 95 39.733 39.733 42.707 -2.974 19012 4071 1 9 . 1 1 95 95 TYR H H 95 10.060 10.060 8.712 1.348 19012 4072 1 9 . 1 1 96 96 LYS N N 96 119.487 119.487 120.720 -1.233 19012 4073 1 9 . 1 1 96 96 LYS HA H 96 5.668 5.668 5.617 0.051 19012 4074 1 9 . 1 1 96 96 LYS CA C 96 50.781 50.781 54.469 -3.688 19012 4075 1 9 . 1 1 96 96 LYS CB C 96 31.840 31.840 36.780 -4.940 19012 4076 1 9 . 1 1 96 96 LYS H H 96 8.960 8.960 8.752 0.208 19012 4077 1 9 . 1 1 97 97 LYS N N 97 128.866 128.866 122.226 6.640 19012 4078 1 9 . 1 1 97 97 LYS HA H 97 3.701 3.701 4.063 -0.362 19012 4079 1 9 . 1 1 97 97 LYS CA C 97 55.022 55.022 56.519 -1.497 19012 4080 1 9 . 1 1 97 97 LYS CB C 97 30.744 30.744 32.879 -2.135 19012 4081 1 9 . 1 1 97 97 LYS H H 97 8.729 8.729 8.637 0.092 19012 4082 1 9 . 1 1 98 98 GLN N N 98 127.056 127.056 125.135 1.921 19012 4083 1 9 . 1 1 98 98 GLN HA H 98 4.244 4.244 4.603 -0.359 19012 4084 1 9 . 1 1 98 98 GLN CA C 98 52.689 52.689 55.046 -2.357 19012 4085 1 9 . 1 1 98 98 GLN CB C 98 28.065 28.065 29.134 -1.069 19012 4086 1 9 . 1 1 98 98 GLN H H 98 8.992 8.992 8.481 0.511 19012 4087 1 10 . 1 1 2 2 GLU N N 2 119.968 119.968 120.749 -0.781 19012 4088 1 10 . 1 1 2 2 GLU HA H 2 4.009 4.009 4.466 -0.457 19012 4089 1 10 . 1 1 2 2 GLU CA C 2 53.190 53.190 55.733 -2.543 19012 4090 1 10 . 1 1 2 2 GLU CB C 2 27.574 27.574 30.458 -2.884 19012 4091 1 10 . 1 1 2 2 GLU H H 2 8.212 8.212 8.477 -0.265 19012 4092 1 10 . 1 1 3 3 ASP N N 3 122.057 122.057 120.974 1.083 19012 4093 1 10 . 1 1 3 3 ASP HA H 3 4.509 4.509 4.548 -0.039 19012 4094 1 10 . 1 1 3 3 ASP CA C 3 50.691 50.691 53.664 -2.973 19012 4095 1 10 . 1 1 3 3 ASP CB C 3 38.121 38.121 39.796 -1.675 19012 4096 1 10 . 1 1 3 3 ASP H H 3 8.209 8.209 8.243 -0.034 19012 4097 1 10 . 1 1 4 4 TRP N N 4 121.397 121.397 123.311 -1.914 19012 4098 1 10 . 1 1 4 4 TRP HA H 4 4.749 4.749 4.948 -0.199 19012 4099 1 10 . 1 1 4 4 TRP CA C 4 53.792 53.792 56.377 -2.585 19012 4100 1 10 . 1 1 4 4 TRP CB C 4 27.994 27.994 32.312 -4.317 19012 4101 1 10 . 1 1 4 4 TRP H H 4 7.614 7.614 7.827 -0.213 19012 4102 1 10 . 1 1 5 5 THR N N 5 117.669 117.669 116.020 1.649 19012 4103 1 10 . 1 1 5 5 THR HA H 5 4.733 4.733 4.541 0.192 19012 4104 1 10 . 1 1 5 5 THR CA C 5 57.170 57.170 61.437 -4.267 19012 4105 1 10 . 1 1 5 5 THR CB C 5 68.444 68.444 69.751 -1.307 19012 4106 1 10 . 1 1 5 5 THR H H 5 9.387 9.387 8.920 0.467 19012 4107 1 10 . 1 1 6 6 GLU N N 6 121.359 121.359 119.338 2.021 19012 4108 1 10 . 1 1 6 6 GLU HA H 6 4.283 4.283 4.174 0.109 19012 4109 1 10 . 1 1 6 6 GLU CA C 6 53.743 53.743 57.601 -3.858 19012 4110 1 10 . 1 1 6 6 GLU CB C 6 28.184 28.184 30.105 -1.921 19012 4111 1 10 . 1 1 6 6 GLU H H 6 8.027 8.027 8.551 -0.524 19012 4112 1 10 . 1 1 7 7 LEU N N 7 126.701 126.701 122.964 3.737 19012 4113 1 10 . 1 1 7 7 LEU HA H 7 4.217 4.217 4.544 -0.327 19012 4114 1 10 . 1 1 7 7 LEU CA C 7 52.720 52.720 54.529 -1.809 19012 4115 1 10 . 1 1 7 7 LEU CB C 7 40.595 40.595 43.538 -2.942 19012 4116 1 10 . 1 1 7 7 LEU H H 7 8.626 8.626 8.484 0.142 19012 4117 1 10 . 1 1 8 8 ASN N N 8 121.528 121.528 122.217 -0.689 19012 4118 1 10 . 1 1 8 8 ASN HA H 8 4.611 4.611 4.991 -0.380 19012 4119 1 10 . 1 1 8 8 ASN CA C 8 49.652 49.652 52.144 -2.492 19012 4120 1 10 . 1 1 8 8 ASN CB C 8 38.102 38.102 40.731 -2.629 19012 4121 1 10 . 1 1 8 8 ASN H H 8 9.218 9.218 8.525 0.693 19012 4122 1 10 . 1 1 9 9 SER N N 9 109.319 109.319 113.016 -3.697 19012 4123 1 10 . 1 1 9 9 SER HA H 9 4.045 4.045 4.384 -0.339 19012 4124 1 10 . 1 1 9 9 SER CA C 9 58.381 58.381 59.529 -1.148 19012 4125 1 10 . 1 1 9 9 SER CB C 9 60.521 60.521 62.630 -2.109 19012 4126 1 10 . 1 1 9 9 SER H H 9 8.268 8.268 8.726 -0.458 19012 4127 1 10 . 1 1 10 10 ASN N N 10 117.403 117.403 119.351 -1.948 19012 4128 1 10 . 1 1 10 10 ASN HA H 10 4.872 4.872 4.944 -0.072 19012 4129 1 10 . 1 1 10 10 ASN CA C 10 52.508 52.508 54.264 -1.756 19012 4130 1 10 . 1 1 10 10 ASN CB C 10 37.905 37.905 39.983 -2.078 19012 4131 1 10 . 1 1 10 10 ASN H H 10 8.610 8.610 8.324 0.286 19012 4132 1 10 . 1 1 11 11 ASN N N 11 119.053 119.053 118.331 0.722 19012 4133 1 10 . 1 1 11 11 ASN HA H 11 4.396 4.396 4.660 -0.264 19012 4134 1 10 . 1 1 11 11 ASN CA C 11 51.832 51.832 54.957 -3.125 19012 4135 1 10 . 1 1 11 11 ASN CB C 11 34.355 34.355 38.769 -4.414 19012 4136 1 10 . 1 1 11 11 ASN H H 11 8.614 8.614 9.161 -0.547 19012 4137 1 10 . 1 1 12 12 ILE N N 12 117.943 117.943 119.153 -1.210 19012 4138 1 10 . 1 1 12 12 ILE HA H 12 4.185 4.185 4.088 0.097 19012 4139 1 10 . 1 1 12 12 ILE CA C 12 55.309 55.309 61.207 -5.898 19012 4140 1 10 . 1 1 12 12 ILE CB C 12 36.651 36.651 38.168 -1.517 19012 4141 1 10 . 1 1 12 12 ILE H H 12 7.041 7.041 7.399 -0.358 19012 4142 1 10 . 1 1 13 13 ILE N N 13 118.354 118.354 120.083 -1.729 19012 4143 1 10 . 1 1 13 13 ILE HA H 13 3.800 3.800 4.313 -0.513 19012 4144 1 10 . 1 1 13 13 ILE CA C 13 58.469 58.469 61.181 -2.712 19012 4145 1 10 . 1 1 13 13 ILE CB C 13 34.584 34.584 34.672 -0.088 19012 4146 1 10 . 1 1 13 13 ILE H H 13 6.635 6.635 7.926 -1.291 19012 4147 1 10 . 1 1 14 14 GLY N N 14 114.150 114.150 115.086 -0.936 19012 4148 1 10 . 1 1 14 14 GLY CA C 14 41.496 41.496 45.348 -3.852 19012 4149 1 10 . 1 1 14 14 GLY H H 14 8.842 8.842 7.888 0.954 19012 4150 1 10 . 1 1 15 15 TYR N N 15 119.014 119.014 118.559 0.455 19012 4151 1 10 . 1 1 15 15 TYR HA H 15 4.961 4.961 5.128 -0.167 19012 4152 1 10 . 1 1 15 15 TYR CA C 15 54.499 54.499 57.313 -2.814 19012 4153 1 10 . 1 1 15 15 TYR CB C 15 38.075 38.075 41.368 -3.293 19012 4154 1 10 . 1 1 15 15 TYR H H 15 8.264 8.264 8.340 -0.076 19012 4155 1 10 . 1 1 16 16 TRP N N 16 124.101 124.101 122.214 1.887 19012 4156 1 10 . 1 1 16 16 TRP HA H 16 5.175 5.175 5.496 -0.321 19012 4157 1 10 . 1 1 16 16 TRP CA C 16 52.970 52.970 56.620 -3.650 19012 4158 1 10 . 1 1 16 16 TRP CB C 16 28.341 28.341 33.360 -5.019 19012 4159 1 10 . 1 1 16 16 TRP H H 16 9.497 9.497 9.296 0.201 19012 4160 1 10 . 1 1 17 17 SER N N 17 115.863 115.863 115.797 0.066 19012 4161 1 10 . 1 1 17 17 SER HA H 17 6.272 6.272 5.784 0.488 19012 4162 1 10 . 1 1 17 17 SER CA C 17 53.039 53.039 55.910 -2.871 19012 4163 1 10 . 1 1 17 17 SER CB C 17 63.415 63.415 65.657 -2.242 19012 4164 1 10 . 1 1 17 17 SER H H 17 9.182 9.182 9.124 0.058 19012 4165 1 10 . 1 1 18 18 THR N N 18 119.520 119.520 116.733 2.787 19012 4166 1 10 . 1 1 18 18 THR CB C 18 67.199 67.199 69.773 -2.574 19012 4167 1 10 . 1 1 18 18 THR H H 18 8.996 8.996 8.867 0.129 19012 4168 1 10 . 1 1 19 19 GLY N N 19 110.006 110.006 109.063 0.943 19012 4169 1 10 . 1 1 19 19 GLY CA C 19 42.615 42.615 45.474 -2.859 19012 4170 1 10 . 1 1 19 19 GLY H H 19 8.206 8.206 7.457 0.749 19012 4171 1 10 . 1 1 20 20 ILE N N 20 111.313 111.313 110.791 0.522 19012 4172 1 10 . 1 1 20 20 ILE HA H 20 3.519 3.519 3.421 0.098 19012 4173 1 10 . 1 1 20 20 ILE CA C 20 57.765 57.765 60.470 -2.705 19012 4174 1 10 . 1 1 20 20 ILE CB C 20 37.839 37.839 39.744 -1.905 19012 4175 1 10 . 1 1 20 20 ILE H H 20 7.953 7.953 8.035 -0.082 19012 4176 1 10 . 1 1 21 21 GLU N N 21 119.547 119.547 120.593 -1.046 19012 4177 1 10 . 1 1 21 21 GLU HA H 21 4.463 4.463 4.461 0.002 19012 4178 1 10 . 1 1 21 21 GLU CA C 21 52.227 52.227 55.598 -3.371 19012 4179 1 10 . 1 1 21 21 GLU CB C 21 29.468 29.468 30.924 -1.456 19012 4180 1 10 . 1 1 21 21 GLU H H 21 7.514 7.514 7.407 0.107 19012 4181 1 10 . 1 1 22 22 GLY N N 22 109.534 109.534 109.756 -0.222 19012 4182 1 10 . 1 1 22 22 GLY CA C 22 43.582 43.582 47.157 -3.575 19012 4183 1 10 . 1 1 22 22 GLY H H 22 8.457 8.457 8.699 -0.242 19012 4184 1 10 . 1 1 23 23 THR N N 23 124.632 124.632 119.093 5.539 19012 4185 1 10 . 1 1 23 23 THR HA H 23 5.271 5.271 5.295 -0.024 19012 4186 1 10 . 1 1 23 23 THR CA C 23 60.060 60.060 61.488 -1.428 19012 4187 1 10 . 1 1 23 23 THR CB C 23 65.680 65.680 71.768 -6.088 19012 4188 1 10 . 1 1 23 23 THR H H 23 8.881 8.881 7.847 1.034 19012 4189 1 10 . 1 1 24 24 HIS N N 24 122.881 122.881 121.629 1.252 19012 4190 1 10 . 1 1 24 24 HIS HA H 24 4.780 4.780 5.162 -0.382 19012 4191 1 10 . 1 1 24 24 HIS CA C 24 50.970 50.970 54.543 -3.573 19012 4192 1 10 . 1 1 24 24 HIS CB C 24 27.898 27.898 32.248 -4.350 19012 4193 1 10 . 1 1 24 24 HIS H H 24 8.919 8.919 9.223 -0.304 19012 4194 1 10 . 1 1 25 25 LYS N N 25 119.738 119.738 119.436 0.302 19012 4195 1 10 . 1 1 25 25 LYS HA H 25 5.437 5.437 5.073 0.364 19012 4196 1 10 . 1 1 25 25 LYS CA C 25 52.650 52.650 55.502 -2.852 19012 4197 1 10 . 1 1 25 25 LYS CB C 25 33.277 33.277 36.042 -2.765 19012 4198 1 10 . 1 1 25 25 LYS H H 25 8.816 8.816 8.863 -0.047 19012 4199 1 10 . 1 1 26 26 LEU N N 26 126.017 126.017 123.789 2.228 19012 4200 1 10 . 1 1 26 26 LEU HA H 26 5.825 5.825 5.359 0.466 19012 4201 1 10 . 1 1 26 26 LEU CA C 26 51.614 51.614 53.041 -1.427 19012 4202 1 10 . 1 1 26 26 LEU CB C 26 44.544 44.544 44.573 -0.029 19012 4203 1 10 . 1 1 26 26 LEU H H 26 9.420 9.420 8.962 0.458 19012 4204 1 10 . 1 1 27 27 LEU N N 27 128.825 128.825 123.001 5.824 19012 4205 1 10 . 1 1 27 27 LEU HA H 27 5.417 5.417 5.152 0.265 19012 4206 1 10 . 1 1 27 27 LEU CA C 27 50.740 50.740 54.176 -3.436 19012 4207 1 10 . 1 1 27 27 LEU CB C 27 44.569 44.569 46.854 -2.285 19012 4208 1 10 . 1 1 27 27 LEU H H 27 9.475 9.475 8.481 0.994 19012 4209 1 10 . 1 1 28 28 SER N N 28 117.701 117.701 116.178 1.523 19012 4210 1 10 . 1 1 28 28 SER HA H 28 5.337 5.337 5.513 -0.176 19012 4211 1 10 . 1 1 28 28 SER CA C 28 53.530 53.530 57.273 -3.743 19012 4212 1 10 . 1 1 28 28 SER CB C 28 63.368 63.368 66.484 -3.116 19012 4213 1 10 . 1 1 28 28 SER H H 28 8.859 8.859 8.531 0.328 19012 4214 1 10 . 1 1 29 29 PHE N N 29 117.319 117.319 121.056 -3.737 19012 4215 1 10 . 1 1 29 29 PHE HA H 29 4.679 4.679 4.765 -0.086 19012 4216 1 10 . 1 1 29 29 PHE CA C 29 54.565 54.565 57.705 -3.140 19012 4217 1 10 . 1 1 29 29 PHE CB C 29 39.104 39.104 42.477 -3.373 19012 4218 1 10 . 1 1 29 29 PHE H H 29 8.401 8.401 9.201 -0.800 19012 4219 1 10 . 1 1 30 30 ASP N N 30 123.741 123.741 125.212 -1.471 19012 4220 1 10 . 1 1 30 30 ASP HA H 30 5.217 5.217 4.964 0.253 19012 4221 1 10 . 1 1 30 30 ASP CA C 30 50.408 50.408 53.403 -2.995 19012 4222 1 10 . 1 1 30 30 ASP CB C 30 41.148 41.148 42.952 -1.804 19012 4223 1 10 . 1 1 30 30 ASP H H 30 9.573 9.573 8.510 1.063 19012 4224 1 10 . 1 1 31 31 GLU N N 31 127.123 127.123 118.791 8.332 19012 4225 1 10 . 1 1 31 31 GLU HA H 31 4.127 4.127 4.202 -0.075 19012 4226 1 10 . 1 1 31 31 GLU CA C 31 56.324 56.324 58.337 -2.013 19012 4227 1 10 . 1 1 31 31 GLU CB C 31 27.283 27.283 29.907 -2.624 19012 4228 1 10 . 1 1 31 31 GLU H H 31 9.718 9.718 8.563 1.155 19012 4229 1 10 . 1 1 32 32 ASP N N 32 119.011 119.011 117.822 1.189 19012 4230 1 10 . 1 1 32 32 ASP HA H 32 4.443 4.443 4.887 -0.444 19012 4231 1 10 . 1 1 32 32 ASP CA C 32 50.919 50.919 53.799 -2.880 19012 4232 1 10 . 1 1 32 32 ASP CB C 32 37.344 37.344 41.186 -3.842 19012 4233 1 10 . 1 1 32 32 ASP H H 32 8.911 8.911 8.242 0.669 19012 4234 1 10 . 1 1 33 33 GLY N N 33 106.215 106.215 108.313 -2.098 19012 4235 1 10 . 1 1 33 33 GLY CA C 33 43.879 43.879 45.413 -1.534 19012 4236 1 10 . 1 1 33 33 GLY H H 33 7.781 7.781 7.989 -0.208 19012 4237 1 10 . 1 1 34 34 THR N N 34 111.570 111.570 112.915 -1.345 19012 4238 1 10 . 1 1 34 34 THR HA H 34 5.474 5.474 4.528 0.946 19012 4239 1 10 . 1 1 34 34 THR CA C 34 57.389 57.389 60.246 -2.857 19012 4240 1 10 . 1 1 34 34 THR CB C 34 69.991 69.991 71.725 -1.734 19012 4241 1 10 . 1 1 34 34 THR H H 34 7.863 7.863 7.894 -0.031 19012 4242 1 10 . 1 1 35 35 GLY N N 35 106.781 106.781 106.887 -0.106 19012 4243 1 10 . 1 1 35 35 GLY CA C 35 43.233 43.233 43.501 -0.268 19012 4244 1 10 . 1 1 35 35 GLY H H 35 8.235 8.235 8.313 -0.078 19012 4245 1 10 . 1 1 36 36 SER N N 36 113.807 113.807 112.797 1.010 19012 4246 1 10 . 1 1 36 36 SER HA H 36 4.659 4.659 4.959 -0.300 19012 4247 1 10 . 1 1 36 36 SER CA C 36 54.509 54.509 56.606 -2.097 19012 4248 1 10 . 1 1 36 36 SER CB C 36 64.821 64.821 66.115 -1.294 19012 4249 1 10 . 1 1 36 36 SER H H 36 8.182 8.182 8.321 -0.139 19012 4250 1 10 . 1 1 37 37 PHE N N 37 120.041 120.041 123.367 -3.326 19012 4251 1 10 . 1 1 37 37 PHE HA H 37 5.885 5.885 5.148 0.737 19012 4252 1 10 . 1 1 37 37 PHE CA C 37 52.308 52.308 55.753 -3.445 19012 4253 1 10 . 1 1 37 37 PHE CB C 37 41.174 41.174 43.576 -2.402 19012 4254 1 10 . 1 1 37 37 PHE H H 37 8.829 8.829 8.109 0.720 19012 4255 1 10 . 1 1 38 38 GLY N N 38 115.263 115.263 111.871 3.392 19012 4256 1 10 . 1 1 38 38 GLY CA C 38 42.092 42.092 44.174 -2.082 19012 4257 1 10 . 1 1 38 38 GLY H H 38 8.936 8.936 7.926 1.010 19012 4258 1 10 . 1 1 39 39 ILE N N 39 119.791 119.791 121.987 -2.196 19012 4259 1 10 . 1 1 39 39 ILE HA H 39 4.292 4.292 4.449 -0.157 19012 4260 1 10 . 1 1 39 39 ILE CA C 39 58.280 58.280 60.538 -2.258 19012 4261 1 10 . 1 1 39 39 ILE CB C 39 36.838 36.838 39.839 -3.001 19012 4262 1 10 . 1 1 39 39 ILE H H 39 7.724 7.724 7.580 0.144 19012 4263 1 10 . 1 1 40 40 TYR N N 40 125.748 125.748 125.138 0.610 19012 4264 1 10 . 1 1 40 40 TYR HA H 40 4.742 4.742 5.044 -0.302 19012 4265 1 10 . 1 1 40 40 TYR CA C 40 53.881 53.881 56.553 -2.672 19012 4266 1 10 . 1 1 40 40 TYR CB C 40 39.894 39.894 41.735 -1.841 19012 4267 1 10 . 1 1 40 40 TYR H H 40 8.782 8.782 8.832 -0.050 19012 4268 1 10 . 1 1 41 41 SER N N 41 114.721 114.721 117.473 -2.752 19012 4269 1 10 . 1 1 41 41 SER HA H 41 4.689 4.689 5.079 -0.390 19012 4270 1 10 . 1 1 41 41 SER CA C 41 53.337 53.337 56.623 -3.286 19012 4271 1 10 . 1 1 41 41 SER CB C 41 60.205 60.205 64.435 -4.230 19012 4272 1 10 . 1 1 41 41 SER H H 41 8.708 8.708 8.812 -0.104 19012 4273 1 10 . 1 1 42 42 ASN N N 42 124.063 124.063 120.693 3.370 19012 4274 1 10 . 1 1 42 42 ASN HA H 42 4.298 4.298 4.591 -0.293 19012 4275 1 10 . 1 1 42 42 ASN CA C 42 54.083 54.083 56.594 -2.511 19012 4276 1 10 . 1 1 42 42 ASN CB C 42 34.720 34.720 38.703 -3.983 19012 4277 1 10 . 1 1 42 42 ASN H H 42 9.239 9.239 8.580 0.659 19012 4278 1 10 . 1 1 43 43 ALA N N 43 125.505 125.505 117.444 8.061 19012 4279 1 10 . 1 1 43 43 ALA HA H 43 4.576 4.576 4.648 -0.072 19012 4280 1 10 . 1 1 43 43 ALA CA C 43 50.170 50.170 51.813 -1.643 19012 4281 1 10 . 1 1 43 43 ALA CB C 43 16.678 16.678 18.680 -2.002 19012 4282 1 10 . 1 1 43 43 ALA H H 43 8.468 8.468 8.041 0.427 19012 4283 1 10 . 1 1 44 44 THR N N 44 119.056 119.056 116.302 2.754 19012 4284 1 10 . 1 1 44 44 THR HA H 44 4.550 4.550 4.823 -0.273 19012 4285 1 10 . 1 1 44 44 THR CA C 44 58.028 58.028 60.170 -2.142 19012 4286 1 10 . 1 1 44 44 THR CB C 44 68.176 68.176 70.797 -2.621 19012 4287 1 10 . 1 1 44 44 THR H H 44 8.420 8.420 7.636 0.784 19012 4288 1 10 . 1 1 45 45 PRO HA H 45 3.797 3.797 4.252 -0.455 19012 4289 1 10 . 1 1 45 45 PRO CA C 45 60.280 60.280 62.650 -2.370 19012 4290 1 10 . 1 1 45 45 PRO CB C 45 28.488 28.488 32.328 -3.840 19012 4291 1 10 . 1 1 46 46 ILE N N 46 124.607 124.607 120.623 3.984 19012 4292 1 10 . 1 1 46 46 ILE HA H 46 4.023 4.023 4.285 -0.262 19012 4293 1 10 . 1 1 46 46 ILE CA C 46 58.609 58.609 61.167 -2.558 19012 4294 1 10 . 1 1 46 46 ILE CB C 46 35.652 35.652 38.755 -3.103 19012 4295 1 10 . 1 1 46 46 ILE H H 46 8.998 8.998 8.066 0.932 19012 4296 1 10 . 1 1 47 47 SER N N 47 112.826 112.826 115.570 -2.744 19012 4297 1 10 . 1 1 47 47 SER HA H 47 4.474 4.474 4.588 -0.114 19012 4298 1 10 . 1 1 47 47 SER CA C 47 54.926 54.926 58.465 -3.538 19012 4299 1 10 . 1 1 47 47 SER CB C 47 62.419 62.419 64.998 -2.579 19012 4300 1 10 . 1 1 47 47 SER H H 47 7.439 7.439 7.256 0.183 19012 4301 1 10 . 1 1 48 48 PHE N N 48 123.266 123.266 124.281 -1.015 19012 4302 1 10 . 1 1 48 48 PHE HA H 48 5.194 5.194 5.232 -0.038 19012 4303 1 10 . 1 1 48 48 PHE CA C 48 55.624 55.624 57.962 -2.338 19012 4304 1 10 . 1 1 48 48 PHE CB C 48 40.000 40.000 41.987 -1.987 19012 4305 1 10 . 1 1 48 48 PHE H H 48 8.238 8.238 8.509 -0.271 19012 4306 1 10 . 1 1 49 49 GLN N N 49 123.564 123.564 123.604 -0.040 19012 4307 1 10 . 1 1 49 49 GLN HA H 49 4.935 4.935 5.005 -0.070 19012 4308 1 10 . 1 1 49 49 GLN CA C 49 51.294 51.294 54.593 -3.299 19012 4309 1 10 . 1 1 49 49 GLN CB C 49 29.688 29.688 32.897 -3.209 19012 4310 1 10 . 1 1 49 49 GLN H H 49 8.607 8.607 8.756 -0.149 19012 4311 1 10 . 1 1 50 50 MET N N 50 120.626 120.626 117.732 2.894 19012 4312 1 10 . 1 1 50 50 MET HA H 50 4.637 4.637 5.154 -0.517 19012 4313 1 10 . 1 1 50 50 MET CA C 50 51.562 51.562 54.786 -3.224 19012 4314 1 10 . 1 1 50 50 MET CB C 50 33.549 33.549 38.212 -4.663 19012 4315 1 10 . 1 1 50 50 MET H H 50 9.071 9.071 8.294 0.777 19012 4316 1 10 . 1 1 51 51 PHE N N 51 112.996 112.996 115.040 -2.044 19012 4317 1 10 . 1 1 51 51 PHE HA H 51 4.928 4.928 5.073 -0.145 19012 4318 1 10 . 1 1 51 51 PHE CA C 51 53.899 53.899 55.928 -2.029 19012 4319 1 10 . 1 1 51 51 PHE CB C 51 38.018 38.018 40.724 -2.706 19012 4320 1 10 . 1 1 52 52 ASP N N 52 118.727 118.727 119.118 -0.391 19012 4321 1 10 . 1 1 52 52 ASP HA H 52 5.640 5.640 4.654 0.986 19012 4322 1 10 . 1 1 52 52 ASP CA C 52 50.264 50.264 54.119 -3.855 19012 4323 1 10 . 1 1 52 52 ASP CB C 52 38.971 38.971 43.153 -4.181 19012 4324 1 10 . 1 1 52 52 ASP H H 52 8.469 8.469 8.083 0.386 19012 4325 1 10 . 1 1 53 53 TYR N N 53 115.709 115.709 116.643 -0.934 19012 4326 1 10 . 1 1 53 53 TYR HA H 53 6.351 6.351 5.799 0.552 19012 4327 1 10 . 1 1 53 53 TYR CA C 53 53.296 53.296 56.333 -3.037 19012 4328 1 10 . 1 1 53 53 TYR CB C 53 40.764 40.764 42.313 -1.549 19012 4329 1 10 . 1 1 53 53 TYR H H 53 8.725 8.725 8.487 0.238 19012 4330 1 10 . 1 1 54 54 LYS N N 54 118.766 118.766 119.589 -0.823 19012 4331 1 10 . 1 1 54 54 LYS HA H 54 4.445 4.445 4.926 -0.481 19012 4332 1 10 . 1 1 54 54 LYS CA C 54 52.187 52.187 55.119 -2.932 19012 4333 1 10 . 1 1 54 54 LYS CB C 54 34.819 34.819 36.469 -1.650 19012 4334 1 10 . 1 1 54 54 LYS H H 54 8.972 8.972 8.884 0.088 19012 4335 1 10 . 1 1 55 55 ILE N N 55 122.406 122.406 121.513 0.893 19012 4336 1 10 . 1 1 55 55 ILE HA H 55 4.796 4.796 5.008 -0.212 19012 4337 1 10 . 1 1 55 55 ILE CA C 55 56.172 56.172 59.470 -3.298 19012 4338 1 10 . 1 1 55 55 ILE CB C 55 33.404 33.404 37.065 -3.661 19012 4339 1 10 . 1 1 55 55 ILE H H 55 8.832 8.832 8.591 0.241 19012 4340 1 10 . 1 1 56 56 GLU N N 56 128.507 128.507 125.731 2.776 19012 4341 1 10 . 1 1 56 56 GLU HA H 56 4.575 4.575 4.449 0.126 19012 4342 1 10 . 1 1 56 56 GLU CA C 56 52.300 52.300 56.384 -4.084 19012 4343 1 10 . 1 1 56 56 GLU CB C 56 30.432 30.432 30.812 -0.380 19012 4344 1 10 . 1 1 56 56 GLU H H 56 8.787 8.787 8.832 -0.045 19012 4345 1 10 . 1 1 57 57 GLU N N 57 125.606 125.606 118.065 7.541 19012 4346 1 10 . 1 1 57 57 GLU HA H 57 3.809 3.809 4.370 -0.561 19012 4347 1 10 . 1 1 57 57 GLU CA C 57 54.254 54.254 56.873 -2.619 19012 4348 1 10 . 1 1 57 57 GLU CB C 57 25.445 25.445 30.193 -4.748 19012 4349 1 10 . 1 1 57 57 GLU H H 57 9.296 9.296 8.375 0.921 19012 4350 1 10 . 1 1 58 58 GLY N N 58 103.913 103.913 107.542 -3.629 19012 4351 1 10 . 1 1 58 58 GLY CA C 58 43.401 43.401 46.160 -2.759 19012 4352 1 10 . 1 1 58 58 GLY H H 58 8.267 8.267 8.343 -0.076 19012 4353 1 10 . 1 1 59 59 ARG N N 59 119.125 119.125 117.132 1.993 19012 4354 1 10 . 1 1 59 59 ARG HA H 59 4.787 4.787 4.565 0.222 19012 4355 1 10 . 1 1 59 59 ARG CA C 59 51.812 51.812 54.403 -2.591 19012 4356 1 10 . 1 1 59 59 ARG CB C 59 32.023 32.023 33.721 -1.698 19012 4357 1 10 . 1 1 59 59 ARG H H 59 7.840 7.840 7.565 0.275 19012 4358 1 10 . 1 1 60 60 ILE N N 60 118.464 118.464 120.604 -2.140 19012 4359 1 10 . 1 1 60 60 ILE HA H 60 4.409 4.409 4.553 -0.144 19012 4360 1 10 . 1 1 60 60 ILE CA C 60 58.461 58.461 61.488 -3.027 19012 4361 1 10 . 1 1 60 60 ILE CB C 60 36.943 36.943 39.440 -2.497 19012 4362 1 10 . 1 1 60 60 ILE H H 60 8.150 8.150 8.533 -0.383 19012 4363 1 10 . 1 1 61 61 TYR N N 61 130.267 130.267 130.164 0.103 19012 4364 1 10 . 1 1 61 61 TYR HA H 61 4.399 4.399 4.806 -0.407 19012 4365 1 10 . 1 1 61 61 TYR CA C 61 53.435 53.435 55.242 -1.807 19012 4366 1 10 . 1 1 61 61 TYR CB C 61 37.443 37.443 39.117 -1.674 19012 4367 1 10 . 1 1 61 61 TYR H H 61 9.304 9.304 9.166 0.138 19012 4368 1 10 . 1 1 62 62 ILE N N 62 129.152 129.152 128.372 0.780 19012 4369 1 10 . 1 1 62 62 ILE HA H 62 4.035 4.035 3.976 0.059 19012 4370 1 10 . 1 1 62 62 ILE CA C 62 55.538 55.538 59.437 -3.899 19012 4371 1 10 . 1 1 62 62 ILE CB C 62 33.654 33.654 36.446 -2.792 19012 4372 1 10 . 1 1 62 62 ILE H H 62 8.326 8.326 8.843 -0.517 19012 4373 1 10 . 1 1 63 63 TYR N N 63 119.836 119.836 121.418 -1.582 19012 4374 1 10 . 1 1 63 63 TYR HA H 63 4.563 4.563 4.285 0.278 19012 4375 1 10 . 1 1 63 63 TYR CA C 63 52.035 52.035 56.757 -4.722 19012 4376 1 10 . 1 1 63 63 TYR CB C 63 36.267 36.267 40.161 -3.894 19012 4377 1 10 . 1 1 63 63 TYR H H 63 8.397 8.397 8.035 0.362 19012 4378 1 10 . 1 1 64 64 ASP N N 64 117.747 117.747 121.420 -3.673 19012 4379 1 10 . 1 1 64 64 ASP HA H 64 4.270 4.270 4.633 -0.363 19012 4380 1 10 . 1 1 64 64 ASP CA C 64 51.384 51.384 53.964 -2.580 19012 4381 1 10 . 1 1 64 64 ASP CB C 64 35.510 35.510 42.250 -6.740 19012 4382 1 10 . 1 1 64 64 ASP H H 64 8.570 8.570 7.656 0.914 19012 4383 1 10 . 1 1 65 65 VAL N N 65 117.619 117.619 124.013 -6.394 19012 4384 1 10 . 1 1 65 65 VAL HA H 65 4.329 4.329 4.797 -0.468 19012 4385 1 10 . 1 1 65 65 VAL CA C 65 61.015 61.015 60.464 0.551 19012 4386 1 10 . 1 1 65 65 VAL CB C 65 29.350 29.350 34.328 -4.978 19012 4387 1 10 . 1 1 65 65 VAL H H 65 8.116 8.116 8.163 -0.047 19012 4388 1 10 . 1 1 66 66 TYR N N 66 127.317 127.317 126.391 0.926 19012 4389 1 10 . 1 1 66 66 TYR HA H 66 4.567 4.567 5.089 -0.522 19012 4390 1 10 . 1 1 66 66 TYR CA C 66 53.116 53.116 55.835 -2.719 19012 4391 1 10 . 1 1 66 66 TYR CB C 66 39.090 39.090 40.924 -1.834 19012 4392 1 10 . 1 1 66 66 TYR H H 66 8.911 8.911 9.141 -0.230 19012 4393 1 10 . 1 1 67 67 PRO HA H 67 3.778 3.778 4.247 -0.469 19012 4394 1 10 . 1 1 67 67 PRO CA C 67 60.736 60.736 63.721 -2.985 19012 4395 1 10 . 1 1 67 67 PRO CB C 67 32.039 32.039 31.418 0.621 19012 4396 1 10 . 1 1 68 68 ASP N N 68 122.446 122.446 119.195 3.251 19012 4397 1 10 . 1 1 68 68 ASP HA H 68 4.595 4.595 4.633 -0.038 19012 4398 1 10 . 1 1 68 68 ASP CA C 68 51.405 51.405 52.645 -1.240 19012 4399 1 10 . 1 1 68 68 ASP CB C 68 37.732 37.732 40.773 -3.041 19012 4400 1 10 . 1 1 68 68 ASP H H 68 8.017 8.017 7.834 0.183 19012 4401 1 10 . 1 1 69 69 GLU N N 69 121.842 121.842 120.550 1.292 19012 4402 1 10 . 1 1 69 69 GLU HA H 69 4.167 4.167 4.284 -0.117 19012 4403 1 10 . 1 1 69 69 GLU CA C 69 54.191 54.191 56.459 -2.268 19012 4404 1 10 . 1 1 69 69 GLU CB C 69 27.200 27.200 30.077 -2.877 19012 4405 1 10 . 1 1 69 69 GLU H H 69 8.109 8.109 8.494 -0.385 19012 4406 1 10 . 1 1 70 70 LYS N N 70 121.975 121.975 124.114 -2.139 19012 4407 1 10 . 1 1 70 70 LYS HA H 70 4.532 4.532 4.412 0.120 19012 4408 1 10 . 1 1 70 70 LYS CA C 70 52.097 52.097 54.945 -2.848 19012 4409 1 10 . 1 1 70 70 LYS CB C 70 33.247 33.247 33.437 -0.190 19012 4410 1 10 . 1 1 70 70 LYS H H 70 7.646 7.646 8.426 -0.780 19012 4411 1 10 . 1 1 71 71 THR N N 71 120.177 120.177 117.038 3.139 19012 4412 1 10 . 1 1 71 71 THR HA H 71 4.386 4.386 4.445 -0.059 19012 4413 1 10 . 1 1 71 71 THR CA C 71 58.759 58.759 59.379 -0.620 19012 4414 1 10 . 1 1 71 71 THR CB C 71 66.724 66.724 69.248 -2.524 19012 4415 1 10 . 1 1 71 71 THR H H 71 8.258 8.258 8.400 -0.142 19012 4416 1 10 . 1 1 72 72 PRO HA H 72 4.389 4.389 4.158 0.231 19012 4417 1 10 . 1 1 72 72 PRO CA C 72 61.688 61.688 63.021 -1.333 19012 4418 1 10 . 1 1 72 72 PRO CB C 72 31.440 31.440 32.179 -0.740 19012 4419 1 10 . 1 1 73 73 TYR N N 73 118.747 118.747 117.251 1.496 19012 4420 1 10 . 1 1 73 73 TYR HA H 73 4.857 4.857 4.871 -0.014 19012 4421 1 10 . 1 1 73 73 TYR CA C 73 52.643 52.643 55.844 -3.201 19012 4422 1 10 . 1 1 73 73 TYR CB C 73 37.470 37.470 39.116 -1.646 19012 4423 1 10 . 1 1 73 73 TYR H H 73 7.988 7.988 8.081 -0.093 19012 4424 1 10 . 1 1 74 74 TYR N N 74 114.692 114.692 118.406 -3.714 19012 4425 1 10 . 1 1 74 74 TYR HA H 74 5.548 5.548 5.836 -0.288 19012 4426 1 10 . 1 1 74 74 TYR CA C 74 53.855 53.855 57.237 -3.382 19012 4427 1 10 . 1 1 74 74 TYR CB C 74 39.316 39.316 40.701 -1.385 19012 4428 1 10 . 1 1 74 74 TYR H H 74 8.370 8.370 8.590 -0.220 19012 4429 1 10 . 1 1 75 75 LEU N N 75 120.717 120.717 122.521 -1.804 19012 4430 1 10 . 1 1 75 75 LEU HA H 75 4.456 4.456 4.748 -0.292 19012 4431 1 10 . 1 1 75 75 LEU CA C 75 50.648 50.648 53.583 -2.935 19012 4432 1 10 . 1 1 75 75 LEU CB C 75 41.979 41.979 46.021 -4.042 19012 4433 1 10 . 1 1 75 75 LEU H H 75 9.467 9.467 9.171 0.296 19012 4434 1 10 . 1 1 76 76 ASP N N 76 123.675 123.675 124.117 -0.442 19012 4435 1 10 . 1 1 76 76 ASP HA H 76 5.041 5.041 4.784 0.257 19012 4436 1 10 . 1 1 76 76 ASP CA C 76 51.324 51.324 55.063 -3.739 19012 4437 1 10 . 1 1 76 76 ASP CB C 76 39.376 39.376 41.514 -2.138 19012 4438 1 10 . 1 1 76 76 ASP H H 76 7.825 7.825 8.765 -0.940 19012 4439 1 10 . 1 1 77 77 CYS N N 77 118.147 118.147 118.928 -0.781 19012 4440 1 10 . 1 1 77 77 CYS HA H 77 5.514 5.514 5.017 0.497 19012 4441 1 10 . 1 1 77 77 CYS CA C 77 53.205 53.205 56.098 -2.893 19012 4442 1 10 . 1 1 77 77 CYS CB C 77 30.347 30.347 31.601 -1.254 19012 4443 1 10 . 1 1 77 77 CYS H H 77 8.504 8.504 8.517 -0.013 19012 4444 1 10 . 1 1 78 78 LYS N N 78 119.791 119.791 119.820 -0.029 19012 4445 1 10 . 1 1 78 78 LYS HA H 78 4.398 4.398 4.518 -0.120 19012 4446 1 10 . 1 1 78 78 LYS CA C 78 52.033 52.033 54.602 -2.569 19012 4447 1 10 . 1 1 78 78 LYS CB C 78 33.618 33.618 35.781 -2.163 19012 4448 1 10 . 1 1 78 78 LYS H H 78 8.483 8.483 8.439 0.044 19012 4449 1 10 . 1 1 79 79 ILE N N 79 122.179 122.179 121.849 0.330 19012 4450 1 10 . 1 1 79 79 ILE HA H 79 5.410 5.410 5.102 0.308 19012 4451 1 10 . 1 1 79 79 ILE CA C 79 56.581 56.581 59.709 -3.128 19012 4452 1 10 . 1 1 79 79 ILE CB C 79 41.302 41.302 42.068 -0.766 19012 4453 1 10 . 1 1 79 79 ILE H H 79 8.923 8.923 8.491 0.432 19012 4454 1 10 . 1 1 80 80 SER N N 80 122.640 122.640 120.709 1.931 19012 4455 1 10 . 1 1 80 80 SER HA H 80 4.760 4.760 5.106 -0.346 19012 4456 1 10 . 1 1 80 80 SER CB C 80 62.504 62.504 64.486 -1.982 19012 4457 1 10 . 1 1 80 80 SER H H 80 9.150 9.150 8.817 0.333 19012 4458 1 10 . 1 1 81 81 GLY N N 81 111.781 111.781 109.475 2.306 19012 4459 1 10 . 1 1 81 81 GLY CA C 81 44.910 44.910 46.124 -1.214 19012 4460 1 10 . 1 1 81 81 GLY H H 81 8.832 8.832 8.325 0.507 19012 4461 1 10 . 1 1 82 82 THR N N 82 110.902 110.902 113.682 -2.780 19012 4462 1 10 . 1 1 82 82 THR HA H 82 4.541 4.541 4.395 0.146 19012 4463 1 10 . 1 1 82 82 THR CA C 82 58.833 58.833 63.155 -4.322 19012 4464 1 10 . 1 1 82 82 THR H H 82 8.284 8.284 8.077 0.207 19012 4465 1 10 . 1 1 83 83 THR N N 83 119.808 119.808 118.915 0.893 19012 4466 1 10 . 1 1 83 83 THR HA H 83 5.576 5.576 5.381 0.195 19012 4467 1 10 . 1 1 83 83 THR CA C 83 59.711 59.711 62.101 -2.390 19012 4468 1 10 . 1 1 83 83 THR CB C 83 68.486 68.486 71.441 -2.955 19012 4469 1 10 . 1 1 83 83 THR H H 83 8.178 8.178 7.838 0.340 19012 4470 1 10 . 1 1 84 84 LEU N N 84 128.946 128.946 128.012 0.934 19012 4471 1 10 . 1 1 84 84 LEU HA H 84 4.787 4.787 4.547 0.240 19012 4472 1 10 . 1 1 84 84 LEU CA C 84 50.979 50.979 53.339 -2.360 19012 4473 1 10 . 1 1 84 84 LEU CB C 84 43.114 43.114 43.611 -0.497 19012 4474 1 10 . 1 1 84 84 LEU H H 84 9.103 9.103 9.094 0.009 19012 4475 1 10 . 1 1 85 85 LYS N N 85 129.439 129.439 128.037 1.402 19012 4476 1 10 . 1 1 85 85 LYS HA H 85 5.220 5.220 4.763 0.457 19012 4477 1 10 . 1 1 85 85 LYS CA C 85 52.028 52.028 54.226 -2.198 19012 4478 1 10 . 1 1 85 85 LYS CB C 85 32.656 32.656 32.944 -0.288 19012 4479 1 10 . 1 1 85 85 LYS H H 85 9.336 9.336 8.803 0.533 19012 4480 1 10 . 1 1 86 86 VAL N N 86 127.719 127.719 128.139 -0.420 19012 4481 1 10 . 1 1 86 86 VAL HA H 86 4.279 4.279 3.688 0.591 19012 4482 1 10 . 1 1 86 86 VAL CA C 86 59.179 59.179 63.897 -4.718 19012 4483 1 10 . 1 1 86 86 VAL CB C 86 29.826 29.826 32.057 -2.231 19012 4484 1 10 . 1 1 86 86 VAL H H 86 9.122 9.122 8.111 1.011 19012 4485 1 10 . 1 1 87 87 GLU N N 87 126.504 126.504 127.744 -1.240 19012 4486 1 10 . 1 1 87 87 GLU HA H 87 4.215 4.215 4.363 -0.148 19012 4487 1 10 . 1 1 87 87 GLU CA C 87 55.427 55.427 57.709 -2.282 19012 4488 1 10 . 1 1 87 87 GLU CB C 87 29.038 29.038 31.034 -1.996 19012 4489 1 10 . 1 1 87 87 GLU H H 87 8.960 8.960 8.835 0.125 19012 4490 1 10 . 1 1 88 88 THR N N 88 109.146 109.146 111.705 -2.559 19012 4491 1 10 . 1 1 88 88 THR HA H 88 4.560 4.560 4.489 0.071 19012 4492 1 10 . 1 1 88 88 THR CA C 88 57.802 57.802 60.695 -2.893 19012 4493 1 10 . 1 1 88 88 THR CB C 88 69.805 69.805 70.345 -0.540 19012 4494 1 10 . 1 1 88 88 THR H H 88 7.079 7.079 7.669 -0.590 19012 4495 1 10 . 1 1 89 89 GLY N N 89 102.665 102.665 112.237 -9.572 19012 4496 1 10 . 1 1 89 89 GLY CA C 89 42.083 42.083 44.542 -2.459 19012 4497 1 10 . 1 1 89 89 GLY H H 89 7.984 7.984 8.027 -0.043 19012 4498 1 10 . 1 1 90 90 SER N N 90 118.973 118.973 115.989 2.984 19012 4499 1 10 . 1 1 90 90 SER HA H 90 4.103 4.103 4.152 -0.049 19012 4500 1 10 . 1 1 90 90 SER CA C 90 58.840 58.840 61.449 -2.609 19012 4501 1 10 . 1 1 90 90 SER CB C 90 60.079 60.079 63.130 -3.051 19012 4502 1 10 . 1 1 90 90 SER H H 90 8.854 8.854 8.854 0.000 19012 4503 1 10 . 1 1 91 91 GLU N N 91 120.699 120.699 119.101 1.598 19012 4504 1 10 . 1 1 91 91 GLU HA H 91 3.676 3.676 4.447 -0.771 19012 4505 1 10 . 1 1 91 91 GLU CA C 91 54.571 54.571 55.389 -0.818 19012 4506 1 10 . 1 1 91 91 GLU CB C 91 26.627 26.627 28.848 -2.221 19012 4507 1 10 . 1 1 91 91 GLU H H 91 10.220 10.220 8.419 1.801 19012 4508 1 10 . 1 1 92 92 ALA N N 92 121.411 121.411 123.986 -2.575 19012 4509 1 10 . 1 1 92 92 ALA HA H 92 3.691 3.691 4.148 -0.457 19012 4510 1 10 . 1 1 92 92 ALA CA C 92 50.916 50.916 53.289 -2.373 19012 4511 1 10 . 1 1 92 92 ALA CB C 92 16.118 16.118 17.823 -1.705 19012 4512 1 10 . 1 1 92 92 ALA H H 92 7.014 7.014 7.249 -0.235 19012 4513 1 10 . 1 1 93 93 GLY N N 93 109.056 109.056 111.498 -2.442 19012 4514 1 10 . 1 1 93 93 GLY CA C 93 42.601 42.601 45.245 -2.643 19012 4515 1 10 . 1 1 93 93 GLY H H 93 8.706 8.706 7.657 1.049 19012 4516 1 10 . 1 1 94 94 THR N N 94 117.255 117.255 113.185 4.070 19012 4517 1 10 . 1 1 94 94 THR HA H 94 4.831 4.831 5.147 -0.316 19012 4518 1 10 . 1 1 94 94 THR CA C 94 60.491 60.491 60.155 0.336 19012 4519 1 10 . 1 1 94 94 THR CB C 94 66.403 66.403 70.330 -3.927 19012 4520 1 10 . 1 1 94 94 THR H H 94 8.637 8.637 7.831 0.806 19012 4521 1 10 . 1 1 95 95 TYR N N 95 127.051 127.051 124.389 2.662 19012 4522 1 10 . 1 1 95 95 TYR HA H 95 4.564 4.564 5.089 -0.525 19012 4523 1 10 . 1 1 95 95 TYR CA C 95 53.889 53.889 56.704 -2.815 19012 4524 1 10 . 1 1 95 95 TYR CB C 95 39.733 39.733 42.539 -2.806 19012 4525 1 10 . 1 1 95 95 TYR H H 95 10.060 10.060 9.102 0.958 19012 4526 1 10 . 1 1 96 96 LYS N N 96 119.487 119.487 121.540 -2.053 19012 4527 1 10 . 1 1 96 96 LYS HA H 96 5.668 5.668 5.567 0.101 19012 4528 1 10 . 1 1 96 96 LYS CA C 96 50.781 50.781 53.991 -3.210 19012 4529 1 10 . 1 1 96 96 LYS CB C 96 31.840 31.840 36.321 -4.481 19012 4530 1 10 . 1 1 96 96 LYS H H 96 8.960 8.960 9.419 -0.459 19012 4531 1 10 . 1 1 97 97 LYS N N 97 128.866 128.866 125.630 3.236 19012 4532 1 10 . 1 1 97 97 LYS HA H 97 3.701 3.701 4.035 -0.334 19012 4533 1 10 . 1 1 97 97 LYS CA C 97 55.022 55.022 56.946 -1.924 19012 4534 1 10 . 1 1 97 97 LYS CB C 97 30.744 30.744 32.589 -1.845 19012 4535 1 10 . 1 1 97 97 LYS H H 97 8.729 8.729 8.770 -0.041 19012 4536 1 10 . 1 1 98 98 GLN N N 98 127.056 127.056 127.652 -0.596 19012 4537 1 10 . 1 1 98 98 GLN HA H 98 4.244 4.244 4.429 -0.185 19012 4538 1 10 . 1 1 98 98 GLN CA C 98 52.689 52.689 55.349 -2.660 19012 4539 1 10 . 1 1 98 98 GLN CB C 98 28.065 28.065 28.212 -0.147 19012 4540 1 10 . 1 1 98 98 GLN H H 98 8.992 8.992 8.454 0.538 19012 4541 1 11 . 1 1 2 2 GLU N N 2 119.968 119.968 123.297 -3.329 19012 4542 1 11 . 1 1 2 2 GLU HA H 2 4.009 4.009 4.468 -0.459 19012 4543 1 11 . 1 1 2 2 GLU CA C 2 53.190 53.190 56.003 -2.813 19012 4544 1 11 . 1 1 2 2 GLU CB C 2 27.574 27.574 31.186 -3.612 19012 4545 1 11 . 1 1 2 2 GLU H H 2 8.212 8.212 8.513 -0.301 19012 4546 1 11 . 1 1 3 3 ASP N N 3 122.057 122.057 123.847 -1.790 19012 4547 1 11 . 1 1 3 3 ASP HA H 3 4.509 4.509 4.879 -0.370 19012 4548 1 11 . 1 1 3 3 ASP CA C 3 50.691 50.691 54.064 -3.373 19012 4549 1 11 . 1 1 3 3 ASP CB C 3 38.121 38.121 41.824 -3.703 19012 4550 1 11 . 1 1 3 3 ASP H H 3 8.209 8.209 8.364 -0.155 19012 4551 1 11 . 1 1 4 4 TRP N N 4 121.397 121.397 124.725 -3.328 19012 4552 1 11 . 1 1 4 4 TRP HA H 4 4.749 4.749 5.214 -0.465 19012 4553 1 11 . 1 1 4 4 TRP CA C 4 53.792 53.792 56.047 -2.255 19012 4554 1 11 . 1 1 4 4 TRP CB C 4 27.994 27.994 32.549 -4.555 19012 4555 1 11 . 1 1 4 4 TRP H H 4 7.614 7.614 8.538 -0.924 19012 4556 1 11 . 1 1 5 5 THR N N 5 117.669 117.669 116.260 1.409 19012 4557 1 11 . 1 1 5 5 THR HA H 5 4.733 4.733 4.404 0.329 19012 4558 1 11 . 1 1 5 5 THR CA C 5 57.170 57.170 61.541 -4.371 19012 4559 1 11 . 1 1 5 5 THR CB C 5 68.444 68.444 69.498 -1.054 19012 4560 1 11 . 1 1 5 5 THR H H 5 9.387 9.387 8.551 0.836 19012 4561 1 11 . 1 1 6 6 GLU N N 6 121.359 121.359 120.199 1.160 19012 4562 1 11 . 1 1 6 6 GLU HA H 6 4.283 4.283 4.162 0.121 19012 4563 1 11 . 1 1 6 6 GLU CA C 6 53.743 53.743 56.967 -3.224 19012 4564 1 11 . 1 1 6 6 GLU CB C 6 28.184 28.184 30.029 -1.845 19012 4565 1 11 . 1 1 6 6 GLU H H 6 8.027 8.027 8.573 -0.546 19012 4566 1 11 . 1 1 7 7 LEU N N 7 126.701 126.701 126.561 0.140 19012 4567 1 11 . 1 1 7 7 LEU HA H 7 4.217 4.217 4.057 0.160 19012 4568 1 11 . 1 1 7 7 LEU CA C 7 52.720 52.720 55.788 -3.068 19012 4569 1 11 . 1 1 7 7 LEU CB C 7 40.595 40.595 42.150 -1.555 19012 4570 1 11 . 1 1 7 7 LEU H H 7 8.626 8.626 8.506 0.120 19012 4571 1 11 . 1 1 8 8 ASN N N 8 121.528 121.528 123.052 -1.524 19012 4572 1 11 . 1 1 8 8 ASN HA H 8 4.611 4.611 5.124 -0.513 19012 4573 1 11 . 1 1 8 8 ASN CA C 8 49.652 49.652 52.224 -2.572 19012 4574 1 11 . 1 1 8 8 ASN CB C 8 38.102 38.102 42.483 -4.381 19012 4575 1 11 . 1 1 8 8 ASN H H 8 9.218 9.218 8.822 0.396 19012 4576 1 11 . 1 1 9 9 SER N N 9 109.319 109.319 115.271 -5.952 19012 4577 1 11 . 1 1 9 9 SER HA H 9 4.045 4.045 4.505 -0.460 19012 4578 1 11 . 1 1 9 9 SER CA C 9 58.381 58.381 59.435 -1.054 19012 4579 1 11 . 1 1 9 9 SER CB C 9 60.521 60.521 61.543 -1.022 19012 4580 1 11 . 1 1 9 9 SER H H 9 8.268 8.268 8.904 -0.636 19012 4581 1 11 . 1 1 10 10 ASN N N 10 117.403 117.403 119.016 -1.613 19012 4582 1 11 . 1 1 10 10 ASN HA H 10 4.872 4.872 4.925 -0.053 19012 4583 1 11 . 1 1 10 10 ASN CA C 10 52.508 52.508 54.370 -1.862 19012 4584 1 11 . 1 1 10 10 ASN CB C 10 37.905 37.905 40.186 -2.281 19012 4585 1 11 . 1 1 10 10 ASN H H 10 8.610 8.610 8.281 0.329 19012 4586 1 11 . 1 1 11 11 ASN N N 11 119.053 119.053 119.217 -0.164 19012 4587 1 11 . 1 1 11 11 ASN HA H 11 4.396 4.396 4.680 -0.284 19012 4588 1 11 . 1 1 11 11 ASN CA C 11 51.832 51.832 54.561 -2.729 19012 4589 1 11 . 1 1 11 11 ASN CB C 11 34.355 34.355 37.707 -3.352 19012 4590 1 11 . 1 1 11 11 ASN H H 11 8.614 8.614 8.129 0.485 19012 4591 1 11 . 1 1 12 12 ILE N N 12 117.943 117.943 118.727 -0.784 19012 4592 1 11 . 1 1 12 12 ILE HA H 12 4.185 4.185 4.274 -0.089 19012 4593 1 11 . 1 1 12 12 ILE CA C 12 55.309 55.309 60.709 -5.399 19012 4594 1 11 . 1 1 12 12 ILE CB C 12 36.651 36.651 38.709 -2.058 19012 4595 1 11 . 1 1 12 12 ILE H H 12 7.041 7.041 7.460 -0.419 19012 4596 1 11 . 1 1 13 13 ILE N N 13 118.354 118.354 121.445 -3.091 19012 4597 1 11 . 1 1 13 13 ILE HA H 13 3.800 3.800 4.547 -0.747 19012 4598 1 11 . 1 1 13 13 ILE CA C 13 58.469 58.469 60.583 -2.114 19012 4599 1 11 . 1 1 13 13 ILE CB C 13 34.584 34.584 35.193 -0.609 19012 4600 1 11 . 1 1 13 13 ILE H H 13 6.635 6.635 7.444 -0.809 19012 4601 1 11 . 1 1 14 14 GLY N N 14 114.150 114.150 114.977 -0.827 19012 4602 1 11 . 1 1 14 14 GLY CA C 14 41.496 41.496 45.372 -3.876 19012 4603 1 11 . 1 1 14 14 GLY H H 14 8.842 8.842 8.551 0.291 19012 4604 1 11 . 1 1 15 15 TYR N N 15 119.014 119.014 118.906 0.108 19012 4605 1 11 . 1 1 15 15 TYR HA H 15 4.961 4.961 4.901 0.060 19012 4606 1 11 . 1 1 15 15 TYR CA C 15 54.499 54.499 57.387 -2.888 19012 4607 1 11 . 1 1 15 15 TYR CB C 15 38.075 38.075 40.809 -2.734 19012 4608 1 11 . 1 1 15 15 TYR H H 15 8.264 8.264 7.890 0.374 19012 4609 1 11 . 1 1 16 16 TRP N N 16 124.101 124.101 120.489 3.612 19012 4610 1 11 . 1 1 16 16 TRP HA H 16 5.175 5.175 5.431 -0.256 19012 4611 1 11 . 1 1 16 16 TRP CA C 16 52.970 52.970 56.398 -3.428 19012 4612 1 11 . 1 1 16 16 TRP CB C 16 28.341 28.341 33.291 -4.950 19012 4613 1 11 . 1 1 16 16 TRP H H 16 9.497 9.497 8.838 0.659 19012 4614 1 11 . 1 1 17 17 SER N N 17 115.863 115.863 116.821 -0.958 19012 4615 1 11 . 1 1 17 17 SER HA H 17 6.272 6.272 5.514 0.758 19012 4616 1 11 . 1 1 17 17 SER CA C 17 53.039 53.039 55.593 -2.554 19012 4617 1 11 . 1 1 17 17 SER CB C 17 63.415 63.415 66.004 -2.589 19012 4618 1 11 . 1 1 17 17 SER H H 17 9.182 9.182 9.461 -0.279 19012 4619 1 11 . 1 1 18 18 THR N N 18 119.520 119.520 119.811 -0.291 19012 4620 1 11 . 1 1 18 18 THR CB C 18 67.199 67.199 69.678 -2.479 19012 4621 1 11 . 1 1 18 18 THR H H 18 8.996 8.996 8.218 0.778 19012 4622 1 11 . 1 1 19 19 GLY N N 19 110.006 110.006 107.064 2.942 19012 4623 1 11 . 1 1 19 19 GLY CA C 19 42.615 42.615 44.324 -1.709 19012 4624 1 11 . 1 1 19 19 GLY H H 19 8.206 8.206 7.835 0.371 19012 4625 1 11 . 1 1 20 20 ILE N N 20 111.313 111.313 114.405 -3.092 19012 4626 1 11 . 1 1 20 20 ILE HA H 20 3.519 3.519 4.051 -0.532 19012 4627 1 11 . 1 1 20 20 ILE CA C 20 57.765 57.765 60.363 -2.598 19012 4628 1 11 . 1 1 20 20 ILE CB C 20 37.839 37.839 38.423 -0.584 19012 4629 1 11 . 1 1 20 20 ILE H H 20 7.953 7.953 8.072 -0.119 19012 4630 1 11 . 1 1 21 21 GLU N N 21 119.547 119.547 118.678 0.869 19012 4631 1 11 . 1 1 21 21 GLU HA H 21 4.463 4.463 4.595 -0.132 19012 4632 1 11 . 1 1 21 21 GLU CA C 21 52.227 52.227 54.713 -2.486 19012 4633 1 11 . 1 1 21 21 GLU CB C 21 29.468 29.468 31.735 -2.267 19012 4634 1 11 . 1 1 21 21 GLU H H 21 7.514 7.514 7.259 0.255 19012 4635 1 11 . 1 1 22 22 GLY N N 22 109.534 109.534 108.463 1.071 19012 4636 1 11 . 1 1 22 22 GLY CA C 22 43.582 43.582 45.254 -1.672 19012 4637 1 11 . 1 1 22 22 GLY H H 22 8.457 8.457 8.525 -0.068 19012 4638 1 11 . 1 1 23 23 THR N N 23 124.632 124.632 119.334 5.298 19012 4639 1 11 . 1 1 23 23 THR HA H 23 5.271 5.271 4.571 0.700 19012 4640 1 11 . 1 1 23 23 THR CA C 23 60.060 60.060 63.272 -3.212 19012 4641 1 11 . 1 1 23 23 THR CB C 23 65.680 65.680 67.727 -2.047 19012 4642 1 11 . 1 1 23 23 THR H H 23 8.881 8.881 8.364 0.517 19012 4643 1 11 . 1 1 24 24 HIS N N 24 122.881 122.881 122.435 0.446 19012 4644 1 11 . 1 1 24 24 HIS HA H 24 4.780 4.780 4.969 -0.189 19012 4645 1 11 . 1 1 24 24 HIS CA C 24 50.970 50.970 54.038 -3.068 19012 4646 1 11 . 1 1 24 24 HIS CB C 24 27.898 27.898 31.851 -3.953 19012 4647 1 11 . 1 1 24 24 HIS H H 24 8.919 8.919 7.722 1.197 19012 4648 1 11 . 1 1 25 25 LYS N N 25 119.738 119.738 117.744 1.994 19012 4649 1 11 . 1 1 25 25 LYS HA H 25 5.437 5.437 5.304 0.133 19012 4650 1 11 . 1 1 25 25 LYS CA C 25 52.650 52.650 55.876 -3.225 19012 4651 1 11 . 1 1 25 25 LYS CB C 25 33.277 33.277 36.666 -3.389 19012 4652 1 11 . 1 1 25 25 LYS H H 25 8.816 8.816 8.689 0.127 19012 4653 1 11 . 1 1 26 26 LEU N N 26 126.017 126.017 121.121 4.896 19012 4654 1 11 . 1 1 26 26 LEU HA H 26 5.825 5.825 5.571 0.254 19012 4655 1 11 . 1 1 26 26 LEU CA C 26 51.614 51.614 53.573 -1.959 19012 4656 1 11 . 1 1 26 26 LEU CB C 26 44.544 44.544 46.450 -1.906 19012 4657 1 11 . 1 1 26 26 LEU H H 26 9.420 9.420 8.722 0.698 19012 4658 1 11 . 1 1 27 27 LEU N N 27 128.825 128.825 123.013 5.812 19012 4659 1 11 . 1 1 27 27 LEU HA H 27 5.417 5.417 4.979 0.438 19012 4660 1 11 . 1 1 27 27 LEU CA C 27 50.740 50.740 53.126 -2.385 19012 4661 1 11 . 1 1 27 27 LEU CB C 27 44.569 44.569 46.167 -1.598 19012 4662 1 11 . 1 1 27 27 LEU H H 27 9.475 9.475 8.752 0.723 19012 4663 1 11 . 1 1 28 28 SER N N 28 117.701 117.701 113.468 4.233 19012 4664 1 11 . 1 1 28 28 SER HA H 28 5.337 5.337 5.204 0.133 19012 4665 1 11 . 1 1 28 28 SER CA C 28 53.530 53.530 56.269 -2.739 19012 4666 1 11 . 1 1 28 28 SER CB C 28 63.368 63.368 65.563 -2.195 19012 4667 1 11 . 1 1 28 28 SER H H 28 8.859 8.859 7.505 1.354 19012 4668 1 11 . 1 1 29 29 PHE N N 29 117.319 117.319 119.944 -2.625 19012 4669 1 11 . 1 1 29 29 PHE HA H 29 4.679 4.679 4.764 -0.085 19012 4670 1 11 . 1 1 29 29 PHE CA C 29 54.565 54.565 57.558 -2.993 19012 4671 1 11 . 1 1 29 29 PHE CB C 29 39.104 39.104 42.698 -3.594 19012 4672 1 11 . 1 1 29 29 PHE H H 29 8.401 8.401 8.429 -0.028 19012 4673 1 11 . 1 1 30 30 ASP N N 30 123.741 123.741 124.162 -0.421 19012 4674 1 11 . 1 1 30 30 ASP HA H 30 5.217 5.217 5.158 0.059 19012 4675 1 11 . 1 1 30 30 ASP CA C 30 50.408 50.408 54.105 -3.697 19012 4676 1 11 . 1 1 30 30 ASP CB C 30 41.148 41.148 43.707 -2.559 19012 4677 1 11 . 1 1 30 30 ASP H H 30 9.573 9.573 8.988 0.585 19012 4678 1 11 . 1 1 31 31 GLU N N 31 127.123 127.123 118.399 8.724 19012 4679 1 11 . 1 1 31 31 GLU HA H 31 4.127 4.127 4.248 -0.121 19012 4680 1 11 . 1 1 31 31 GLU CA C 31 56.324 56.324 58.825 -2.501 19012 4681 1 11 . 1 1 31 31 GLU CB C 31 27.283 27.283 30.098 -2.814 19012 4682 1 11 . 1 1 31 31 GLU H H 31 9.718 9.718 8.759 0.959 19012 4683 1 11 . 1 1 32 32 ASP N N 32 119.011 119.011 117.196 1.815 19012 4684 1 11 . 1 1 32 32 ASP HA H 32 4.443 4.443 4.760 -0.317 19012 4685 1 11 . 1 1 32 32 ASP CA C 32 50.919 50.919 53.964 -3.045 19012 4686 1 11 . 1 1 32 32 ASP CB C 32 37.344 37.344 41.043 -3.699 19012 4687 1 11 . 1 1 32 32 ASP H H 32 8.911 8.911 8.136 0.775 19012 4688 1 11 . 1 1 33 33 GLY N N 33 106.215 106.215 109.175 -2.960 19012 4689 1 11 . 1 1 33 33 GLY CA C 33 43.879 43.879 45.090 -1.211 19012 4690 1 11 . 1 1 33 33 GLY H H 33 7.781 7.781 8.298 -0.517 19012 4691 1 11 . 1 1 34 34 THR N N 34 111.570 111.570 111.750 -0.180 19012 4692 1 11 . 1 1 34 34 THR HA H 34 5.474 5.474 4.701 0.773 19012 4693 1 11 . 1 1 34 34 THR CA C 34 57.389 57.389 60.679 -3.290 19012 4694 1 11 . 1 1 34 34 THR CB C 34 69.991 69.991 71.113 -1.122 19012 4695 1 11 . 1 1 34 34 THR H H 34 7.863 7.863 7.589 0.274 19012 4696 1 11 . 1 1 35 35 GLY N N 35 106.781 106.781 106.873 -0.092 19012 4697 1 11 . 1 1 35 35 GLY CA C 35 43.233 43.233 42.510 0.724 19012 4698 1 11 . 1 1 35 35 GLY H H 35 8.235 8.235 8.467 -0.232 19012 4699 1 11 . 1 1 36 36 SER N N 36 113.807 113.807 113.624 0.183 19012 4700 1 11 . 1 1 36 36 SER HA H 36 4.659 4.659 4.832 -0.173 19012 4701 1 11 . 1 1 36 36 SER CA C 36 54.509 54.509 56.146 -1.637 19012 4702 1 11 . 1 1 36 36 SER CB C 36 64.821 64.821 65.801 -0.980 19012 4703 1 11 . 1 1 36 36 SER H H 36 8.182 8.182 7.856 0.326 19012 4704 1 11 . 1 1 37 37 PHE N N 37 120.041 120.041 123.323 -3.282 19012 4705 1 11 . 1 1 37 37 PHE HA H 37 5.885 5.885 5.151 0.734 19012 4706 1 11 . 1 1 37 37 PHE CA C 37 52.308 52.308 56.719 -4.412 19012 4707 1 11 . 1 1 37 37 PHE CB C 37 41.174 41.174 42.850 -1.676 19012 4708 1 11 . 1 1 37 37 PHE H H 37 8.829 8.829 8.582 0.247 19012 4709 1 11 . 1 1 38 38 GLY N N 38 115.263 115.263 114.311 0.952 19012 4710 1 11 . 1 1 38 38 GLY CA C 38 42.092 42.092 43.016 -0.923 19012 4711 1 11 . 1 1 38 38 GLY H H 38 8.936 8.936 8.951 -0.015 19012 4712 1 11 . 1 1 39 39 ILE N N 39 119.791 119.791 121.709 -1.918 19012 4713 1 11 . 1 1 39 39 ILE HA H 39 4.292 4.292 4.612 -0.320 19012 4714 1 11 . 1 1 39 39 ILE CA C 39 58.280 58.280 60.173 -1.893 19012 4715 1 11 . 1 1 39 39 ILE CB C 39 36.838 36.838 40.998 -4.160 19012 4716 1 11 . 1 1 39 39 ILE H H 39 7.724 7.724 8.203 -0.479 19012 4717 1 11 . 1 1 40 40 TYR N N 40 125.748 125.748 124.727 1.021 19012 4718 1 11 . 1 1 40 40 TYR HA H 40 4.742 4.742 5.151 -0.409 19012 4719 1 11 . 1 1 40 40 TYR CA C 40 53.881 53.881 56.292 -2.411 19012 4720 1 11 . 1 1 40 40 TYR CB C 40 39.894 39.894 42.408 -2.514 19012 4721 1 11 . 1 1 40 40 TYR H H 40 8.782 8.782 9.026 -0.244 19012 4722 1 11 . 1 1 41 41 SER N N 41 114.721 114.721 115.552 -0.831 19012 4723 1 11 . 1 1 41 41 SER HA H 41 4.689 4.689 4.764 -0.075 19012 4724 1 11 . 1 1 41 41 SER CA C 41 53.337 53.337 57.367 -4.030 19012 4725 1 11 . 1 1 41 41 SER CB C 41 60.205 60.205 63.840 -3.635 19012 4726 1 11 . 1 1 41 41 SER H H 41 8.708 8.708 8.889 -0.181 19012 4727 1 11 . 1 1 42 42 ASN N N 42 124.063 124.063 125.792 -1.729 19012 4728 1 11 . 1 1 42 42 ASN HA H 42 4.298 4.298 4.489 -0.191 19012 4729 1 11 . 1 1 42 42 ASN CA C 42 54.083 54.083 57.153 -3.070 19012 4730 1 11 . 1 1 42 42 ASN CB C 42 34.720 34.720 38.017 -3.296 19012 4731 1 11 . 1 1 42 42 ASN H H 42 9.239 9.239 9.308 -0.069 19012 4732 1 11 . 1 1 43 43 ALA N N 43 125.505 125.505 122.877 2.628 19012 4733 1 11 . 1 1 43 43 ALA HA H 43 4.576 4.576 4.704 -0.128 19012 4734 1 11 . 1 1 43 43 ALA CA C 43 50.170 50.170 52.062 -1.891 19012 4735 1 11 . 1 1 43 43 ALA CB C 43 16.678 16.678 19.904 -3.225 19012 4736 1 11 . 1 1 43 43 ALA H H 43 8.468 8.468 8.049 0.419 19012 4737 1 11 . 1 1 44 44 THR N N 44 119.056 119.056 116.116 2.940 19012 4738 1 11 . 1 1 44 44 THR HA H 44 4.550 4.550 4.750 -0.200 19012 4739 1 11 . 1 1 44 44 THR CA C 44 58.028 58.028 60.118 -2.090 19012 4740 1 11 . 1 1 44 44 THR CB C 44 68.176 68.176 70.568 -2.392 19012 4741 1 11 . 1 1 44 44 THR H H 44 8.420 8.420 7.801 0.619 19012 4742 1 11 . 1 1 45 45 PRO HA H 45 3.797 3.797 4.122 -0.325 19012 4743 1 11 . 1 1 45 45 PRO CA C 45 60.280 60.280 63.008 -2.728 19012 4744 1 11 . 1 1 45 45 PRO CB C 45 28.488 28.488 32.060 -3.572 19012 4745 1 11 . 1 1 46 46 ILE N N 46 124.607 124.607 121.295 3.312 19012 4746 1 11 . 1 1 46 46 ILE HA H 46 4.023 4.023 4.325 -0.302 19012 4747 1 11 . 1 1 46 46 ILE CA C 46 58.609 58.609 61.189 -2.580 19012 4748 1 11 . 1 1 46 46 ILE CB C 46 35.652 35.652 39.425 -3.773 19012 4749 1 11 . 1 1 46 46 ILE H H 46 8.998 8.998 8.637 0.361 19012 4750 1 11 . 1 1 47 47 SER N N 47 112.826 112.826 115.526 -2.700 19012 4751 1 11 . 1 1 47 47 SER HA H 47 4.474 4.474 4.705 -0.231 19012 4752 1 11 . 1 1 47 47 SER CA C 47 54.926 54.926 57.684 -2.758 19012 4753 1 11 . 1 1 47 47 SER CB C 47 62.419 62.419 65.383 -2.964 19012 4754 1 11 . 1 1 47 47 SER H H 47 7.439 7.439 7.640 -0.201 19012 4755 1 11 . 1 1 48 48 PHE N N 48 123.266 123.266 122.886 0.380 19012 4756 1 11 . 1 1 48 48 PHE HA H 48 5.194 5.194 5.000 0.194 19012 4757 1 11 . 1 1 48 48 PHE CA C 48 55.624 55.624 57.700 -2.076 19012 4758 1 11 . 1 1 48 48 PHE CB C 48 40.000 40.000 41.772 -1.772 19012 4759 1 11 . 1 1 48 48 PHE H H 48 8.238 8.238 8.482 -0.244 19012 4760 1 11 . 1 1 49 49 GLN N N 49 123.564 123.564 123.674 -0.110 19012 4761 1 11 . 1 1 49 49 GLN HA H 49 4.935 4.935 4.148 0.787 19012 4762 1 11 . 1 1 49 49 GLN CA C 49 51.294 51.294 54.313 -3.019 19012 4763 1 11 . 1 1 49 49 GLN CB C 49 29.688 29.688 32.316 -2.627 19012 4764 1 11 . 1 1 49 49 GLN H H 49 8.607 8.607 8.084 0.523 19012 4765 1 11 . 1 1 50 50 MET N N 50 120.626 120.626 117.369 3.257 19012 4766 1 11 . 1 1 50 50 MET HA H 50 4.637 4.637 4.621 0.016 19012 4767 1 11 . 1 1 50 50 MET CA C 50 51.562 51.562 54.586 -3.024 19012 4768 1 11 . 1 1 50 50 MET CB C 50 33.549 33.549 38.212 -4.663 19012 4769 1 11 . 1 1 50 50 MET H H 50 9.071 9.071 8.044 1.027 19012 4770 1 11 . 1 1 51 51 PHE N N 51 112.996 112.996 113.988 -0.992 19012 4771 1 11 . 1 1 51 51 PHE HA H 51 4.928 4.928 5.082 -0.154 19012 4772 1 11 . 1 1 51 51 PHE CA C 51 53.899 53.899 56.784 -2.885 19012 4773 1 11 . 1 1 51 51 PHE CB C 51 38.018 38.018 40.779 -2.761 19012 4774 1 11 . 1 1 52 52 ASP N N 52 118.727 118.727 121.024 -2.297 19012 4775 1 11 . 1 1 52 52 ASP HA H 52 5.640 5.640 4.779 0.861 19012 4776 1 11 . 1 1 52 52 ASP CA C 52 50.264 50.264 55.970 -5.706 19012 4777 1 11 . 1 1 52 52 ASP CB C 52 38.971 38.971 42.375 -3.404 19012 4778 1 11 . 1 1 52 52 ASP H H 52 8.469 8.469 8.119 0.350 19012 4779 1 11 . 1 1 53 53 TYR N N 53 115.709 115.709 115.490 0.219 19012 4780 1 11 . 1 1 53 53 TYR HA H 53 6.351 6.351 5.600 0.751 19012 4781 1 11 . 1 1 53 53 TYR CA C 53 53.296 53.296 56.136 -2.841 19012 4782 1 11 . 1 1 53 53 TYR CB C 53 40.764 40.764 41.993 -1.229 19012 4783 1 11 . 1 1 53 53 TYR H H 53 8.725 8.725 8.297 0.428 19012 4784 1 11 . 1 1 54 54 LYS N N 54 118.766 118.766 119.381 -0.615 19012 4785 1 11 . 1 1 54 54 LYS HA H 54 4.445 4.445 4.678 -0.233 19012 4786 1 11 . 1 1 54 54 LYS CA C 54 52.187 52.187 54.191 -2.004 19012 4787 1 11 . 1 1 54 54 LYS CB C 54 34.819 34.819 36.961 -2.142 19012 4788 1 11 . 1 1 54 54 LYS H H 54 8.972 8.972 9.023 -0.051 19012 4789 1 11 . 1 1 55 55 ILE N N 55 122.406 122.406 121.719 0.687 19012 4790 1 11 . 1 1 55 55 ILE HA H 55 4.796 4.796 5.051 -0.255 19012 4791 1 11 . 1 1 55 55 ILE CA C 55 56.172 56.172 59.873 -3.701 19012 4792 1 11 . 1 1 55 55 ILE CB C 55 33.404 33.404 36.870 -3.466 19012 4793 1 11 . 1 1 55 55 ILE H H 55 8.832 8.832 8.526 0.306 19012 4794 1 11 . 1 1 56 56 GLU N N 56 128.507 128.507 127.066 1.441 19012 4795 1 11 . 1 1 56 56 GLU HA H 56 4.575 4.575 4.482 0.093 19012 4796 1 11 . 1 1 56 56 GLU CA C 56 52.300 52.300 56.293 -3.993 19012 4797 1 11 . 1 1 56 56 GLU CB C 56 30.432 30.432 31.329 -0.897 19012 4798 1 11 . 1 1 56 56 GLU H H 56 8.787 8.787 8.683 0.104 19012 4799 1 11 . 1 1 57 57 GLU N N 57 125.606 125.606 118.873 6.733 19012 4800 1 11 . 1 1 57 57 GLU HA H 57 3.809 3.809 4.424 -0.615 19012 4801 1 11 . 1 1 57 57 GLU CA C 57 54.254 54.254 56.454 -2.200 19012 4802 1 11 . 1 1 57 57 GLU CB C 57 25.445 25.445 30.561 -5.116 19012 4803 1 11 . 1 1 57 57 GLU H H 57 9.296 9.296 8.385 0.911 19012 4804 1 11 . 1 1 58 58 GLY N N 58 103.913 103.913 108.149 -4.236 19012 4805 1 11 . 1 1 58 58 GLY CA C 58 43.401 43.401 46.020 -2.619 19012 4806 1 11 . 1 1 58 58 GLY H H 58 8.267 8.267 8.619 -0.352 19012 4807 1 11 . 1 1 59 59 ARG N N 59 119.125 119.125 116.318 2.807 19012 4808 1 11 . 1 1 59 59 ARG HA H 59 4.787 4.787 4.834 -0.047 19012 4809 1 11 . 1 1 59 59 ARG CA C 59 51.812 51.812 54.044 -2.232 19012 4810 1 11 . 1 1 59 59 ARG CB C 59 32.023 32.023 34.446 -2.423 19012 4811 1 11 . 1 1 59 59 ARG H H 59 7.840 7.840 7.483 0.357 19012 4812 1 11 . 1 1 60 60 ILE N N 60 118.464 118.464 118.943 -0.479 19012 4813 1 11 . 1 1 60 60 ILE HA H 60 4.409 4.409 4.795 -0.386 19012 4814 1 11 . 1 1 60 60 ILE CA C 60 58.461 58.461 60.927 -2.466 19012 4815 1 11 . 1 1 60 60 ILE CB C 60 36.943 36.943 39.377 -2.434 19012 4816 1 11 . 1 1 60 60 ILE H H 60 8.150 8.150 8.559 -0.409 19012 4817 1 11 . 1 1 61 61 TYR N N 61 130.267 130.267 126.194 4.073 19012 4818 1 11 . 1 1 61 61 TYR HA H 61 4.399 4.399 4.777 -0.378 19012 4819 1 11 . 1 1 61 61 TYR CA C 61 53.435 53.435 55.560 -2.125 19012 4820 1 11 . 1 1 61 61 TYR CB C 61 37.443 37.443 40.919 -3.475 19012 4821 1 11 . 1 1 61 61 TYR H H 61 9.304 9.304 8.892 0.412 19012 4822 1 11 . 1 1 62 62 ILE N N 62 129.152 129.152 126.918 2.234 19012 4823 1 11 . 1 1 62 62 ILE HA H 62 4.035 4.035 4.209 -0.174 19012 4824 1 11 . 1 1 62 62 ILE CA C 62 55.538 55.538 57.989 -2.451 19012 4825 1 11 . 1 1 62 62 ILE CB C 62 33.654 33.654 38.664 -5.010 19012 4826 1 11 . 1 1 62 62 ILE H H 62 8.326 8.326 8.673 -0.347 19012 4827 1 11 . 1 1 63 63 TYR N N 63 119.836 119.836 119.815 0.021 19012 4828 1 11 . 1 1 63 63 TYR HA H 63 4.563 4.563 4.527 0.036 19012 4829 1 11 . 1 1 63 63 TYR CA C 63 52.035 52.035 56.844 -4.809 19012 4830 1 11 . 1 1 63 63 TYR CB C 63 36.267 36.267 39.625 -3.358 19012 4831 1 11 . 1 1 63 63 TYR H H 63 8.397 8.397 8.008 0.389 19012 4832 1 11 . 1 1 64 64 ASP N N 64 117.747 117.747 120.388 -2.641 19012 4833 1 11 . 1 1 64 64 ASP HA H 64 4.270 4.270 4.770 -0.500 19012 4834 1 11 . 1 1 64 64 ASP CA C 64 51.384 51.384 53.845 -2.461 19012 4835 1 11 . 1 1 64 64 ASP CB C 64 35.510 35.510 44.129 -8.619 19012 4836 1 11 . 1 1 64 64 ASP H H 64 8.570 8.570 7.554 1.016 19012 4837 1 11 . 1 1 65 65 VAL N N 65 117.619 117.619 123.267 -5.648 19012 4838 1 11 . 1 1 65 65 VAL HA H 65 4.329 4.329 4.892 -0.563 19012 4839 1 11 . 1 1 65 65 VAL CA C 65 61.015 61.015 60.829 0.186 19012 4840 1 11 . 1 1 65 65 VAL CB C 65 29.350 29.350 35.001 -5.651 19012 4841 1 11 . 1 1 65 65 VAL H H 65 8.116 8.116 8.247 -0.131 19012 4842 1 11 . 1 1 66 66 TYR N N 66 127.317 127.317 125.847 1.470 19012 4843 1 11 . 1 1 66 66 TYR HA H 66 4.567 4.567 5.061 -0.494 19012 4844 1 11 . 1 1 66 66 TYR CA C 66 53.116 53.116 55.580 -2.464 19012 4845 1 11 . 1 1 66 66 TYR CB C 66 39.090 39.090 41.153 -2.063 19012 4846 1 11 . 1 1 66 66 TYR H H 66 8.911 8.911 9.043 -0.132 19012 4847 1 11 . 1 1 67 67 PRO HA H 67 3.778 3.778 4.401 -0.623 19012 4848 1 11 . 1 1 67 67 PRO CA C 67 60.736 60.736 63.554 -2.818 19012 4849 1 11 . 1 1 67 67 PRO CB C 67 32.039 32.039 31.754 0.285 19012 4850 1 11 . 1 1 68 68 ASP N N 68 122.446 122.446 120.082 2.364 19012 4851 1 11 . 1 1 68 68 ASP HA H 68 4.595 4.595 4.739 -0.143 19012 4852 1 11 . 1 1 68 68 ASP CA C 68 51.405 51.405 53.182 -1.777 19012 4853 1 11 . 1 1 68 68 ASP CB C 68 37.732 37.732 42.450 -4.718 19012 4854 1 11 . 1 1 68 68 ASP H H 68 8.017 8.017 7.911 0.106 19012 4855 1 11 . 1 1 69 69 GLU N N 69 121.842 121.842 122.989 -1.147 19012 4856 1 11 . 1 1 69 69 GLU HA H 69 4.167 4.167 4.452 -0.285 19012 4857 1 11 . 1 1 69 69 GLU CA C 69 54.191 54.191 56.704 -2.513 19012 4858 1 11 . 1 1 69 69 GLU CB C 69 27.200 27.200 30.421 -3.221 19012 4859 1 11 . 1 1 69 69 GLU H H 69 8.109 8.109 8.524 -0.415 19012 4860 1 11 . 1 1 70 70 LYS N N 70 121.975 121.975 124.952 -2.977 19012 4861 1 11 . 1 1 70 70 LYS HA H 70 4.532 4.532 4.496 0.036 19012 4862 1 11 . 1 1 70 70 LYS CA C 70 52.097 52.097 55.084 -2.987 19012 4863 1 11 . 1 1 70 70 LYS CB C 70 33.247 33.247 33.281 -0.034 19012 4864 1 11 . 1 1 70 70 LYS H H 70 7.646 7.646 8.236 -0.590 19012 4865 1 11 . 1 1 71 71 THR N N 71 120.177 120.177 117.113 3.064 19012 4866 1 11 . 1 1 71 71 THR HA H 71 4.386 4.386 4.274 0.112 19012 4867 1 11 . 1 1 71 71 THR CA C 71 58.759 58.759 60.963 -2.204 19012 4868 1 11 . 1 1 71 71 THR CB C 71 66.724 66.724 69.309 -2.585 19012 4869 1 11 . 1 1 71 71 THR H H 71 8.258 8.258 8.357 -0.099 19012 4870 1 11 . 1 1 72 72 PRO HA H 72 4.389 4.389 4.161 0.228 19012 4871 1 11 . 1 1 72 72 PRO CA C 72 61.688 61.688 62.924 -1.236 19012 4872 1 11 . 1 1 72 72 PRO CB C 72 31.440 31.440 32.369 -0.929 19012 4873 1 11 . 1 1 73 73 TYR N N 73 118.747 118.747 118.745 0.002 19012 4874 1 11 . 1 1 73 73 TYR HA H 73 4.857 4.857 4.818 0.039 19012 4875 1 11 . 1 1 73 73 TYR CA C 73 52.643 52.643 55.801 -3.158 19012 4876 1 11 . 1 1 73 73 TYR CB C 73 37.470 37.470 39.711 -2.241 19012 4877 1 11 . 1 1 73 73 TYR H H 73 7.988 7.988 7.713 0.275 19012 4878 1 11 . 1 1 74 74 TYR N N 74 114.692 114.692 118.746 -4.054 19012 4879 1 11 . 1 1 74 74 TYR HA H 74 5.548 5.548 5.516 0.032 19012 4880 1 11 . 1 1 74 74 TYR CA C 74 53.855 53.855 57.559 -3.704 19012 4881 1 11 . 1 1 74 74 TYR CB C 74 39.316 39.316 40.954 -1.638 19012 4882 1 11 . 1 1 74 74 TYR H H 74 8.370 8.370 8.579 -0.209 19012 4883 1 11 . 1 1 75 75 LEU N N 75 120.717 120.717 123.275 -2.558 19012 4884 1 11 . 1 1 75 75 LEU HA H 75 4.456 4.456 4.677 -0.221 19012 4885 1 11 . 1 1 75 75 LEU CA C 75 50.648 50.648 53.590 -2.942 19012 4886 1 11 . 1 1 75 75 LEU CB C 75 41.979 41.979 45.184 -3.205 19012 4887 1 11 . 1 1 75 75 LEU H H 75 9.467 9.467 8.878 0.589 19012 4888 1 11 . 1 1 76 76 ASP N N 76 123.675 123.675 125.963 -2.288 19012 4889 1 11 . 1 1 76 76 ASP HA H 76 5.041 5.041 4.550 0.491 19012 4890 1 11 . 1 1 76 76 ASP CA C 76 51.324 51.324 55.977 -4.654 19012 4891 1 11 . 1 1 76 76 ASP CB C 76 39.376 39.376 40.662 -1.286 19012 4892 1 11 . 1 1 76 76 ASP H H 76 7.825 7.825 8.830 -1.005 19012 4893 1 11 . 1 1 77 77 CYS N N 77 118.147 118.147 121.600 -3.453 19012 4894 1 11 . 1 1 77 77 CYS HA H 77 5.514 5.514 5.186 0.328 19012 4895 1 11 . 1 1 77 77 CYS CA C 77 53.205 53.205 56.323 -3.118 19012 4896 1 11 . 1 1 77 77 CYS CB C 77 30.347 30.347 32.553 -2.205 19012 4897 1 11 . 1 1 77 77 CYS H H 77 8.504 8.504 8.355 0.149 19012 4898 1 11 . 1 1 78 78 LYS N N 78 119.791 119.791 117.600 2.191 19012 4899 1 11 . 1 1 78 78 LYS HA H 78 4.398 4.398 4.536 -0.138 19012 4900 1 11 . 1 1 78 78 LYS CA C 78 52.033 52.033 54.633 -2.600 19012 4901 1 11 . 1 1 78 78 LYS CB C 78 33.618 33.618 35.877 -2.259 19012 4902 1 11 . 1 1 78 78 LYS H H 78 8.483 8.483 8.590 -0.107 19012 4903 1 11 . 1 1 79 79 ILE N N 79 122.179 122.179 119.110 3.069 19012 4904 1 11 . 1 1 79 79 ILE HA H 79 5.410 5.410 5.057 0.353 19012 4905 1 11 . 1 1 79 79 ILE CA C 79 56.581 56.581 60.194 -3.613 19012 4906 1 11 . 1 1 79 79 ILE CB C 79 41.302 41.302 42.227 -0.925 19012 4907 1 11 . 1 1 79 79 ILE H H 79 8.923 8.923 8.854 0.069 19012 4908 1 11 . 1 1 80 80 SER N N 80 122.640 122.640 122.032 0.608 19012 4909 1 11 . 1 1 80 80 SER HA H 80 4.760 4.760 5.136 -0.376 19012 4910 1 11 . 1 1 80 80 SER CB C 80 62.504 62.504 64.199 -1.695 19012 4911 1 11 . 1 1 80 80 SER H H 80 9.150 9.150 9.082 0.068 19012 4912 1 11 . 1 1 81 81 GLY N N 81 111.781 111.781 111.730 0.051 19012 4913 1 11 . 1 1 81 81 GLY CA C 81 44.910 44.910 46.700 -1.790 19012 4914 1 11 . 1 1 81 81 GLY H H 81 8.832 8.832 8.926 -0.094 19012 4915 1 11 . 1 1 82 82 THR N N 82 110.902 110.902 113.017 -2.115 19012 4916 1 11 . 1 1 82 82 THR HA H 82 4.541 4.541 4.606 -0.065 19012 4917 1 11 . 1 1 82 82 THR CA C 82 58.833 58.833 61.493 -2.660 19012 4918 1 11 . 1 1 82 82 THR H H 82 8.284 8.284 7.898 0.386 19012 4919 1 11 . 1 1 83 83 THR N N 83 119.808 119.808 119.318 0.490 19012 4920 1 11 . 1 1 83 83 THR HA H 83 5.576 5.576 5.234 0.342 19012 4921 1 11 . 1 1 83 83 THR CA C 83 59.711 59.711 62.105 -2.394 19012 4922 1 11 . 1 1 83 83 THR CB C 83 68.486 68.486 70.016 -1.530 19012 4923 1 11 . 1 1 83 83 THR H H 83 8.178 8.178 7.928 0.250 19012 4924 1 11 . 1 1 84 84 LEU N N 84 128.946 128.946 129.720 -0.774 19012 4925 1 11 . 1 1 84 84 LEU HA H 84 4.787 4.787 4.262 0.525 19012 4926 1 11 . 1 1 84 84 LEU CA C 84 50.979 50.979 54.240 -3.261 19012 4927 1 11 . 1 1 84 84 LEU CB C 84 43.114 43.114 42.548 0.566 19012 4928 1 11 . 1 1 84 84 LEU H H 84 9.103 9.103 9.455 -0.352 19012 4929 1 11 . 1 1 85 85 LYS N N 85 129.439 129.439 129.032 0.407 19012 4930 1 11 . 1 1 85 85 LYS HA H 85 5.220 5.220 4.812 0.408 19012 4931 1 11 . 1 1 85 85 LYS CA C 85 52.028 52.028 54.554 -2.526 19012 4932 1 11 . 1 1 85 85 LYS CB C 85 32.656 32.656 33.618 -0.962 19012 4933 1 11 . 1 1 85 85 LYS H H 85 9.336 9.336 8.712 0.624 19012 4934 1 11 . 1 1 86 86 VAL N N 86 127.719 127.719 127.397 0.322 19012 4935 1 11 . 1 1 86 86 VAL HA H 86 4.279 4.279 3.853 0.425 19012 4936 1 11 . 1 1 86 86 VAL CA C 86 59.179 59.179 63.092 -3.913 19012 4937 1 11 . 1 1 86 86 VAL CB C 86 29.826 29.826 31.885 -2.059 19012 4938 1 11 . 1 1 86 86 VAL H H 86 9.122 9.122 8.292 0.830 19012 4939 1 11 . 1 1 87 87 GLU N N 87 126.504 126.504 125.999 0.505 19012 4940 1 11 . 1 1 87 87 GLU HA H 87 4.215 4.215 4.461 -0.246 19012 4941 1 11 . 1 1 87 87 GLU CA C 87 55.427 55.427 56.995 -1.568 19012 4942 1 11 . 1 1 87 87 GLU CB C 87 29.038 29.038 31.281 -2.243 19012 4943 1 11 . 1 1 87 87 GLU H H 87 8.960 8.960 8.927 0.033 19012 4944 1 11 . 1 1 88 88 THR N N 88 109.146 109.146 111.961 -2.815 19012 4945 1 11 . 1 1 88 88 THR HA H 88 4.560 4.560 4.453 0.107 19012 4946 1 11 . 1 1 88 88 THR CA C 88 57.802 57.802 61.491 -3.689 19012 4947 1 11 . 1 1 88 88 THR CB C 88 69.805 69.805 70.521 -0.716 19012 4948 1 11 . 1 1 88 88 THR H H 88 7.079 7.079 7.548 -0.469 19012 4949 1 11 . 1 1 89 89 GLY N N 89 102.665 102.665 111.108 -8.443 19012 4950 1 11 . 1 1 89 89 GLY CA C 89 42.083 42.083 44.684 -2.601 19012 4951 1 11 . 1 1 89 89 GLY H H 89 7.984 7.984 8.000 -0.016 19012 4952 1 11 . 1 1 90 90 SER N N 90 118.973 118.973 116.501 2.472 19012 4953 1 11 . 1 1 90 90 SER HA H 90 4.103 4.103 4.150 -0.047 19012 4954 1 11 . 1 1 90 90 SER CA C 90 58.840 58.840 60.962 -2.122 19012 4955 1 11 . 1 1 90 90 SER CB C 90 60.079 60.079 62.943 -2.864 19012 4956 1 11 . 1 1 90 90 SER H H 90 8.854 8.854 8.555 0.299 19012 4957 1 11 . 1 1 91 91 GLU N N 91 120.699 120.699 117.750 2.949 19012 4958 1 11 . 1 1 91 91 GLU HA H 91 3.676 3.676 4.397 -0.721 19012 4959 1 11 . 1 1 91 91 GLU CA C 91 54.571 54.571 55.254 -0.683 19012 4960 1 11 . 1 1 91 91 GLU CB C 91 26.627 26.627 29.606 -2.979 19012 4961 1 11 . 1 1 91 91 GLU H H 91 10.220 10.220 8.158 2.062 19012 4962 1 11 . 1 1 92 92 ALA N N 92 121.411 121.411 122.240 -0.829 19012 4963 1 11 . 1 1 92 92 ALA HA H 92 3.691 3.691 4.104 -0.413 19012 4964 1 11 . 1 1 92 92 ALA CA C 92 50.916 50.916 53.161 -2.245 19012 4965 1 11 . 1 1 92 92 ALA CB C 92 16.118 16.118 18.343 -2.225 19012 4966 1 11 . 1 1 92 92 ALA H H 92 7.014 7.014 7.522 -0.508 19012 4967 1 11 . 1 1 93 93 GLY N N 93 109.056 109.056 112.266 -3.210 19012 4968 1 11 . 1 1 93 93 GLY CA C 93 42.601 42.601 45.436 -2.835 19012 4969 1 11 . 1 1 93 93 GLY H H 93 8.706 8.706 8.441 0.265 19012 4970 1 11 . 1 1 94 94 THR N N 94 117.255 117.255 116.450 0.805 19012 4971 1 11 . 1 1 94 94 THR HA H 94 4.831 4.831 5.430 -0.599 19012 4972 1 11 . 1 1 94 94 THR CA C 94 60.491 60.491 61.039 -0.548 19012 4973 1 11 . 1 1 94 94 THR CB C 94 66.403 66.403 70.671 -4.268 19012 4974 1 11 . 1 1 94 94 THR H H 94 8.637 8.637 8.068 0.569 19012 4975 1 11 . 1 1 95 95 TYR N N 95 127.051 127.051 127.016 0.035 19012 4976 1 11 . 1 1 95 95 TYR HA H 95 4.564 4.564 4.946 -0.382 19012 4977 1 11 . 1 1 95 95 TYR CA C 95 53.889 53.889 57.064 -3.175 19012 4978 1 11 . 1 1 95 95 TYR CB C 95 39.733 39.733 42.461 -2.728 19012 4979 1 11 . 1 1 95 95 TYR H H 95 10.060 10.060 9.416 0.644 19012 4980 1 11 . 1 1 96 96 LYS N N 96 119.487 119.487 123.044 -3.557 19012 4981 1 11 . 1 1 96 96 LYS HA H 96 5.668 5.668 5.380 0.288 19012 4982 1 11 . 1 1 96 96 LYS CA C 96 50.781 50.781 55.165 -4.384 19012 4983 1 11 . 1 1 96 96 LYS CB C 96 31.840 31.840 33.798 -1.958 19012 4984 1 11 . 1 1 96 96 LYS H H 96 8.960 8.960 9.173 -0.213 19012 4985 1 11 . 1 1 97 97 LYS N N 97 128.866 128.866 123.117 5.749 19012 4986 1 11 . 1 1 97 97 LYS HA H 97 3.701 3.701 3.795 -0.094 19012 4987 1 11 . 1 1 97 97 LYS CA C 97 55.022 55.022 56.874 -1.852 19012 4988 1 11 . 1 1 97 97 LYS CB C 97 30.744 30.744 32.932 -2.188 19012 4989 1 11 . 1 1 97 97 LYS H H 97 8.729 8.729 8.214 0.515 19012 4990 1 11 . 1 1 98 98 GLN N N 98 127.056 127.056 121.049 6.007 19012 4991 1 11 . 1 1 98 98 GLN HA H 98 4.244 4.244 4.597 -0.353 19012 4992 1 11 . 1 1 98 98 GLN CA C 98 52.689 52.689 54.720 -2.031 19012 4993 1 11 . 1 1 98 98 GLN CB C 98 28.065 28.065 32.594 -4.529 19012 4994 1 11 . 1 1 98 98 GLN H H 98 8.992 8.992 8.424 0.568 19012 4995 1 12 . 1 1 2 2 GLU N N 2 119.968 119.968 124.851 -4.883 19012 4996 1 12 . 1 1 2 2 GLU HA H 2 4.009 4.009 4.201 -0.192 19012 4997 1 12 . 1 1 2 2 GLU CA C 2 53.190 53.190 55.864 -2.674 19012 4998 1 12 . 1 1 2 2 GLU CB C 2 27.574 27.574 30.281 -2.707 19012 4999 1 12 . 1 1 2 2 GLU H H 2 8.212 8.212 8.484 -0.272 19012 5000 1 12 . 1 1 3 3 ASP N N 3 122.057 122.057 123.597 -1.540 19012 5001 1 12 . 1 1 3 3 ASP HA H 3 4.509 4.509 4.840 -0.331 19012 5002 1 12 . 1 1 3 3 ASP CA C 3 50.691 50.691 53.600 -2.909 19012 5003 1 12 . 1 1 3 3 ASP CB C 3 38.121 38.121 41.421 -3.300 19012 5004 1 12 . 1 1 3 3 ASP H H 3 8.209 8.209 7.907 0.302 19012 5005 1 12 . 1 1 4 4 TRP N N 4 121.397 121.397 122.951 -1.554 19012 5006 1 12 . 1 1 4 4 TRP HA H 4 4.749 4.749 4.992 -0.243 19012 5007 1 12 . 1 1 4 4 TRP CA C 4 53.792 53.792 56.100 -2.308 19012 5008 1 12 . 1 1 4 4 TRP CB C 4 27.994 27.994 31.037 -3.043 19012 5009 1 12 . 1 1 4 4 TRP H H 4 7.614 7.614 8.424 -0.810 19012 5010 1 12 . 1 1 5 5 THR N N 5 117.669 117.669 115.706 1.963 19012 5011 1 12 . 1 1 5 5 THR HA H 5 4.733 4.733 4.477 0.256 19012 5012 1 12 . 1 1 5 5 THR CA C 5 57.170 57.170 61.609 -4.439 19012 5013 1 12 . 1 1 5 5 THR CB C 5 68.444 68.444 69.407 -0.963 19012 5014 1 12 . 1 1 5 5 THR H H 5 9.387 9.387 8.724 0.663 19012 5015 1 12 . 1 1 6 6 GLU N N 6 121.359 121.359 119.265 2.094 19012 5016 1 12 . 1 1 6 6 GLU HA H 6 4.283 4.283 4.184 0.099 19012 5017 1 12 . 1 1 6 6 GLU CA C 6 53.743 53.743 57.092 -3.349 19012 5018 1 12 . 1 1 6 6 GLU CB C 6 28.184 28.184 30.202 -2.018 19012 5019 1 12 . 1 1 6 6 GLU H H 6 8.027 8.027 8.509 -0.482 19012 5020 1 12 . 1 1 7 7 LEU N N 7 126.701 126.701 124.272 2.429 19012 5021 1 12 . 1 1 7 7 LEU HA H 7 4.217 4.217 4.417 -0.200 19012 5022 1 12 . 1 1 7 7 LEU CA C 7 52.720 52.720 55.112 -2.392 19012 5023 1 12 . 1 1 7 7 LEU CB C 7 40.595 40.595 42.757 -2.162 19012 5024 1 12 . 1 1 7 7 LEU H H 7 8.626 8.626 8.501 0.125 19012 5025 1 12 . 1 1 8 8 ASN N N 8 121.528 121.528 123.217 -1.689 19012 5026 1 12 . 1 1 8 8 ASN HA H 8 4.611 4.611 4.970 -0.359 19012 5027 1 12 . 1 1 8 8 ASN CA C 8 49.652 49.652 52.428 -2.776 19012 5028 1 12 . 1 1 8 8 ASN CB C 8 38.102 38.102 42.379 -4.277 19012 5029 1 12 . 1 1 8 8 ASN H H 8 9.218 9.218 8.613 0.605 19012 5030 1 12 . 1 1 9 9 SER N N 9 109.319 109.319 115.666 -6.347 19012 5031 1 12 . 1 1 9 9 SER HA H 9 4.045 4.045 4.436 -0.391 19012 5032 1 12 . 1 1 9 9 SER CA C 9 58.381 58.381 60.499 -2.118 19012 5033 1 12 . 1 1 9 9 SER CB C 9 60.521 60.521 63.164 -2.643 19012 5034 1 12 . 1 1 9 9 SER H H 9 8.268 8.268 8.912 -0.644 19012 5035 1 12 . 1 1 10 10 ASN N N 10 117.403 117.403 117.049 0.354 19012 5036 1 12 . 1 1 10 10 ASN HA H 10 4.872 4.872 4.878 -0.006 19012 5037 1 12 . 1 1 10 10 ASN CA C 10 52.508 52.508 54.962 -2.454 19012 5038 1 12 . 1 1 10 10 ASN CB C 10 37.905 37.905 38.856 -0.951 19012 5039 1 12 . 1 1 10 10 ASN H H 10 8.610 8.610 8.375 0.235 19012 5040 1 12 . 1 1 11 11 ASN N N 11 119.053 119.053 118.929 0.124 19012 5041 1 12 . 1 1 11 11 ASN HA H 11 4.396 4.396 4.609 -0.213 19012 5042 1 12 . 1 1 11 11 ASN CA C 11 51.832 51.832 55.511 -3.679 19012 5043 1 12 . 1 1 11 11 ASN CB C 11 34.355 34.355 37.711 -3.356 19012 5044 1 12 . 1 1 11 11 ASN H H 11 8.614 8.614 8.545 0.069 19012 5045 1 12 . 1 1 12 12 ILE N N 12 117.943 117.943 116.536 1.407 19012 5046 1 12 . 1 1 12 12 ILE HA H 12 4.185 4.185 4.381 -0.196 19012 5047 1 12 . 1 1 12 12 ILE CA C 12 55.309 55.309 60.023 -4.715 19012 5048 1 12 . 1 1 12 12 ILE CB C 12 36.651 36.651 38.898 -2.247 19012 5049 1 12 . 1 1 12 12 ILE H H 12 7.041 7.041 7.366 -0.325 19012 5050 1 12 . 1 1 13 13 ILE N N 13 118.354 118.354 121.495 -3.141 19012 5051 1 12 . 1 1 13 13 ILE HA H 13 3.800 3.800 4.143 -0.343 19012 5052 1 12 . 1 1 13 13 ILE CA C 13 58.469 58.469 60.844 -2.375 19012 5053 1 12 . 1 1 13 13 ILE CB C 13 34.584 34.584 35.760 -1.175 19012 5054 1 12 . 1 1 13 13 ILE H H 13 6.635 6.635 7.595 -0.960 19012 5055 1 12 . 1 1 14 14 GLY N N 14 114.150 114.150 114.417 -0.267 19012 5056 1 12 . 1 1 14 14 GLY CA C 14 41.496 41.496 44.830 -3.334 19012 5057 1 12 . 1 1 14 14 GLY H H 14 8.842 8.842 8.496 0.346 19012 5058 1 12 . 1 1 15 15 TYR N N 15 119.014 119.014 118.777 0.237 19012 5059 1 12 . 1 1 15 15 TYR HA H 15 4.961 4.961 4.717 0.244 19012 5060 1 12 . 1 1 15 15 TYR CA C 15 54.499 54.499 58.541 -4.042 19012 5061 1 12 . 1 1 15 15 TYR CB C 15 38.075 38.075 40.543 -2.468 19012 5062 1 12 . 1 1 15 15 TYR H H 15 8.264 8.264 7.977 0.287 19012 5063 1 12 . 1 1 16 16 TRP N N 16 124.101 124.101 118.511 5.590 19012 5064 1 12 . 1 1 16 16 TRP HA H 16 5.175 5.175 5.542 -0.367 19012 5065 1 12 . 1 1 16 16 TRP CA C 16 52.970 52.970 56.343 -3.373 19012 5066 1 12 . 1 1 16 16 TRP CB C 16 28.341 28.341 33.682 -5.341 19012 5067 1 12 . 1 1 16 16 TRP H H 16 9.497 9.497 7.995 1.502 19012 5068 1 12 . 1 1 17 17 SER N N 17 115.863 115.863 112.861 3.002 19012 5069 1 12 . 1 1 17 17 SER HA H 17 6.272 6.272 4.960 1.312 19012 5070 1 12 . 1 1 17 17 SER CA C 17 53.039 53.039 58.305 -5.266 19012 5071 1 12 . 1 1 17 17 SER CB C 17 63.415 63.415 65.025 -1.610 19012 5072 1 12 . 1 1 17 17 SER H H 17 9.182 9.182 9.020 0.162 19012 5073 1 12 . 1 1 18 18 THR N N 18 119.520 119.520 117.285 2.235 19012 5074 1 12 . 1 1 18 18 THR CB C 18 67.199 67.199 69.612 -2.413 19012 5075 1 12 . 1 1 18 18 THR H H 18 8.996 8.996 8.671 0.325 19012 5076 1 12 . 1 1 19 19 GLY N N 19 110.006 110.006 109.089 0.917 19012 5077 1 12 . 1 1 19 19 GLY CA C 19 42.615 42.615 45.620 -3.005 19012 5078 1 12 . 1 1 19 19 GLY H H 19 8.206 8.206 7.282 0.924 19012 5079 1 12 . 1 1 20 20 ILE N N 20 111.313 111.313 112.840 -1.527 19012 5080 1 12 . 1 1 20 20 ILE HA H 20 3.519 3.519 3.960 -0.441 19012 5081 1 12 . 1 1 20 20 ILE CA C 20 57.765 57.765 60.682 -2.917 19012 5082 1 12 . 1 1 20 20 ILE CB C 20 37.839 37.839 38.465 -0.625 19012 5083 1 12 . 1 1 20 20 ILE H H 20 7.953 7.953 8.150 -0.197 19012 5084 1 12 . 1 1 21 21 GLU N N 21 119.547 119.547 119.795 -0.248 19012 5085 1 12 . 1 1 21 21 GLU HA H 21 4.463 4.463 4.739 -0.276 19012 5086 1 12 . 1 1 21 21 GLU CA C 21 52.227 52.227 54.683 -2.456 19012 5087 1 12 . 1 1 21 21 GLU CB C 21 29.468 29.468 31.340 -1.872 19012 5088 1 12 . 1 1 21 21 GLU H H 21 7.514 7.514 7.588 -0.074 19012 5089 1 12 . 1 1 22 22 GLY N N 22 109.534 109.534 108.981 0.553 19012 5090 1 12 . 1 1 22 22 GLY CA C 22 43.582 43.582 46.335 -2.753 19012 5091 1 12 . 1 1 22 22 GLY H H 22 8.457 8.457 8.751 -0.294 19012 5092 1 12 . 1 1 23 23 THR N N 23 124.632 124.632 119.372 5.260 19012 5093 1 12 . 1 1 23 23 THR HA H 23 5.271 5.271 5.206 0.065 19012 5094 1 12 . 1 1 23 23 THR CA C 23 60.060 60.060 60.831 -0.771 19012 5095 1 12 . 1 1 23 23 THR CB C 23 65.680 65.680 69.905 -4.225 19012 5096 1 12 . 1 1 23 23 THR H H 23 8.881 8.881 8.335 0.546 19012 5097 1 12 . 1 1 24 24 HIS N N 24 122.881 122.881 123.072 -0.191 19012 5098 1 12 . 1 1 24 24 HIS HA H 24 4.780 4.780 5.026 -0.246 19012 5099 1 12 . 1 1 24 24 HIS CA C 24 50.970 50.970 53.953 -2.983 19012 5100 1 12 . 1 1 24 24 HIS CB C 24 27.898 27.898 31.957 -4.059 19012 5101 1 12 . 1 1 24 24 HIS H H 24 8.919 8.919 8.344 0.575 19012 5102 1 12 . 1 1 25 25 LYS N N 25 119.738 119.738 119.582 0.156 19012 5103 1 12 . 1 1 25 25 LYS HA H 25 5.437 5.437 5.006 0.431 19012 5104 1 12 . 1 1 25 25 LYS CA C 25 52.650 52.650 55.999 -3.349 19012 5105 1 12 . 1 1 25 25 LYS CB C 25 33.277 33.277 36.275 -2.998 19012 5106 1 12 . 1 1 25 25 LYS H H 25 8.816 8.816 8.784 0.032 19012 5107 1 12 . 1 1 26 26 LEU N N 26 126.017 126.017 125.268 0.749 19012 5108 1 12 . 1 1 26 26 LEU HA H 26 5.825 5.825 4.956 0.869 19012 5109 1 12 . 1 1 26 26 LEU CA C 26 51.614 51.614 53.180 -1.566 19012 5110 1 12 . 1 1 26 26 LEU CB C 26 44.544 44.544 43.507 1.038 19012 5111 1 12 . 1 1 26 26 LEU H H 26 9.420 9.420 8.999 0.421 19012 5112 1 12 . 1 1 27 27 LEU N N 27 128.825 128.825 127.685 1.140 19012 5113 1 12 . 1 1 27 27 LEU HA H 27 5.417 5.417 5.015 0.402 19012 5114 1 12 . 1 1 27 27 LEU CA C 27 50.740 50.740 55.102 -4.362 19012 5115 1 12 . 1 1 27 27 LEU CB C 27 44.569 44.569 43.504 1.065 19012 5116 1 12 . 1 1 27 27 LEU H H 27 9.475 9.475 8.865 0.610 19012 5117 1 12 . 1 1 28 28 SER N N 28 117.701 117.701 112.726 4.975 19012 5118 1 12 . 1 1 28 28 SER HA H 28 5.337 5.337 4.982 0.355 19012 5119 1 12 . 1 1 28 28 SER CA C 28 53.530 53.530 56.296 -2.766 19012 5120 1 12 . 1 1 28 28 SER CB C 28 63.368 63.368 66.062 -2.694 19012 5121 1 12 . 1 1 28 28 SER H H 28 8.859 8.859 8.201 0.658 19012 5122 1 12 . 1 1 29 29 PHE N N 29 117.319 117.319 118.993 -1.674 19012 5123 1 12 . 1 1 29 29 PHE HA H 29 4.679 4.679 4.709 -0.030 19012 5124 1 12 . 1 1 29 29 PHE CA C 29 54.565 54.565 57.779 -3.213 19012 5125 1 12 . 1 1 29 29 PHE CB C 29 39.104 39.104 42.945 -3.841 19012 5126 1 12 . 1 1 29 29 PHE H H 29 8.401 8.401 8.867 -0.466 19012 5127 1 12 . 1 1 30 30 ASP N N 30 123.741 123.741 124.461 -0.720 19012 5128 1 12 . 1 1 30 30 ASP HA H 30 5.217 5.217 5.004 0.213 19012 5129 1 12 . 1 1 30 30 ASP CA C 30 50.408 50.408 54.142 -3.734 19012 5130 1 12 . 1 1 30 30 ASP CB C 30 41.148 41.148 42.498 -1.349 19012 5131 1 12 . 1 1 30 30 ASP H H 30 9.573 9.573 8.825 0.748 19012 5132 1 12 . 1 1 31 31 GLU N N 31 127.123 127.123 120.039 7.084 19012 5133 1 12 . 1 1 31 31 GLU HA H 31 4.127 4.127 4.234 -0.107 19012 5134 1 12 . 1 1 31 31 GLU CA C 31 56.324 56.324 58.934 -2.610 19012 5135 1 12 . 1 1 31 31 GLU CB C 31 27.283 27.283 30.489 -3.206 19012 5136 1 12 . 1 1 31 31 GLU H H 31 9.718 9.718 8.617 1.101 19012 5137 1 12 . 1 1 32 32 ASP N N 32 119.011 119.011 115.896 3.115 19012 5138 1 12 . 1 1 32 32 ASP HA H 32 4.443 4.443 4.750 -0.307 19012 5139 1 12 . 1 1 32 32 ASP CA C 32 50.919 50.919 53.893 -2.974 19012 5140 1 12 . 1 1 32 32 ASP CB C 32 37.344 37.344 40.386 -3.042 19012 5141 1 12 . 1 1 32 32 ASP H H 32 8.911 8.911 8.098 0.813 19012 5142 1 12 . 1 1 33 33 GLY N N 33 106.215 106.215 108.841 -2.626 19012 5143 1 12 . 1 1 33 33 GLY CA C 33 43.879 43.879 45.152 -1.273 19012 5144 1 12 . 1 1 33 33 GLY H H 33 7.781 7.781 8.077 -0.296 19012 5145 1 12 . 1 1 34 34 THR N N 34 111.570 111.570 111.125 0.445 19012 5146 1 12 . 1 1 34 34 THR HA H 34 5.474 5.474 4.584 0.890 19012 5147 1 12 . 1 1 34 34 THR CA C 34 57.389 57.389 60.943 -3.554 19012 5148 1 12 . 1 1 34 34 THR CB C 34 69.991 69.991 71.705 -1.714 19012 5149 1 12 . 1 1 34 34 THR H H 34 7.863 7.863 7.480 0.383 19012 5150 1 12 . 1 1 35 35 GLY N N 35 106.781 106.781 106.575 0.206 19012 5151 1 12 . 1 1 35 35 GLY CA C 35 43.233 43.233 42.511 0.722 19012 5152 1 12 . 1 1 35 35 GLY H H 35 8.235 8.235 8.371 -0.136 19012 5153 1 12 . 1 1 36 36 SER N N 36 113.807 113.807 113.318 0.489 19012 5154 1 12 . 1 1 36 36 SER HA H 36 4.659 4.659 4.800 -0.141 19012 5155 1 12 . 1 1 36 36 SER CA C 36 54.509 54.509 57.538 -3.029 19012 5156 1 12 . 1 1 36 36 SER CB C 36 64.821 64.821 67.186 -2.365 19012 5157 1 12 . 1 1 36 36 SER H H 36 8.182 8.182 7.930 0.252 19012 5158 1 12 . 1 1 37 37 PHE N N 37 120.041 120.041 123.778 -3.737 19012 5159 1 12 . 1 1 37 37 PHE HA H 37 5.885 5.885 5.070 0.815 19012 5160 1 12 . 1 1 37 37 PHE CA C 37 52.308 52.308 56.374 -4.066 19012 5161 1 12 . 1 1 37 37 PHE CB C 37 41.174 41.174 43.002 -1.828 19012 5162 1 12 . 1 1 37 37 PHE H H 37 8.829 8.829 8.218 0.611 19012 5163 1 12 . 1 1 38 38 GLY N N 38 115.263 115.263 113.332 1.931 19012 5164 1 12 . 1 1 38 38 GLY CA C 38 42.092 42.092 42.730 -0.638 19012 5165 1 12 . 1 1 38 38 GLY H H 38 8.936 8.936 8.786 0.150 19012 5166 1 12 . 1 1 39 39 ILE N N 39 119.791 119.791 120.168 -0.377 19012 5167 1 12 . 1 1 39 39 ILE HA H 39 4.292 4.292 4.773 -0.481 19012 5168 1 12 . 1 1 39 39 ILE CA C 39 58.280 58.280 60.015 -1.735 19012 5169 1 12 . 1 1 39 39 ILE CB C 39 36.838 36.838 41.661 -4.823 19012 5170 1 12 . 1 1 39 39 ILE H H 39 7.724 7.724 7.538 0.186 19012 5171 1 12 . 1 1 40 40 TYR N N 40 125.748 125.748 123.203 2.545 19012 5172 1 12 . 1 1 40 40 TYR HA H 40 4.742 4.742 5.131 -0.389 19012 5173 1 12 . 1 1 40 40 TYR CA C 40 53.881 53.881 56.448 -2.567 19012 5174 1 12 . 1 1 40 40 TYR CB C 40 39.894 39.894 42.371 -2.477 19012 5175 1 12 . 1 1 40 40 TYR H H 40 8.782 8.782 9.089 -0.307 19012 5176 1 12 . 1 1 41 41 SER N N 41 114.721 114.721 116.785 -2.064 19012 5177 1 12 . 1 1 41 41 SER HA H 41 4.689 4.689 5.045 -0.356 19012 5178 1 12 . 1 1 41 41 SER CA C 41 53.337 53.337 57.054 -3.717 19012 5179 1 12 . 1 1 41 41 SER CB C 41 60.205 60.205 63.889 -3.684 19012 5180 1 12 . 1 1 41 41 SER H H 41 8.708 8.708 8.393 0.315 19012 5181 1 12 . 1 1 42 42 ASN N N 42 124.063 124.063 127.072 -3.009 19012 5182 1 12 . 1 1 42 42 ASN HA H 42 4.298 4.298 4.354 -0.056 19012 5183 1 12 . 1 1 42 42 ASN CA C 42 54.083 54.083 56.314 -2.231 19012 5184 1 12 . 1 1 42 42 ASN CB C 42 34.720 34.720 37.698 -2.978 19012 5185 1 12 . 1 1 42 42 ASN H H 42 9.239 9.239 9.365 -0.126 19012 5186 1 12 . 1 1 43 43 ALA N N 43 125.505 125.505 124.878 0.627 19012 5187 1 12 . 1 1 43 43 ALA HA H 43 4.576 4.576 4.783 -0.207 19012 5188 1 12 . 1 1 43 43 ALA CA C 43 50.170 50.170 52.487 -2.317 19012 5189 1 12 . 1 1 43 43 ALA CB C 43 16.678 16.678 19.893 -3.216 19012 5190 1 12 . 1 1 43 43 ALA H H 43 8.468 8.468 8.038 0.430 19012 5191 1 12 . 1 1 44 44 THR N N 44 119.056 119.056 116.748 2.308 19012 5192 1 12 . 1 1 44 44 THR HA H 44 4.550 4.550 4.815 -0.265 19012 5193 1 12 . 1 1 44 44 THR CA C 44 58.028 58.028 59.925 -1.897 19012 5194 1 12 . 1 1 44 44 THR CB C 44 68.176 68.176 70.812 -2.636 19012 5195 1 12 . 1 1 44 44 THR H H 44 8.420 8.420 8.239 0.181 19012 5196 1 12 . 1 1 45 45 PRO HA H 45 3.797 3.797 3.864 -0.067 19012 5197 1 12 . 1 1 45 45 PRO CA C 45 60.280 60.280 62.981 -2.701 19012 5198 1 12 . 1 1 45 45 PRO CB C 45 28.488 28.488 32.106 -3.618 19012 5199 1 12 . 1 1 46 46 ILE N N 46 124.607 124.607 121.275 3.332 19012 5200 1 12 . 1 1 46 46 ILE HA H 46 4.023 4.023 4.282 -0.259 19012 5201 1 12 . 1 1 46 46 ILE CA C 46 58.609 58.609 61.080 -2.471 19012 5202 1 12 . 1 1 46 46 ILE CB C 46 35.652 35.652 39.778 -4.125 19012 5203 1 12 . 1 1 46 46 ILE H H 46 8.998 8.998 8.545 0.453 19012 5204 1 12 . 1 1 47 47 SER N N 47 112.826 112.826 114.878 -2.052 19012 5205 1 12 . 1 1 47 47 SER HA H 47 4.474 4.474 4.725 -0.251 19012 5206 1 12 . 1 1 47 47 SER CA C 47 54.926 54.926 57.414 -2.489 19012 5207 1 12 . 1 1 47 47 SER CB C 47 62.419 62.419 64.934 -2.515 19012 5208 1 12 . 1 1 47 47 SER H H 47 7.439 7.439 7.567 -0.128 19012 5209 1 12 . 1 1 48 48 PHE N N 48 123.266 123.266 119.917 3.349 19012 5210 1 12 . 1 1 48 48 PHE HA H 48 5.194 5.194 4.787 0.407 19012 5211 1 12 . 1 1 48 48 PHE CA C 48 55.624 55.624 57.908 -2.284 19012 5212 1 12 . 1 1 48 48 PHE CB C 48 40.000 40.000 42.417 -2.417 19012 5213 1 12 . 1 1 48 48 PHE H H 48 8.238 8.238 8.392 -0.154 19012 5214 1 12 . 1 1 49 49 GLN N N 49 123.564 123.564 119.873 3.691 19012 5215 1 12 . 1 1 49 49 GLN HA H 49 4.935 4.935 4.662 0.273 19012 5216 1 12 . 1 1 49 49 GLN CA C 49 51.294 51.294 54.531 -3.237 19012 5217 1 12 . 1 1 49 49 GLN CB C 49 29.688 29.688 32.048 -2.360 19012 5218 1 12 . 1 1 49 49 GLN H H 49 8.607 8.607 7.751 0.856 19012 5219 1 12 . 1 1 50 50 MET N N 50 120.626 120.626 118.483 2.143 19012 5220 1 12 . 1 1 50 50 MET HA H 50 4.637 4.637 5.202 -0.565 19012 5221 1 12 . 1 1 50 50 MET CA C 50 51.562 51.562 54.511 -2.949 19012 5222 1 12 . 1 1 50 50 MET CB C 50 33.549 33.549 37.698 -4.149 19012 5223 1 12 . 1 1 50 50 MET H H 50 9.071 9.071 8.544 0.527 19012 5224 1 12 . 1 1 51 51 PHE N N 51 112.996 112.996 114.156 -1.160 19012 5225 1 12 . 1 1 51 51 PHE HA H 51 4.928 4.928 5.075 -0.147 19012 5226 1 12 . 1 1 51 51 PHE CA C 51 53.899 53.899 56.516 -2.617 19012 5227 1 12 . 1 1 51 51 PHE CB C 51 38.018 38.018 41.145 -3.127 19012 5228 1 12 . 1 1 52 52 ASP N N 52 118.727 118.727 121.444 -2.717 19012 5229 1 12 . 1 1 52 52 ASP HA H 52 5.640 5.640 4.831 0.809 19012 5230 1 12 . 1 1 52 52 ASP CA C 52 50.264 50.264 53.913 -3.649 19012 5231 1 12 . 1 1 52 52 ASP CB C 52 38.971 38.971 43.785 -4.814 19012 5232 1 12 . 1 1 52 52 ASP H H 52 8.469 8.469 8.310 0.159 19012 5233 1 12 . 1 1 53 53 TYR N N 53 115.709 115.709 115.411 0.298 19012 5234 1 12 . 1 1 53 53 TYR HA H 53 6.351 6.351 5.645 0.706 19012 5235 1 12 . 1 1 53 53 TYR CA C 53 53.296 53.296 56.248 -2.952 19012 5236 1 12 . 1 1 53 53 TYR CB C 53 40.764 40.764 42.071 -1.307 19012 5237 1 12 . 1 1 53 53 TYR H H 53 8.725 8.725 8.327 0.398 19012 5238 1 12 . 1 1 54 54 LYS N N 54 118.766 118.766 119.273 -0.507 19012 5239 1 12 . 1 1 54 54 LYS HA H 54 4.445 4.445 4.650 -0.205 19012 5240 1 12 . 1 1 54 54 LYS CA C 54 52.187 52.187 54.117 -1.929 19012 5241 1 12 . 1 1 54 54 LYS CB C 54 34.819 34.819 37.948 -3.129 19012 5242 1 12 . 1 1 54 54 LYS H H 54 8.972 8.972 8.961 0.011 19012 5243 1 12 . 1 1 55 55 ILE N N 55 122.406 122.406 122.888 -0.482 19012 5244 1 12 . 1 1 55 55 ILE HA H 55 4.796 4.796 4.859 -0.063 19012 5245 1 12 . 1 1 55 55 ILE CA C 55 56.172 56.172 59.120 -2.948 19012 5246 1 12 . 1 1 55 55 ILE CB C 55 33.404 33.404 36.408 -3.005 19012 5247 1 12 . 1 1 55 55 ILE H H 55 8.832 8.832 8.641 0.191 19012 5248 1 12 . 1 1 56 56 GLU N N 56 128.507 128.507 125.705 2.802 19012 5249 1 12 . 1 1 56 56 GLU HA H 56 4.575 4.575 4.514 0.061 19012 5250 1 12 . 1 1 56 56 GLU CA C 56 52.300 52.300 56.358 -4.058 19012 5251 1 12 . 1 1 56 56 GLU CB C 56 30.432 30.432 30.320 0.112 19012 5252 1 12 . 1 1 56 56 GLU H H 56 8.787 8.787 9.027 -0.240 19012 5253 1 12 . 1 1 57 57 GLU N N 57 125.606 125.606 118.264 7.342 19012 5254 1 12 . 1 1 57 57 GLU HA H 57 3.809 3.809 4.339 -0.530 19012 5255 1 12 . 1 1 57 57 GLU CA C 57 54.254 54.254 57.242 -2.987 19012 5256 1 12 . 1 1 57 57 GLU CB C 57 25.445 25.445 29.832 -4.387 19012 5257 1 12 . 1 1 57 57 GLU H H 57 9.296 9.296 8.226 1.070 19012 5258 1 12 . 1 1 58 58 GLY N N 58 103.913 103.913 107.282 -3.369 19012 5259 1 12 . 1 1 58 58 GLY CA C 58 43.401 43.401 45.733 -2.332 19012 5260 1 12 . 1 1 58 58 GLY H H 58 8.267 8.267 8.557 -0.290 19012 5261 1 12 . 1 1 59 59 ARG N N 59 119.125 119.125 117.379 1.746 19012 5262 1 12 . 1 1 59 59 ARG HA H 59 4.787 4.787 4.627 0.160 19012 5263 1 12 . 1 1 59 59 ARG CA C 59 51.812 51.812 54.066 -2.254 19012 5264 1 12 . 1 1 59 59 ARG CB C 59 32.023 32.023 33.563 -1.540 19012 5265 1 12 . 1 1 59 59 ARG H H 59 7.840 7.840 7.585 0.255 19012 5266 1 12 . 1 1 60 60 ILE N N 60 118.464 118.464 119.882 -1.418 19012 5267 1 12 . 1 1 60 60 ILE HA H 60 4.409 4.409 4.732 -0.323 19012 5268 1 12 . 1 1 60 60 ILE CA C 60 58.461 58.461 60.445 -1.984 19012 5269 1 12 . 1 1 60 60 ILE CB C 60 36.943 36.943 39.090 -2.147 19012 5270 1 12 . 1 1 60 60 ILE H H 60 8.150 8.150 8.469 -0.319 19012 5271 1 12 . 1 1 61 61 TYR N N 61 130.267 130.267 130.740 -0.473 19012 5272 1 12 . 1 1 61 61 TYR HA H 61 4.399 4.399 4.560 -0.161 19012 5273 1 12 . 1 1 61 61 TYR CA C 61 53.435 53.435 57.496 -4.061 19012 5274 1 12 . 1 1 61 61 TYR CB C 61 37.443 37.443 38.972 -1.529 19012 5275 1 12 . 1 1 61 61 TYR H H 61 9.304 9.304 9.194 0.110 19012 5276 1 12 . 1 1 62 62 ILE N N 62 129.152 129.152 127.252 1.900 19012 5277 1 12 . 1 1 62 62 ILE HA H 62 4.035 4.035 4.397 -0.362 19012 5278 1 12 . 1 1 62 62 ILE CA C 62 55.538 55.538 58.443 -2.905 19012 5279 1 12 . 1 1 62 62 ILE CB C 62 33.654 33.654 38.632 -4.978 19012 5280 1 12 . 1 1 62 62 ILE H H 62 8.326 8.326 8.605 -0.279 19012 5281 1 12 . 1 1 63 63 TYR N N 63 119.836 119.836 120.297 -0.461 19012 5282 1 12 . 1 1 63 63 TYR HA H 63 4.563 4.563 4.475 0.088 19012 5283 1 12 . 1 1 63 63 TYR CA C 63 52.035 52.035 56.295 -4.260 19012 5284 1 12 . 1 1 63 63 TYR CB C 63 36.267 36.267 40.090 -3.823 19012 5285 1 12 . 1 1 63 63 TYR H H 63 8.397 8.397 7.893 0.504 19012 5286 1 12 . 1 1 64 64 ASP N N 64 117.747 117.747 120.304 -2.557 19012 5287 1 12 . 1 1 64 64 ASP HA H 64 4.270 4.270 4.661 -0.391 19012 5288 1 12 . 1 1 64 64 ASP CA C 64 51.384 51.384 54.182 -2.798 19012 5289 1 12 . 1 1 64 64 ASP CB C 64 35.510 35.510 42.902 -7.392 19012 5290 1 12 . 1 1 64 64 ASP H H 64 8.570 8.570 7.645 0.925 19012 5291 1 12 . 1 1 65 65 VAL N N 65 117.619 117.619 122.908 -5.289 19012 5292 1 12 . 1 1 65 65 VAL HA H 65 4.329 4.329 5.006 -0.677 19012 5293 1 12 . 1 1 65 65 VAL CA C 65 61.015 61.015 60.769 0.246 19012 5294 1 12 . 1 1 65 65 VAL CB C 65 29.350 29.350 35.652 -6.302 19012 5295 1 12 . 1 1 65 65 VAL H H 65 8.116 8.116 8.093 0.023 19012 5296 1 12 . 1 1 66 66 TYR N N 66 127.317 127.317 124.829 2.488 19012 5297 1 12 . 1 1 66 66 TYR HA H 66 4.567 4.567 5.059 -0.492 19012 5298 1 12 . 1 1 66 66 TYR CA C 66 53.116 53.116 56.041 -2.925 19012 5299 1 12 . 1 1 66 66 TYR CB C 66 39.090 39.090 40.881 -1.791 19012 5300 1 12 . 1 1 66 66 TYR H H 66 8.911 8.911 8.588 0.323 19012 5301 1 12 . 1 1 67 67 PRO HA H 67 3.778 3.778 4.401 -0.623 19012 5302 1 12 . 1 1 67 67 PRO CA C 67 60.736 60.736 63.535 -2.799 19012 5303 1 12 . 1 1 67 67 PRO CB C 67 32.039 32.039 31.707 0.332 19012 5304 1 12 . 1 1 68 68 ASP N N 68 122.446 122.446 120.539 1.907 19012 5305 1 12 . 1 1 68 68 ASP HA H 68 4.595 4.595 4.769 -0.174 19012 5306 1 12 . 1 1 68 68 ASP CA C 68 51.405 51.405 53.539 -2.134 19012 5307 1 12 . 1 1 68 68 ASP CB C 68 37.732 37.732 41.585 -3.853 19012 5308 1 12 . 1 1 68 68 ASP H H 68 8.017 8.017 7.798 0.219 19012 5309 1 12 . 1 1 69 69 GLU N N 69 121.842 121.842 123.377 -1.535 19012 5310 1 12 . 1 1 69 69 GLU HA H 69 4.167 4.167 4.163 0.004 19012 5311 1 12 . 1 1 69 69 GLU CA C 69 54.191 54.191 56.187 -1.996 19012 5312 1 12 . 1 1 69 69 GLU CB C 69 27.200 27.200 30.645 -3.445 19012 5313 1 12 . 1 1 69 69 GLU H H 69 8.109 8.109 8.570 -0.461 19012 5314 1 12 . 1 1 70 70 LYS N N 70 121.975 121.975 121.729 0.246 19012 5315 1 12 . 1 1 70 70 LYS HA H 70 4.532 4.532 4.524 0.008 19012 5316 1 12 . 1 1 70 70 LYS CA C 70 52.097 52.097 54.485 -2.388 19012 5317 1 12 . 1 1 70 70 LYS CB C 70 33.247 33.247 34.006 -0.759 19012 5318 1 12 . 1 1 70 70 LYS H H 70 7.646 7.646 8.103 -0.457 19012 5319 1 12 . 1 1 71 71 THR N N 71 120.177 120.177 117.414 2.763 19012 5320 1 12 . 1 1 71 71 THR HA H 71 4.386 4.386 4.283 0.103 19012 5321 1 12 . 1 1 71 71 THR CA C 71 58.759 58.759 60.773 -2.014 19012 5322 1 12 . 1 1 71 71 THR CB C 71 66.724 66.724 69.406 -2.682 19012 5323 1 12 . 1 1 71 71 THR H H 71 8.258 8.258 8.355 -0.097 19012 5324 1 12 . 1 1 72 72 PRO HA H 72 4.389 4.389 4.155 0.234 19012 5325 1 12 . 1 1 72 72 PRO CA C 72 61.688 61.688 62.834 -1.146 19012 5326 1 12 . 1 1 72 72 PRO CB C 72 31.440 31.440 32.513 -1.073 19012 5327 1 12 . 1 1 73 73 TYR N N 73 118.747 118.747 118.538 0.209 19012 5328 1 12 . 1 1 73 73 TYR HA H 73 4.857 4.857 4.897 -0.040 19012 5329 1 12 . 1 1 73 73 TYR CA C 73 52.643 52.643 55.638 -2.995 19012 5330 1 12 . 1 1 73 73 TYR CB C 73 37.470 37.470 39.243 -1.774 19012 5331 1 12 . 1 1 73 73 TYR H H 73 7.988 7.988 8.003 -0.015 19012 5332 1 12 . 1 1 74 74 TYR N N 74 114.692 114.692 119.421 -4.729 19012 5333 1 12 . 1 1 74 74 TYR HA H 74 5.548 5.548 5.480 0.068 19012 5334 1 12 . 1 1 74 74 TYR CA C 74 53.855 53.855 56.571 -2.716 19012 5335 1 12 . 1 1 74 74 TYR CB C 74 39.316 39.316 40.555 -1.239 19012 5336 1 12 . 1 1 74 74 TYR H H 74 8.370 8.370 8.727 -0.357 19012 5337 1 12 . 1 1 75 75 LEU N N 75 120.717 120.717 126.222 -5.505 19012 5338 1 12 . 1 1 75 75 LEU HA H 75 4.456 4.456 4.563 -0.107 19012 5339 1 12 . 1 1 75 75 LEU CA C 75 50.648 50.648 53.766 -3.118 19012 5340 1 12 . 1 1 75 75 LEU CB C 75 41.979 41.979 43.121 -1.142 19012 5341 1 12 . 1 1 75 75 LEU H H 75 9.467 9.467 9.100 0.367 19012 5342 1 12 . 1 1 76 76 ASP N N 76 123.675 123.675 125.876 -2.201 19012 5343 1 12 . 1 1 76 76 ASP HA H 76 5.041 5.041 4.565 0.476 19012 5344 1 12 . 1 1 76 76 ASP CA C 76 51.324 51.324 56.035 -4.711 19012 5345 1 12 . 1 1 76 76 ASP CB C 76 39.376 39.376 40.147 -0.771 19012 5346 1 12 . 1 1 76 76 ASP H H 76 7.825 7.825 8.855 -1.030 19012 5347 1 12 . 1 1 77 77 CYS N N 77 118.147 118.147 118.892 -0.745 19012 5348 1 12 . 1 1 77 77 CYS HA H 77 5.514 5.514 5.258 0.256 19012 5349 1 12 . 1 1 77 77 CYS CA C 77 53.205 53.205 55.462 -2.257 19012 5350 1 12 . 1 1 77 77 CYS CB C 77 30.347 30.347 31.941 -1.594 19012 5351 1 12 . 1 1 77 77 CYS H H 77 8.504 8.504 8.228 0.276 19012 5352 1 12 . 1 1 78 78 LYS N N 78 119.791 119.791 119.355 0.436 19012 5353 1 12 . 1 1 78 78 LYS HA H 78 4.398 4.398 4.526 -0.128 19012 5354 1 12 . 1 1 78 78 LYS CA C 78 52.033 52.033 54.970 -2.937 19012 5355 1 12 . 1 1 78 78 LYS CB C 78 33.618 33.618 35.609 -1.991 19012 5356 1 12 . 1 1 78 78 LYS H H 78 8.483 8.483 8.371 0.112 19012 5357 1 12 . 1 1 79 79 ILE N N 79 122.179 122.179 119.577 2.602 19012 5358 1 12 . 1 1 79 79 ILE HA H 79 5.410 5.410 4.942 0.468 19012 5359 1 12 . 1 1 79 79 ILE CA C 79 56.581 56.581 59.742 -3.161 19012 5360 1 12 . 1 1 79 79 ILE CB C 79 41.302 41.302 42.122 -0.820 19012 5361 1 12 . 1 1 79 79 ILE H H 79 8.923 8.923 8.528 0.395 19012 5362 1 12 . 1 1 80 80 SER N N 80 122.640 122.640 119.097 3.543 19012 5363 1 12 . 1 1 80 80 SER HA H 80 4.760 4.760 5.039 -0.279 19012 5364 1 12 . 1 1 80 80 SER CB C 80 62.504 62.504 65.369 -2.865 19012 5365 1 12 . 1 1 80 80 SER H H 80 9.150 9.150 9.243 -0.093 19012 5366 1 12 . 1 1 81 81 GLY N N 81 111.781 111.781 111.817 -0.036 19012 5367 1 12 . 1 1 81 81 GLY CA C 81 44.910 44.910 45.993 -1.083 19012 5368 1 12 . 1 1 81 81 GLY H H 81 8.832 8.832 8.459 0.373 19012 5369 1 12 . 1 1 82 82 THR N N 82 110.902 110.902 115.398 -4.496 19012 5370 1 12 . 1 1 82 82 THR HA H 82 4.541 4.541 4.530 0.011 19012 5371 1 12 . 1 1 82 82 THR CA C 82 58.833 58.833 61.792 -2.959 19012 5372 1 12 . 1 1 82 82 THR H H 82 8.284 8.284 8.238 0.046 19012 5373 1 12 . 1 1 83 83 THR N N 83 119.808 119.808 120.813 -1.005 19012 5374 1 12 . 1 1 83 83 THR HA H 83 5.576 5.576 5.253 0.323 19012 5375 1 12 . 1 1 83 83 THR CA C 83 59.711 59.711 62.251 -2.540 19012 5376 1 12 . 1 1 83 83 THR CB C 83 68.486 68.486 69.968 -1.482 19012 5377 1 12 . 1 1 83 83 THR H H 83 8.178 8.178 8.134 0.044 19012 5378 1 12 . 1 1 84 84 LEU N N 84 128.946 128.946 128.655 0.291 19012 5379 1 12 . 1 1 84 84 LEU HA H 84 4.787 4.787 4.119 0.668 19012 5380 1 12 . 1 1 84 84 LEU CA C 84 50.979 50.979 54.522 -3.542 19012 5381 1 12 . 1 1 84 84 LEU CB C 84 43.114 43.114 43.175 -0.061 19012 5382 1 12 . 1 1 84 84 LEU H H 84 9.103 9.103 9.311 -0.208 19012 5383 1 12 . 1 1 85 85 LYS N N 85 129.439 129.439 127.207 2.232 19012 5384 1 12 . 1 1 85 85 LYS HA H 85 5.220 5.220 4.820 0.400 19012 5385 1 12 . 1 1 85 85 LYS CA C 85 52.028 52.028 54.569 -2.541 19012 5386 1 12 . 1 1 85 85 LYS CB C 85 32.656 32.656 33.151 -0.495 19012 5387 1 12 . 1 1 85 85 LYS H H 85 9.336 9.336 8.571 0.765 19012 5388 1 12 . 1 1 86 86 VAL N N 86 127.719 127.719 127.721 -0.002 19012 5389 1 12 . 1 1 86 86 VAL HA H 86 4.279 4.279 3.929 0.350 19012 5390 1 12 . 1 1 86 86 VAL CA C 86 59.179 59.179 63.144 -3.965 19012 5391 1 12 . 1 1 86 86 VAL CB C 86 29.826 29.826 32.192 -2.366 19012 5392 1 12 . 1 1 86 86 VAL H H 86 9.122 9.122 8.139 0.983 19012 5393 1 12 . 1 1 87 87 GLU N N 87 126.504 126.504 127.861 -1.357 19012 5394 1 12 . 1 1 87 87 GLU HA H 87 4.215 4.215 4.452 -0.237 19012 5395 1 12 . 1 1 87 87 GLU CA C 87 55.427 55.427 57.050 -1.623 19012 5396 1 12 . 1 1 87 87 GLU CB C 87 29.038 29.038 31.277 -2.239 19012 5397 1 12 . 1 1 87 87 GLU H H 87 8.960 8.960 9.064 -0.104 19012 5398 1 12 . 1 1 88 88 THR N N 88 109.146 109.146 111.868 -2.722 19012 5399 1 12 . 1 1 88 88 THR HA H 88 4.560 4.560 4.428 0.132 19012 5400 1 12 . 1 1 88 88 THR CA C 88 57.802 57.802 61.606 -3.804 19012 5401 1 12 . 1 1 88 88 THR CB C 88 69.805 69.805 70.702 -0.897 19012 5402 1 12 . 1 1 88 88 THR H H 88 7.079 7.079 7.523 -0.444 19012 5403 1 12 . 1 1 89 89 GLY N N 89 102.665 102.665 110.284 -7.619 19012 5404 1 12 . 1 1 89 89 GLY CA C 89 42.083 42.083 44.405 -2.322 19012 5405 1 12 . 1 1 89 89 GLY H H 89 7.984 7.984 8.109 -0.125 19012 5406 1 12 . 1 1 90 90 SER N N 90 118.973 118.973 116.621 2.352 19012 5407 1 12 . 1 1 90 90 SER HA H 90 4.103 4.103 4.013 0.090 19012 5408 1 12 . 1 1 90 90 SER CA C 90 58.840 58.840 60.552 -1.712 19012 5409 1 12 . 1 1 90 90 SER CB C 90 60.079 60.079 62.802 -2.723 19012 5410 1 12 . 1 1 90 90 SER H H 90 8.854 8.854 8.559 0.295 19012 5411 1 12 . 1 1 91 91 GLU N N 91 120.699 120.699 117.679 3.020 19012 5412 1 12 . 1 1 91 91 GLU HA H 91 3.676 3.676 4.358 -0.682 19012 5413 1 12 . 1 1 91 91 GLU CA C 91 54.571 54.571 54.920 -0.349 19012 5414 1 12 . 1 1 91 91 GLU CB C 91 26.627 26.627 29.135 -2.508 19012 5415 1 12 . 1 1 91 91 GLU H H 91 10.220 10.220 8.029 2.191 19012 5416 1 12 . 1 1 92 92 ALA N N 92 121.411 121.411 122.650 -1.239 19012 5417 1 12 . 1 1 92 92 ALA HA H 92 3.691 3.691 4.136 -0.445 19012 5418 1 12 . 1 1 92 92 ALA CA C 92 50.916 50.916 53.215 -2.299 19012 5419 1 12 . 1 1 92 92 ALA CB C 92 16.118 16.118 18.348 -2.229 19012 5420 1 12 . 1 1 92 92 ALA H H 92 7.014 7.014 7.305 -0.291 19012 5421 1 12 . 1 1 93 93 GLY N N 93 109.056 109.056 111.583 -2.527 19012 5422 1 12 . 1 1 93 93 GLY CA C 93 42.601 42.601 45.529 -2.928 19012 5423 1 12 . 1 1 93 93 GLY H H 93 8.706 8.706 8.033 0.673 19012 5424 1 12 . 1 1 94 94 THR N N 94 117.255 117.255 116.538 0.717 19012 5425 1 12 . 1 1 94 94 THR HA H 94 4.831 4.831 5.477 -0.646 19012 5426 1 12 . 1 1 94 94 THR CA C 94 60.491 60.491 59.546 0.945 19012 5427 1 12 . 1 1 94 94 THR CB C 94 66.403 66.403 69.971 -3.568 19012 5428 1 12 . 1 1 94 94 THR H H 94 8.637 8.637 8.300 0.337 19012 5429 1 12 . 1 1 95 95 TYR N N 95 127.051 127.051 126.915 0.136 19012 5430 1 12 . 1 1 95 95 TYR HA H 95 4.564 4.564 5.555 -0.991 19012 5431 1 12 . 1 1 95 95 TYR CA C 95 53.889 53.889 56.139 -2.250 19012 5432 1 12 . 1 1 95 95 TYR CB C 95 39.733 39.733 42.658 -2.925 19012 5433 1 12 . 1 1 95 95 TYR H H 95 10.060 10.060 9.020 1.040 19012 5434 1 12 . 1 1 96 96 LYS N N 96 119.487 119.487 121.803 -2.316 19012 5435 1 12 . 1 1 96 96 LYS HA H 96 5.668 5.668 5.477 0.191 19012 5436 1 12 . 1 1 96 96 LYS CA C 96 50.781 50.781 54.301 -3.520 19012 5437 1 12 . 1 1 96 96 LYS CB C 96 31.840 31.840 35.269 -3.429 19012 5438 1 12 . 1 1 96 96 LYS H H 96 8.960 8.960 9.196 -0.236 19012 5439 1 12 . 1 1 97 97 LYS N N 97 128.866 128.866 125.124 3.742 19012 5440 1 12 . 1 1 97 97 LYS HA H 97 3.701 3.701 3.272 0.429 19012 5441 1 12 . 1 1 97 97 LYS CA C 97 55.022 55.022 57.308 -2.286 19012 5442 1 12 . 1 1 97 97 LYS CB C 97 30.744 30.744 32.592 -1.848 19012 5443 1 12 . 1 1 97 97 LYS H H 97 8.729 8.729 8.590 0.139 19012 5444 1 12 . 1 1 98 98 GLN N N 98 127.056 127.056 122.450 4.606 19012 5445 1 12 . 1 1 98 98 GLN HA H 98 4.244 4.244 4.549 -0.305 19012 5446 1 12 . 1 1 98 98 GLN CA C 98 52.689 52.689 54.693 -2.004 19012 5447 1 12 . 1 1 98 98 GLN CB C 98 28.065 28.065 32.453 -4.388 19012 5448 1 12 . 1 1 98 98 GLN H H 98 8.992 8.992 8.184 0.808 19012 5449 1 13 . 1 1 2 2 GLU N N 2 119.968 119.968 121.232 -1.264 19012 5450 1 13 . 1 1 2 2 GLU HA H 2 4.009 4.009 4.380 -0.371 19012 5451 1 13 . 1 1 2 2 GLU CA C 2 53.190 53.190 56.233 -3.043 19012 5452 1 13 . 1 1 2 2 GLU CB C 2 27.574 27.574 32.595 -5.021 19012 5453 1 13 . 1 1 2 2 GLU H H 2 8.212 8.212 8.451 -0.239 19012 5454 1 13 . 1 1 3 3 ASP N N 3 122.057 122.057 122.536 -0.479 19012 5455 1 13 . 1 1 3 3 ASP HA H 3 4.509 4.509 5.052 -0.543 19012 5456 1 13 . 1 1 3 3 ASP CA C 3 50.691 50.691 53.836 -3.145 19012 5457 1 13 . 1 1 3 3 ASP CB C 3 38.121 38.121 41.407 -3.286 19012 5458 1 13 . 1 1 3 3 ASP H H 3 8.209 8.209 8.411 -0.202 19012 5459 1 13 . 1 1 4 4 TRP N N 4 121.397 121.397 122.819 -1.422 19012 5460 1 13 . 1 1 4 4 TRP HA H 4 4.749 4.749 4.794 -0.045 19012 5461 1 13 . 1 1 4 4 TRP CA C 4 53.792 53.792 56.491 -2.699 19012 5462 1 13 . 1 1 4 4 TRP CB C 4 27.994 27.994 30.636 -2.642 19012 5463 1 13 . 1 1 4 4 TRP H H 4 7.614 7.614 8.460 -0.847 19012 5464 1 13 . 1 1 5 5 THR N N 5 117.669 117.669 114.438 3.231 19012 5465 1 13 . 1 1 5 5 THR HA H 5 4.733 4.733 4.631 0.102 19012 5466 1 13 . 1 1 5 5 THR CA C 5 57.170 57.170 61.200 -4.030 19012 5467 1 13 . 1 1 5 5 THR CB C 5 68.444 68.444 71.229 -2.785 19012 5468 1 13 . 1 1 5 5 THR H H 5 9.387 9.387 8.947 0.440 19012 5469 1 13 . 1 1 6 6 GLU N N 6 121.359 121.359 121.354 0.005 19012 5470 1 13 . 1 1 6 6 GLU HA H 6 4.283 4.283 4.228 0.055 19012 5471 1 13 . 1 1 6 6 GLU CA C 6 53.743 53.743 57.273 -3.530 19012 5472 1 13 . 1 1 6 6 GLU CB C 6 28.184 28.184 29.963 -1.779 19012 5473 1 13 . 1 1 6 6 GLU H H 6 8.027 8.027 8.715 -0.688 19012 5474 1 13 . 1 1 7 7 LEU N N 7 126.701 126.701 128.587 -1.886 19012 5475 1 13 . 1 1 7 7 LEU HA H 7 4.217 4.217 4.375 -0.158 19012 5476 1 13 . 1 1 7 7 LEU CA C 7 52.720 52.720 54.888 -2.167 19012 5477 1 13 . 1 1 7 7 LEU CB C 7 40.595 40.595 41.671 -1.076 19012 5478 1 13 . 1 1 7 7 LEU H H 7 8.626 8.626 8.626 0.000 19012 5479 1 13 . 1 1 8 8 ASN N N 8 121.528 121.528 123.173 -1.645 19012 5480 1 13 . 1 1 8 8 ASN HA H 8 4.611 4.611 4.902 -0.291 19012 5481 1 13 . 1 1 8 8 ASN CA C 8 49.652 49.652 52.764 -3.112 19012 5482 1 13 . 1 1 8 8 ASN CB C 8 38.102 38.102 40.324 -2.222 19012 5483 1 13 . 1 1 8 8 ASN H H 8 9.218 9.218 7.773 1.445 19012 5484 1 13 . 1 1 9 9 SER N N 9 109.319 109.319 117.143 -7.824 19012 5485 1 13 . 1 1 9 9 SER HA H 9 4.045 4.045 4.250 -0.205 19012 5486 1 13 . 1 1 9 9 SER CA C 9 58.381 58.381 62.031 -3.650 19012 5487 1 13 . 1 1 9 9 SER CB C 9 60.521 60.521 63.464 -2.943 19012 5488 1 13 . 1 1 9 9 SER H H 9 8.268 8.268 8.930 -0.662 19012 5489 1 13 . 1 1 10 10 ASN N N 10 117.403 117.403 114.805 2.598 19012 5490 1 13 . 1 1 10 10 ASN HA H 10 4.872 4.872 4.640 0.232 19012 5491 1 13 . 1 1 10 10 ASN CA C 10 52.508 52.508 54.750 -2.242 19012 5492 1 13 . 1 1 10 10 ASN CB C 10 37.905 37.905 38.667 -0.762 19012 5493 1 13 . 1 1 10 10 ASN H H 10 8.610 8.610 8.548 0.062 19012 5494 1 13 . 1 1 11 11 ASN N N 11 119.053 119.053 117.912 1.141 19012 5495 1 13 . 1 1 11 11 ASN HA H 11 4.396 4.396 4.702 -0.306 19012 5496 1 13 . 1 1 11 11 ASN CA C 11 51.832 51.832 55.110 -3.278 19012 5497 1 13 . 1 1 11 11 ASN CB C 11 34.355 34.355 38.723 -4.368 19012 5498 1 13 . 1 1 11 11 ASN H H 11 8.614 8.614 7.545 1.069 19012 5499 1 13 . 1 1 12 12 ILE N N 12 117.943 117.943 118.913 -0.970 19012 5500 1 13 . 1 1 12 12 ILE HA H 12 4.185 4.185 4.164 0.021 19012 5501 1 13 . 1 1 12 12 ILE CA C 12 55.309 55.309 60.599 -5.290 19012 5502 1 13 . 1 1 12 12 ILE CB C 12 36.651 36.651 38.482 -1.831 19012 5503 1 13 . 1 1 12 12 ILE H H 12 7.041 7.041 7.363 -0.322 19012 5504 1 13 . 1 1 13 13 ILE N N 13 118.354 118.354 120.469 -2.115 19012 5505 1 13 . 1 1 13 13 ILE HA H 13 3.800 3.800 4.268 -0.468 19012 5506 1 13 . 1 1 13 13 ILE CA C 13 58.469 58.469 61.645 -3.176 19012 5507 1 13 . 1 1 13 13 ILE CB C 13 34.584 34.584 35.503 -0.919 19012 5508 1 13 . 1 1 13 13 ILE H H 13 6.635 6.635 7.405 -0.770 19012 5509 1 13 . 1 1 14 14 GLY N N 14 114.150 114.150 113.684 0.466 19012 5510 1 13 . 1 1 14 14 GLY CA C 14 41.496 41.496 44.618 -3.123 19012 5511 1 13 . 1 1 14 14 GLY H H 14 8.842 8.842 8.659 0.183 19012 5512 1 13 . 1 1 15 15 TYR N N 15 119.014 119.014 119.000 0.014 19012 5513 1 13 . 1 1 15 15 TYR HA H 15 4.961 4.961 5.030 -0.069 19012 5514 1 13 . 1 1 15 15 TYR CA C 15 54.499 54.499 57.418 -2.919 19012 5515 1 13 . 1 1 15 15 TYR CB C 15 38.075 38.075 41.071 -2.996 19012 5516 1 13 . 1 1 15 15 TYR H H 15 8.264 8.264 7.753 0.511 19012 5517 1 13 . 1 1 16 16 TRP N N 16 124.101 124.101 118.721 5.380 19012 5518 1 13 . 1 1 16 16 TRP HA H 16 5.175 5.175 4.970 0.205 19012 5519 1 13 . 1 1 16 16 TRP CA C 16 52.970 52.970 57.037 -4.067 19012 5520 1 13 . 1 1 16 16 TRP CB C 16 28.341 28.341 33.284 -4.943 19012 5521 1 13 . 1 1 16 16 TRP H H 16 9.497 9.497 8.579 0.918 19012 5522 1 13 . 1 1 17 17 SER N N 17 115.863 115.863 114.891 0.972 19012 5523 1 13 . 1 1 17 17 SER HA H 17 6.272 6.272 5.636 0.636 19012 5524 1 13 . 1 1 17 17 SER CA C 17 53.039 53.039 56.238 -3.199 19012 5525 1 13 . 1 1 17 17 SER CB C 17 63.415 63.415 65.535 -2.120 19012 5526 1 13 . 1 1 17 17 SER H H 17 9.182 9.182 8.716 0.466 19012 5527 1 13 . 1 1 18 18 THR N N 18 119.520 119.520 116.156 3.364 19012 5528 1 13 . 1 1 18 18 THR CB C 18 67.199 67.199 69.645 -2.446 19012 5529 1 13 . 1 1 18 18 THR H H 18 8.996 8.996 8.840 0.156 19012 5530 1 13 . 1 1 19 19 GLY N N 19 110.006 110.006 109.374 0.632 19012 5531 1 13 . 1 1 19 19 GLY CA C 19 42.615 42.615 45.354 -2.739 19012 5532 1 13 . 1 1 19 19 GLY H H 19 8.206 8.206 7.459 0.747 19012 5533 1 13 . 1 1 20 20 ILE N N 20 111.313 111.313 113.234 -1.921 19012 5534 1 13 . 1 1 20 20 ILE HA H 20 3.519 3.519 3.957 -0.438 19012 5535 1 13 . 1 1 20 20 ILE CA C 20 57.765 57.765 60.309 -2.544 19012 5536 1 13 . 1 1 20 20 ILE CB C 20 37.839 37.839 38.550 -0.711 19012 5537 1 13 . 1 1 20 20 ILE H H 20 7.953 7.953 8.219 -0.266 19012 5538 1 13 . 1 1 21 21 GLU N N 21 119.547 119.547 119.908 -0.361 19012 5539 1 13 . 1 1 21 21 GLU HA H 21 4.463 4.463 4.649 -0.186 19012 5540 1 13 . 1 1 21 21 GLU CA C 21 52.227 52.227 54.703 -2.475 19012 5541 1 13 . 1 1 21 21 GLU CB C 21 29.468 29.468 32.625 -3.157 19012 5542 1 13 . 1 1 21 21 GLU H H 21 7.514 7.514 7.724 -0.210 19012 5543 1 13 . 1 1 22 22 GLY N N 22 109.534 109.534 109.189 0.345 19012 5544 1 13 . 1 1 22 22 GLY CA C 22 43.582 43.582 46.522 -2.940 19012 5545 1 13 . 1 1 22 22 GLY H H 22 8.457 8.457 8.530 -0.073 19012 5546 1 13 . 1 1 23 23 THR N N 23 124.632 124.632 120.010 4.622 19012 5547 1 13 . 1 1 23 23 THR HA H 23 5.271 5.271 5.136 0.135 19012 5548 1 13 . 1 1 23 23 THR CA C 23 60.060 60.060 61.789 -1.729 19012 5549 1 13 . 1 1 23 23 THR CB C 23 65.680 65.680 69.444 -3.764 19012 5550 1 13 . 1 1 23 23 THR H H 23 8.881 8.881 8.376 0.505 19012 5551 1 13 . 1 1 24 24 HIS N N 24 122.881 122.881 123.713 -0.832 19012 5552 1 13 . 1 1 24 24 HIS HA H 24 4.780 4.780 5.146 -0.366 19012 5553 1 13 . 1 1 24 24 HIS CA C 24 50.970 50.970 53.472 -2.502 19012 5554 1 13 . 1 1 24 24 HIS CB C 24 27.898 27.898 32.814 -4.916 19012 5555 1 13 . 1 1 24 24 HIS H H 24 8.919 8.919 8.691 0.228 19012 5556 1 13 . 1 1 25 25 LYS N N 25 119.738 119.738 118.663 1.075 19012 5557 1 13 . 1 1 25 25 LYS HA H 25 5.437 5.437 5.091 0.346 19012 5558 1 13 . 1 1 25 25 LYS CA C 25 52.650 52.650 54.919 -2.269 19012 5559 1 13 . 1 1 25 25 LYS CB C 25 33.277 33.277 36.015 -2.738 19012 5560 1 13 . 1 1 25 25 LYS H H 25 8.816 8.816 8.903 -0.087 19012 5561 1 13 . 1 1 26 26 LEU N N 26 126.017 126.017 124.910 1.107 19012 5562 1 13 . 1 1 26 26 LEU HA H 26 5.825 5.825 5.121 0.704 19012 5563 1 13 . 1 1 26 26 LEU CA C 26 51.614 51.614 53.568 -1.954 19012 5564 1 13 . 1 1 26 26 LEU CB C 26 44.544 44.544 43.550 0.994 19012 5565 1 13 . 1 1 26 26 LEU H H 26 9.420 9.420 8.677 0.743 19012 5566 1 13 . 1 1 27 27 LEU N N 27 128.825 128.825 127.697 1.128 19012 5567 1 13 . 1 1 27 27 LEU HA H 27 5.417 5.417 5.108 0.309 19012 5568 1 13 . 1 1 27 27 LEU CA C 27 50.740 50.740 53.928 -3.188 19012 5569 1 13 . 1 1 27 27 LEU CB C 27 44.569 44.569 44.233 0.336 19012 5570 1 13 . 1 1 27 27 LEU H H 27 9.475 9.475 7.936 1.539 19012 5571 1 13 . 1 1 28 28 SER N N 28 117.701 117.701 113.563 4.138 19012 5572 1 13 . 1 1 28 28 SER HA H 28 5.337 5.337 4.784 0.553 19012 5573 1 13 . 1 1 28 28 SER CA C 28 53.530 53.530 57.034 -3.504 19012 5574 1 13 . 1 1 28 28 SER CB C 28 63.368 63.368 64.770 -1.403 19012 5575 1 13 . 1 1 28 28 SER H H 28 8.859 8.859 7.779 1.080 19012 5576 1 13 . 1 1 29 29 PHE N N 29 117.319 117.319 122.830 -5.511 19012 5577 1 13 . 1 1 29 29 PHE HA H 29 4.679 4.679 5.056 -0.377 19012 5578 1 13 . 1 1 29 29 PHE CA C 29 54.565 54.565 57.179 -2.614 19012 5579 1 13 . 1 1 29 29 PHE CB C 29 39.104 39.104 41.740 -2.636 19012 5580 1 13 . 1 1 29 29 PHE H H 29 8.401 8.401 9.317 -0.916 19012 5581 1 13 . 1 1 30 30 ASP N N 30 123.741 123.741 125.490 -1.749 19012 5582 1 13 . 1 1 30 30 ASP HA H 30 5.217 5.217 4.969 0.248 19012 5583 1 13 . 1 1 30 30 ASP CA C 30 50.408 50.408 54.255 -3.847 19012 5584 1 13 . 1 1 30 30 ASP CB C 30 41.148 41.148 42.986 -1.838 19012 5585 1 13 . 1 1 30 30 ASP H H 30 9.573 9.573 8.507 1.066 19012 5586 1 13 . 1 1 31 31 GLU N N 31 127.123 127.123 118.765 8.358 19012 5587 1 13 . 1 1 31 31 GLU HA H 31 4.127 4.127 4.263 -0.136 19012 5588 1 13 . 1 1 31 31 GLU CA C 31 56.324 56.324 57.885 -1.561 19012 5589 1 13 . 1 1 31 31 GLU CB C 31 27.283 27.283 30.134 -2.851 19012 5590 1 13 . 1 1 31 31 GLU H H 31 9.718 9.718 8.620 1.098 19012 5591 1 13 . 1 1 32 32 ASP N N 32 119.011 119.011 117.188 1.823 19012 5592 1 13 . 1 1 32 32 ASP HA H 32 4.443 4.443 4.697 -0.254 19012 5593 1 13 . 1 1 32 32 ASP CA C 32 50.919 50.919 53.969 -3.050 19012 5594 1 13 . 1 1 32 32 ASP CB C 32 37.344 37.344 40.973 -3.629 19012 5595 1 13 . 1 1 32 32 ASP H H 32 8.911 8.911 8.133 0.778 19012 5596 1 13 . 1 1 33 33 GLY N N 33 106.215 106.215 109.169 -2.954 19012 5597 1 13 . 1 1 33 33 GLY CA C 33 43.879 43.879 44.856 -0.977 19012 5598 1 13 . 1 1 33 33 GLY H H 33 7.781 7.781 8.289 -0.508 19012 5599 1 13 . 1 1 34 34 THR N N 34 111.570 111.570 112.133 -0.563 19012 5600 1 13 . 1 1 34 34 THR HA H 34 5.474 5.474 4.504 0.970 19012 5601 1 13 . 1 1 34 34 THR CA C 34 57.389 57.389 60.655 -3.266 19012 5602 1 13 . 1 1 34 34 THR CB C 34 69.991 69.991 71.160 -1.169 19012 5603 1 13 . 1 1 34 34 THR H H 34 7.863 7.863 7.847 0.016 19012 5604 1 13 . 1 1 35 35 GLY N N 35 106.781 106.781 106.617 0.164 19012 5605 1 13 . 1 1 35 35 GLY CA C 35 43.233 43.233 43.087 0.146 19012 5606 1 13 . 1 1 35 35 GLY H H 35 8.235 8.235 8.523 -0.288 19012 5607 1 13 . 1 1 36 36 SER N N 36 113.807 113.807 113.144 0.663 19012 5608 1 13 . 1 1 36 36 SER HA H 36 4.659 4.659 4.634 0.025 19012 5609 1 13 . 1 1 36 36 SER CA C 36 54.509 54.509 57.156 -2.647 19012 5610 1 13 . 1 1 36 36 SER CB C 36 64.821 64.821 67.182 -2.361 19012 5611 1 13 . 1 1 36 36 SER H H 36 8.182 8.182 7.494 0.688 19012 5612 1 13 . 1 1 37 37 PHE N N 37 120.041 120.041 121.639 -1.598 19012 5613 1 13 . 1 1 37 37 PHE HA H 37 5.885 5.885 5.161 0.724 19012 5614 1 13 . 1 1 37 37 PHE CA C 37 52.308 52.308 56.539 -4.231 19012 5615 1 13 . 1 1 37 37 PHE CB C 37 41.174 41.174 43.489 -2.315 19012 5616 1 13 . 1 1 37 37 PHE H H 37 8.829 8.829 8.450 0.379 19012 5617 1 13 . 1 1 38 38 GLY N N 38 115.263 115.263 111.701 3.562 19012 5618 1 13 . 1 1 38 38 GLY CA C 38 42.092 42.092 43.250 -1.158 19012 5619 1 13 . 1 1 38 38 GLY H H 38 8.936 8.936 8.399 0.537 19012 5620 1 13 . 1 1 39 39 ILE N N 39 119.791 119.791 120.502 -0.711 19012 5621 1 13 . 1 1 39 39 ILE HA H 39 4.292 4.292 4.615 -0.323 19012 5622 1 13 . 1 1 39 39 ILE CA C 39 58.280 58.280 60.560 -2.280 19012 5623 1 13 . 1 1 39 39 ILE CB C 39 36.838 36.838 40.792 -3.954 19012 5624 1 13 . 1 1 39 39 ILE H H 39 7.724 7.724 7.802 -0.078 19012 5625 1 13 . 1 1 40 40 TYR N N 40 125.748 125.748 126.770 -1.022 19012 5626 1 13 . 1 1 40 40 TYR HA H 40 4.742 4.742 5.130 -0.388 19012 5627 1 13 . 1 1 40 40 TYR CA C 40 53.881 53.881 56.131 -2.250 19012 5628 1 13 . 1 1 40 40 TYR CB C 40 39.894 39.894 41.198 -1.304 19012 5629 1 13 . 1 1 40 40 TYR H H 40 8.782 8.782 9.295 -0.513 19012 5630 1 13 . 1 1 41 41 SER N N 41 114.721 114.721 119.086 -4.365 19012 5631 1 13 . 1 1 41 41 SER HA H 41 4.689 4.689 4.977 -0.288 19012 5632 1 13 . 1 1 41 41 SER CA C 41 53.337 53.337 58.131 -4.794 19012 5633 1 13 . 1 1 41 41 SER CB C 41 60.205 60.205 63.689 -3.484 19012 5634 1 13 . 1 1 41 41 SER H H 41 8.708 8.708 8.639 0.069 19012 5635 1 13 . 1 1 42 42 ASN N N 42 124.063 124.063 125.969 -1.906 19012 5636 1 13 . 1 1 42 42 ASN HA H 42 4.298 4.298 4.310 -0.012 19012 5637 1 13 . 1 1 42 42 ASN CA C 42 54.083 54.083 57.183 -3.100 19012 5638 1 13 . 1 1 42 42 ASN CB C 42 34.720 34.720 37.967 -3.247 19012 5639 1 13 . 1 1 42 42 ASN H H 42 9.239 9.239 9.205 0.034 19012 5640 1 13 . 1 1 43 43 ALA N N 43 125.505 125.505 122.814 2.691 19012 5641 1 13 . 1 1 43 43 ALA HA H 43 4.576 4.576 4.785 -0.209 19012 5642 1 13 . 1 1 43 43 ALA CA C 43 50.170 50.170 52.234 -2.064 19012 5643 1 13 . 1 1 43 43 ALA CB C 43 16.678 16.678 19.663 -2.985 19012 5644 1 13 . 1 1 43 43 ALA H H 43 8.468 8.468 8.026 0.442 19012 5645 1 13 . 1 1 44 44 THR N N 44 119.056 119.056 116.712 2.344 19012 5646 1 13 . 1 1 44 44 THR HA H 44 4.550 4.550 4.795 -0.245 19012 5647 1 13 . 1 1 44 44 THR CA C 44 58.028 58.028 59.976 -1.948 19012 5648 1 13 . 1 1 44 44 THR CB C 44 68.176 68.176 70.623 -2.446 19012 5649 1 13 . 1 1 44 44 THR H H 44 8.420 8.420 8.135 0.285 19012 5650 1 13 . 1 1 45 45 PRO HA H 45 3.797 3.797 3.707 0.090 19012 5651 1 13 . 1 1 45 45 PRO CA C 45 60.280 60.280 62.924 -2.644 19012 5652 1 13 . 1 1 45 45 PRO CB C 45 28.488 28.488 31.993 -3.505 19012 5653 1 13 . 1 1 46 46 ILE N N 46 124.607 124.607 121.377 3.230 19012 5654 1 13 . 1 1 46 46 ILE HA H 46 4.023 4.023 4.279 -0.256 19012 5655 1 13 . 1 1 46 46 ILE CA C 46 58.609 58.609 60.857 -2.248 19012 5656 1 13 . 1 1 46 46 ILE CB C 46 35.652 35.652 38.724 -3.072 19012 5657 1 13 . 1 1 46 46 ILE H H 46 8.998 8.998 8.618 0.380 19012 5658 1 13 . 1 1 47 47 SER N N 47 112.826 112.826 115.472 -2.646 19012 5659 1 13 . 1 1 47 47 SER HA H 47 4.474 4.474 4.671 -0.197 19012 5660 1 13 . 1 1 47 47 SER CA C 47 54.926 54.926 57.739 -2.813 19012 5661 1 13 . 1 1 47 47 SER CB C 47 62.419 62.419 64.939 -2.520 19012 5662 1 13 . 1 1 47 47 SER H H 47 7.439 7.439 7.342 0.097 19012 5663 1 13 . 1 1 48 48 PHE N N 48 123.266 123.266 120.641 2.625 19012 5664 1 13 . 1 1 48 48 PHE HA H 48 5.194 5.194 4.871 0.323 19012 5665 1 13 . 1 1 48 48 PHE CA C 48 55.624 55.624 58.021 -2.397 19012 5666 1 13 . 1 1 48 48 PHE CB C 48 40.000 40.000 42.250 -2.250 19012 5667 1 13 . 1 1 48 48 PHE H H 48 8.238 8.238 8.272 -0.034 19012 5668 1 13 . 1 1 49 49 GLN N N 49 123.564 123.564 119.479 4.085 19012 5669 1 13 . 1 1 49 49 GLN HA H 49 4.935 4.935 4.484 0.451 19012 5670 1 13 . 1 1 49 49 GLN CA C 49 51.294 51.294 55.003 -3.709 19012 5671 1 13 . 1 1 49 49 GLN CB C 49 29.688 29.688 31.628 -1.940 19012 5672 1 13 . 1 1 49 49 GLN H H 49 8.607 8.607 7.839 0.768 19012 5673 1 13 . 1 1 50 50 MET N N 50 120.626 120.626 117.428 3.198 19012 5674 1 13 . 1 1 50 50 MET HA H 50 4.637 4.637 5.010 -0.373 19012 5675 1 13 . 1 1 50 50 MET CA C 50 51.562 51.562 54.527 -2.965 19012 5676 1 13 . 1 1 50 50 MET CB C 50 33.549 33.549 38.067 -4.518 19012 5677 1 13 . 1 1 50 50 MET H H 50 9.071 9.071 8.258 0.813 19012 5678 1 13 . 1 1 51 51 PHE N N 51 112.996 112.996 114.548 -1.552 19012 5679 1 13 . 1 1 51 51 PHE HA H 51 4.928 4.928 5.090 -0.162 19012 5680 1 13 . 1 1 51 51 PHE CA C 51 53.899 53.899 56.903 -3.004 19012 5681 1 13 . 1 1 51 51 PHE CB C 51 38.018 38.018 40.770 -2.752 19012 5682 1 13 . 1 1 52 52 ASP N N 52 118.727 118.727 121.444 -2.717 19012 5683 1 13 . 1 1 52 52 ASP HA H 52 5.640 5.640 4.738 0.902 19012 5684 1 13 . 1 1 52 52 ASP CA C 52 50.264 50.264 55.737 -5.473 19012 5685 1 13 . 1 1 52 52 ASP CB C 52 38.971 38.971 42.666 -3.695 19012 5686 1 13 . 1 1 52 52 ASP H H 52 8.469 8.469 8.126 0.343 19012 5687 1 13 . 1 1 53 53 TYR N N 53 115.709 115.709 115.501 0.208 19012 5688 1 13 . 1 1 53 53 TYR HA H 53 6.351 6.351 5.684 0.667 19012 5689 1 13 . 1 1 53 53 TYR CA C 53 53.296 53.296 56.151 -2.855 19012 5690 1 13 . 1 1 53 53 TYR CB C 53 40.764 40.764 42.252 -1.488 19012 5691 1 13 . 1 1 53 53 TYR H H 53 8.725 8.725 8.192 0.533 19012 5692 1 13 . 1 1 54 54 LYS N N 54 118.766 118.766 118.990 -0.224 19012 5693 1 13 . 1 1 54 54 LYS HA H 54 4.445 4.445 4.771 -0.326 19012 5694 1 13 . 1 1 54 54 LYS CA C 54 52.187 52.187 54.149 -1.962 19012 5695 1 13 . 1 1 54 54 LYS CB C 54 34.819 34.819 37.864 -3.045 19012 5696 1 13 . 1 1 54 54 LYS H H 54 8.972 8.972 8.941 0.031 19012 5697 1 13 . 1 1 55 55 ILE N N 55 122.406 122.406 122.428 -0.022 19012 5698 1 13 . 1 1 55 55 ILE HA H 55 4.796 4.796 4.655 0.141 19012 5699 1 13 . 1 1 55 55 ILE CA C 55 56.172 56.172 59.331 -3.159 19012 5700 1 13 . 1 1 55 55 ILE CB C 55 33.404 33.404 36.504 -3.100 19012 5701 1 13 . 1 1 55 55 ILE H H 55 8.832 8.832 8.767 0.065 19012 5702 1 13 . 1 1 56 56 GLU N N 56 128.507 128.507 127.044 1.463 19012 5703 1 13 . 1 1 56 56 GLU HA H 56 4.575 4.575 4.473 0.102 19012 5704 1 13 . 1 1 56 56 GLU CA C 56 52.300 52.300 56.492 -4.192 19012 5705 1 13 . 1 1 56 56 GLU CB C 56 30.432 30.432 30.707 -0.276 19012 5706 1 13 . 1 1 56 56 GLU H H 56 8.787 8.787 8.937 -0.150 19012 5707 1 13 . 1 1 57 57 GLU N N 57 125.606 125.606 118.447 7.159 19012 5708 1 13 . 1 1 57 57 GLU HA H 57 3.809 3.809 4.378 -0.569 19012 5709 1 13 . 1 1 57 57 GLU CA C 57 54.254 54.254 56.685 -2.431 19012 5710 1 13 . 1 1 57 57 GLU CB C 57 25.445 25.445 30.339 -4.894 19012 5711 1 13 . 1 1 57 57 GLU H H 57 9.296 9.296 8.420 0.876 19012 5712 1 13 . 1 1 58 58 GLY N N 58 103.913 103.913 108.713 -4.800 19012 5713 1 13 . 1 1 58 58 GLY CA C 58 43.401 43.401 46.287 -2.886 19012 5714 1 13 . 1 1 58 58 GLY H H 58 8.267 8.267 8.652 -0.385 19012 5715 1 13 . 1 1 59 59 ARG N N 59 119.125 119.125 116.839 2.286 19012 5716 1 13 . 1 1 59 59 ARG HA H 59 4.787 4.787 4.632 0.155 19012 5717 1 13 . 1 1 59 59 ARG CA C 59 51.812 51.812 54.028 -2.216 19012 5718 1 13 . 1 1 59 59 ARG CB C 59 32.023 32.023 34.317 -2.294 19012 5719 1 13 . 1 1 59 59 ARG H H 59 7.840 7.840 7.504 0.336 19012 5720 1 13 . 1 1 60 60 ILE N N 60 118.464 118.464 119.274 -0.810 19012 5721 1 13 . 1 1 60 60 ILE HA H 60 4.409 4.409 4.692 -0.283 19012 5722 1 13 . 1 1 60 60 ILE CA C 60 58.461 58.461 60.373 -1.912 19012 5723 1 13 . 1 1 60 60 ILE CB C 60 36.943 36.943 39.478 -2.535 19012 5724 1 13 . 1 1 60 60 ILE H H 60 8.150 8.150 8.447 -0.297 19012 5725 1 13 . 1 1 61 61 TYR N N 61 130.267 130.267 130.642 -0.375 19012 5726 1 13 . 1 1 61 61 TYR HA H 61 4.399 4.399 4.654 -0.255 19012 5727 1 13 . 1 1 61 61 TYR CA C 61 53.435 53.435 56.906 -3.470 19012 5728 1 13 . 1 1 61 61 TYR CB C 61 37.443 37.443 39.113 -1.670 19012 5729 1 13 . 1 1 61 61 TYR H H 61 9.304 9.304 9.029 0.275 19012 5730 1 13 . 1 1 62 62 ILE N N 62 129.152 129.152 127.515 1.637 19012 5731 1 13 . 1 1 62 62 ILE HA H 62 4.035 4.035 4.190 -0.155 19012 5732 1 13 . 1 1 62 62 ILE CA C 62 55.538 55.538 58.396 -2.858 19012 5733 1 13 . 1 1 62 62 ILE CB C 62 33.654 33.654 38.102 -4.448 19012 5734 1 13 . 1 1 62 62 ILE H H 62 8.326 8.326 8.553 -0.227 19012 5735 1 13 . 1 1 63 63 TYR N N 63 119.836 119.836 120.327 -0.491 19012 5736 1 13 . 1 1 63 63 TYR HA H 63 4.563 4.563 4.494 0.069 19012 5737 1 13 . 1 1 63 63 TYR CA C 63 52.035 52.035 56.324 -4.289 19012 5738 1 13 . 1 1 63 63 TYR CB C 63 36.267 36.267 39.952 -3.685 19012 5739 1 13 . 1 1 63 63 TYR H H 63 8.397 8.397 7.958 0.439 19012 5740 1 13 . 1 1 64 64 ASP N N 64 117.747 117.747 121.145 -3.398 19012 5741 1 13 . 1 1 64 64 ASP HA H 64 4.270 4.270 4.681 -0.411 19012 5742 1 13 . 1 1 64 64 ASP CA C 64 51.384 51.384 54.036 -2.652 19012 5743 1 13 . 1 1 64 64 ASP CB C 64 35.510 35.510 43.318 -7.808 19012 5744 1 13 . 1 1 64 64 ASP H H 64 8.570 8.570 7.811 0.759 19012 5745 1 13 . 1 1 65 65 VAL N N 65 117.619 117.619 122.895 -5.276 19012 5746 1 13 . 1 1 65 65 VAL HA H 65 4.329 4.329 4.980 -0.651 19012 5747 1 13 . 1 1 65 65 VAL CA C 65 61.015 61.015 60.494 0.521 19012 5748 1 13 . 1 1 65 65 VAL CB C 65 29.350 29.350 35.485 -6.135 19012 5749 1 13 . 1 1 65 65 VAL H H 65 8.116 8.116 8.254 -0.138 19012 5750 1 13 . 1 1 66 66 TYR N N 66 127.317 127.317 124.101 3.216 19012 5751 1 13 . 1 1 66 66 TYR HA H 66 4.567 4.567 5.066 -0.499 19012 5752 1 13 . 1 1 66 66 TYR CA C 66 53.116 53.116 55.926 -2.810 19012 5753 1 13 . 1 1 66 66 TYR CB C 66 39.090 39.090 40.730 -1.641 19012 5754 1 13 . 1 1 66 66 TYR H H 66 8.911 8.911 8.356 0.555 19012 5755 1 13 . 1 1 67 67 PRO HA H 67 3.778 3.778 4.573 -0.795 19012 5756 1 13 . 1 1 67 67 PRO CA C 67 60.736 60.736 63.877 -3.142 19012 5757 1 13 . 1 1 67 67 PRO CB C 67 32.039 32.039 31.905 0.134 19012 5758 1 13 . 1 1 68 68 ASP N N 68 122.446 122.446 120.689 1.757 19012 5759 1 13 . 1 1 68 68 ASP HA H 68 4.595 4.595 4.822 -0.227 19012 5760 1 13 . 1 1 68 68 ASP CA C 68 51.405 51.405 53.166 -1.762 19012 5761 1 13 . 1 1 68 68 ASP CB C 68 37.732 37.732 41.183 -3.451 19012 5762 1 13 . 1 1 68 68 ASP H H 68 8.017 8.017 7.989 0.028 19012 5763 1 13 . 1 1 69 69 GLU N N 69 121.842 121.842 122.212 -0.370 19012 5764 1 13 . 1 1 69 69 GLU HA H 69 4.167 4.167 4.330 -0.163 19012 5765 1 13 . 1 1 69 69 GLU CA C 69 54.191 54.191 56.341 -2.150 19012 5766 1 13 . 1 1 69 69 GLU CB C 69 27.200 27.200 30.568 -3.368 19012 5767 1 13 . 1 1 69 69 GLU H H 69 8.109 8.109 8.459 -0.350 19012 5768 1 13 . 1 1 70 70 LYS N N 70 121.975 121.975 120.406 1.569 19012 5769 1 13 . 1 1 70 70 LYS HA H 70 4.532 4.532 4.453 0.079 19012 5770 1 13 . 1 1 70 70 LYS CA C 70 52.097 52.097 54.984 -2.887 19012 5771 1 13 . 1 1 70 70 LYS CB C 70 33.247 33.247 34.363 -1.116 19012 5772 1 13 . 1 1 70 70 LYS H H 70 7.646 7.646 8.231 -0.585 19012 5773 1 13 . 1 1 71 71 THR N N 71 120.177 120.177 117.850 2.327 19012 5774 1 13 . 1 1 71 71 THR HA H 71 4.386 4.386 4.310 0.076 19012 5775 1 13 . 1 1 71 71 THR CA C 71 58.759 58.759 60.545 -1.786 19012 5776 1 13 . 1 1 71 71 THR CB C 71 66.724 66.724 69.352 -2.628 19012 5777 1 13 . 1 1 71 71 THR H H 71 8.258 8.258 8.425 -0.167 19012 5778 1 13 . 1 1 72 72 PRO HA H 72 4.389 4.389 4.167 0.222 19012 5779 1 13 . 1 1 72 72 PRO CA C 72 61.688 61.688 63.121 -1.433 19012 5780 1 13 . 1 1 72 72 PRO CB C 72 31.440 31.440 32.277 -0.837 19012 5781 1 13 . 1 1 73 73 TYR N N 73 118.747 118.747 116.820 1.927 19012 5782 1 13 . 1 1 73 73 TYR HA H 73 4.857 4.857 4.810 0.047 19012 5783 1 13 . 1 1 73 73 TYR CA C 73 52.643 52.643 55.910 -3.268 19012 5784 1 13 . 1 1 73 73 TYR CB C 73 37.470 37.470 39.513 -2.043 19012 5785 1 13 . 1 1 73 73 TYR H H 73 7.988 7.988 8.068 -0.080 19012 5786 1 13 . 1 1 74 74 TYR N N 74 114.692 114.692 118.384 -3.692 19012 5787 1 13 . 1 1 74 74 TYR HA H 74 5.548 5.548 5.596 -0.048 19012 5788 1 13 . 1 1 74 74 TYR CA C 74 53.855 53.855 56.960 -3.105 19012 5789 1 13 . 1 1 74 74 TYR CB C 74 39.316 39.316 41.247 -1.931 19012 5790 1 13 . 1 1 74 74 TYR H H 74 8.370 8.370 8.577 -0.207 19012 5791 1 13 . 1 1 75 75 LEU N N 75 120.717 120.717 125.035 -4.318 19012 5792 1 13 . 1 1 75 75 LEU HA H 75 4.456 4.456 4.670 -0.214 19012 5793 1 13 . 1 1 75 75 LEU CA C 75 50.648 50.648 53.685 -3.037 19012 5794 1 13 . 1 1 75 75 LEU CB C 75 41.979 41.979 44.543 -2.564 19012 5795 1 13 . 1 1 75 75 LEU H H 75 9.467 9.467 9.029 0.438 19012 5796 1 13 . 1 1 76 76 ASP N N 76 123.675 123.675 126.170 -2.495 19012 5797 1 13 . 1 1 76 76 ASP HA H 76 5.041 5.041 4.612 0.429 19012 5798 1 13 . 1 1 76 76 ASP CA C 76 51.324 51.324 56.015 -4.691 19012 5799 1 13 . 1 1 76 76 ASP CB C 76 39.376 39.376 41.225 -1.849 19012 5800 1 13 . 1 1 76 76 ASP H H 76 7.825 7.825 8.788 -0.963 19012 5801 1 13 . 1 1 77 77 CYS N N 77 118.147 118.147 120.059 -1.912 19012 5802 1 13 . 1 1 77 77 CYS HA H 77 5.514 5.514 5.175 0.339 19012 5803 1 13 . 1 1 77 77 CYS CA C 77 53.205 53.205 55.920 -2.715 19012 5804 1 13 . 1 1 77 77 CYS CB C 77 30.347 30.347 32.344 -1.997 19012 5805 1 13 . 1 1 77 77 CYS H H 77 8.504 8.504 8.365 0.139 19012 5806 1 13 . 1 1 78 78 LYS N N 78 119.791 119.791 118.864 0.927 19012 5807 1 13 . 1 1 78 78 LYS HA H 78 4.398 4.398 4.413 -0.015 19012 5808 1 13 . 1 1 78 78 LYS CA C 78 52.033 52.033 54.623 -2.590 19012 5809 1 13 . 1 1 78 78 LYS CB C 78 33.618 33.618 35.140 -1.522 19012 5810 1 13 . 1 1 78 78 LYS H H 78 8.483 8.483 8.448 0.035 19012 5811 1 13 . 1 1 79 79 ILE N N 79 122.179 122.179 121.044 1.135 19012 5812 1 13 . 1 1 79 79 ILE HA H 79 5.410 5.410 5.228 0.182 19012 5813 1 13 . 1 1 79 79 ILE CA C 79 56.581 56.581 59.690 -3.109 19012 5814 1 13 . 1 1 79 79 ILE CB C 79 41.302 41.302 42.591 -1.289 19012 5815 1 13 . 1 1 79 79 ILE H H 79 8.923 8.923 8.003 0.920 19012 5816 1 13 . 1 1 80 80 SER N N 80 122.640 122.640 122.012 0.628 19012 5817 1 13 . 1 1 80 80 SER HA H 80 4.760 4.760 5.178 -0.418 19012 5818 1 13 . 1 1 80 80 SER CB C 80 62.504 62.504 64.395 -1.891 19012 5819 1 13 . 1 1 80 80 SER H H 80 9.150 9.150 9.421 -0.271 19012 5820 1 13 . 1 1 81 81 GLY N N 81 111.781 111.781 114.474 -2.693 19012 5821 1 13 . 1 1 81 81 GLY CA C 81 44.910 44.910 47.315 -2.405 19012 5822 1 13 . 1 1 81 81 GLY H H 81 8.832 8.832 9.273 -0.441 19012 5823 1 13 . 1 1 82 82 THR N N 82 110.902 110.902 112.687 -1.785 19012 5824 1 13 . 1 1 82 82 THR HA H 82 4.541 4.541 4.644 -0.103 19012 5825 1 13 . 1 1 82 82 THR CA C 82 58.833 58.833 60.764 -1.931 19012 5826 1 13 . 1 1 82 82 THR H H 82 8.284 8.284 8.411 -0.127 19012 5827 1 13 . 1 1 83 83 THR N N 83 119.808 119.808 118.150 1.658 19012 5828 1 13 . 1 1 83 83 THR HA H 83 5.576 5.576 5.412 0.164 19012 5829 1 13 . 1 1 83 83 THR CA C 83 59.711 59.711 61.897 -2.186 19012 5830 1 13 . 1 1 83 83 THR CB C 83 68.486 68.486 72.115 -3.629 19012 5831 1 13 . 1 1 83 83 THR H H 83 8.178 8.178 7.376 0.802 19012 5832 1 13 . 1 1 84 84 LEU N N 84 128.946 128.946 128.497 0.449 19012 5833 1 13 . 1 1 84 84 LEU HA H 84 4.787 4.787 5.182 -0.395 19012 5834 1 13 . 1 1 84 84 LEU CA C 84 50.979 50.979 53.383 -2.404 19012 5835 1 13 . 1 1 84 84 LEU CB C 84 43.114 43.114 45.364 -2.251 19012 5836 1 13 . 1 1 84 84 LEU H H 84 9.103 9.103 9.447 -0.344 19012 5837 1 13 . 1 1 85 85 LYS N N 85 129.439 129.439 127.537 1.902 19012 5838 1 13 . 1 1 85 85 LYS HA H 85 5.220 5.220 4.692 0.528 19012 5839 1 13 . 1 1 85 85 LYS CA C 85 52.028 52.028 54.176 -2.148 19012 5840 1 13 . 1 1 85 85 LYS CB C 85 32.656 32.656 33.885 -1.229 19012 5841 1 13 . 1 1 85 85 LYS H H 85 9.336 9.336 8.622 0.714 19012 5842 1 13 . 1 1 86 86 VAL N N 86 127.719 127.719 128.762 -1.043 19012 5843 1 13 . 1 1 86 86 VAL HA H 86 4.279 4.279 3.880 0.399 19012 5844 1 13 . 1 1 86 86 VAL CA C 86 59.179 59.179 63.282 -4.103 19012 5845 1 13 . 1 1 86 86 VAL CB C 86 29.826 29.826 32.164 -2.338 19012 5846 1 13 . 1 1 86 86 VAL H H 86 9.122 9.122 8.857 0.265 19012 5847 1 13 . 1 1 87 87 GLU N N 87 126.504 126.504 127.002 -0.498 19012 5848 1 13 . 1 1 87 87 GLU HA H 87 4.215 4.215 4.254 -0.039 19012 5849 1 13 . 1 1 87 87 GLU CA C 87 55.427 55.427 57.861 -2.434 19012 5850 1 13 . 1 1 87 87 GLU CB C 87 29.038 29.038 30.535 -1.497 19012 5851 1 13 . 1 1 87 87 GLU H H 87 8.960 8.960 8.750 0.210 19012 5852 1 13 . 1 1 88 88 THR N N 88 109.146 109.146 112.253 -3.107 19012 5853 1 13 . 1 1 88 88 THR HA H 88 4.560 4.560 4.414 0.146 19012 5854 1 13 . 1 1 88 88 THR CA C 88 57.802 57.802 61.058 -3.256 19012 5855 1 13 . 1 1 88 88 THR CB C 88 69.805 69.805 70.472 -0.668 19012 5856 1 13 . 1 1 88 88 THR H H 88 7.079 7.079 7.424 -0.345 19012 5857 1 13 . 1 1 89 89 GLY N N 89 102.665 102.665 111.913 -9.248 19012 5858 1 13 . 1 1 89 89 GLY CA C 89 42.083 42.083 44.508 -2.425 19012 5859 1 13 . 1 1 89 89 GLY H H 89 7.984 7.984 7.910 0.074 19012 5860 1 13 . 1 1 90 90 SER N N 90 118.973 118.973 115.804 3.169 19012 5861 1 13 . 1 1 90 90 SER HA H 90 4.103 4.103 4.149 -0.046 19012 5862 1 13 . 1 1 90 90 SER CA C 90 58.840 58.840 60.268 -1.428 19012 5863 1 13 . 1 1 90 90 SER CB C 90 60.079 60.079 63.009 -2.930 19012 5864 1 13 . 1 1 90 90 SER H H 90 8.854 8.854 8.515 0.339 19012 5865 1 13 . 1 1 91 91 GLU N N 91 120.699 120.699 118.282 2.417 19012 5866 1 13 . 1 1 91 91 GLU HA H 91 3.676 3.676 4.476 -0.800 19012 5867 1 13 . 1 1 91 91 GLU CA C 91 54.571 54.571 54.978 -0.407 19012 5868 1 13 . 1 1 91 91 GLU CB C 91 26.627 26.627 28.999 -2.372 19012 5869 1 13 . 1 1 91 91 GLU H H 91 10.220 10.220 8.129 2.091 19012 5870 1 13 . 1 1 92 92 ALA N N 92 121.411 121.411 122.176 -0.765 19012 5871 1 13 . 1 1 92 92 ALA HA H 92 3.691 3.691 4.180 -0.489 19012 5872 1 13 . 1 1 92 92 ALA CA C 92 50.916 50.916 53.078 -2.162 19012 5873 1 13 . 1 1 92 92 ALA CB C 92 16.118 16.118 18.311 -2.193 19012 5874 1 13 . 1 1 92 92 ALA H H 92 7.014 7.014 7.359 -0.345 19012 5875 1 13 . 1 1 93 93 GLY N N 93 109.056 109.056 112.521 -3.465 19012 5876 1 13 . 1 1 93 93 GLY CA C 93 42.601 42.601 46.081 -3.480 19012 5877 1 13 . 1 1 93 93 GLY H H 93 8.706 8.706 7.903 0.803 19012 5878 1 13 . 1 1 94 94 THR N N 94 117.255 117.255 115.838 1.417 19012 5879 1 13 . 1 1 94 94 THR HA H 94 4.831 4.831 5.032 -0.201 19012 5880 1 13 . 1 1 94 94 THR CA C 94 60.491 60.491 61.330 -0.839 19012 5881 1 13 . 1 1 94 94 THR CB C 94 66.403 66.403 70.777 -4.374 19012 5882 1 13 . 1 1 94 94 THR H H 94 8.637 8.637 7.823 0.814 19012 5883 1 13 . 1 1 95 95 TYR N N 95 127.051 127.051 123.543 3.508 19012 5884 1 13 . 1 1 95 95 TYR HA H 95 4.564 4.564 5.345 -0.781 19012 5885 1 13 . 1 1 95 95 TYR CA C 95 53.889 53.889 56.919 -3.030 19012 5886 1 13 . 1 1 95 95 TYR CB C 95 39.733 39.733 42.876 -3.143 19012 5887 1 13 . 1 1 95 95 TYR H H 95 10.060 10.060 8.966 1.094 19012 5888 1 13 . 1 1 96 96 LYS N N 96 119.487 119.487 121.207 -1.720 19012 5889 1 13 . 1 1 96 96 LYS HA H 96 5.668 5.668 5.039 0.629 19012 5890 1 13 . 1 1 96 96 LYS CA C 96 50.781 50.781 54.286 -3.505 19012 5891 1 13 . 1 1 96 96 LYS CB C 96 31.840 31.840 33.056 -1.216 19012 5892 1 13 . 1 1 96 96 LYS H H 96 8.960 8.960 8.443 0.517 19012 5893 1 13 . 1 1 97 97 LYS N N 97 128.866 128.866 117.641 11.225 19012 5894 1 13 . 1 1 97 97 LYS HA H 97 3.701 3.701 3.378 0.323 19012 5895 1 13 . 1 1 97 97 LYS CA C 97 55.022 55.022 57.288 -2.265 19012 5896 1 13 . 1 1 97 97 LYS CB C 97 30.744 30.744 32.210 -1.466 19012 5897 1 13 . 1 1 97 97 LYS H H 97 8.729 8.729 8.479 0.250 19012 5898 1 13 . 1 1 98 98 GLN N N 98 127.056 127.056 120.510 6.546 19012 5899 1 13 . 1 1 98 98 GLN HA H 98 4.244 4.244 4.604 -0.360 19012 5900 1 13 . 1 1 98 98 GLN CA C 98 52.689 52.689 54.393 -1.704 19012 5901 1 13 . 1 1 98 98 GLN CB C 98 28.065 28.065 33.186 -5.121 19012 5902 1 13 . 1 1 98 98 GLN H H 98 8.992 8.992 8.233 0.759 19012 5903 1 14 . 1 1 2 2 GLU N N 2 119.968 119.968 122.755 -2.787 19012 5904 1 14 . 1 1 2 2 GLU HA H 2 4.009 4.009 4.529 -0.520 19012 5905 1 14 . 1 1 2 2 GLU CA C 2 53.190 53.190 56.100 -2.910 19012 5906 1 14 . 1 1 2 2 GLU CB C 2 27.574 27.574 30.420 -2.846 19012 5907 1 14 . 1 1 2 2 GLU H H 2 8.212 8.212 8.423 -0.211 19012 5908 1 14 . 1 1 3 3 ASP N N 3 122.057 122.057 124.468 -2.411 19012 5909 1 14 . 1 1 3 3 ASP HA H 3 4.509 4.509 4.828 -0.319 19012 5910 1 14 . 1 1 3 3 ASP CA C 3 50.691 50.691 53.900 -3.209 19012 5911 1 14 . 1 1 3 3 ASP CB C 3 38.121 38.121 40.892 -2.771 19012 5912 1 14 . 1 1 3 3 ASP H H 3 8.209 8.209 8.416 -0.207 19012 5913 1 14 . 1 1 4 4 TRP N N 4 121.397 121.397 123.669 -2.272 19012 5914 1 14 . 1 1 4 4 TRP HA H 4 4.749 4.749 5.397 -0.648 19012 5915 1 14 . 1 1 4 4 TRP CA C 4 53.792 53.792 55.857 -2.065 19012 5916 1 14 . 1 1 4 4 TRP CB C 4 27.994 27.994 31.913 -3.918 19012 5917 1 14 . 1 1 4 4 TRP H H 4 7.614 7.614 8.372 -0.758 19012 5918 1 14 . 1 1 5 5 THR N N 5 117.669 117.669 113.527 4.142 19012 5919 1 14 . 1 1 5 5 THR HA H 5 4.733 4.733 4.660 0.073 19012 5920 1 14 . 1 1 5 5 THR CA C 5 57.170 57.170 60.692 -3.522 19012 5921 1 14 . 1 1 5 5 THR CB C 5 68.444 68.444 70.445 -2.001 19012 5922 1 14 . 1 1 5 5 THR H H 5 9.387 9.387 8.952 0.435 19012 5923 1 14 . 1 1 6 6 GLU N N 6 121.359 121.359 120.598 0.761 19012 5924 1 14 . 1 1 6 6 GLU HA H 6 4.283 4.283 4.266 0.017 19012 5925 1 14 . 1 1 6 6 GLU CA C 6 53.743 53.743 56.762 -3.019 19012 5926 1 14 . 1 1 6 6 GLU CB C 6 28.184 28.184 29.690 -1.506 19012 5927 1 14 . 1 1 6 6 GLU H H 6 8.027 8.027 8.696 -0.669 19012 5928 1 14 . 1 1 7 7 LEU N N 7 126.701 126.701 127.502 -0.801 19012 5929 1 14 . 1 1 7 7 LEU HA H 7 4.217 4.217 4.347 -0.130 19012 5930 1 14 . 1 1 7 7 LEU CA C 7 52.720 52.720 55.506 -2.786 19012 5931 1 14 . 1 1 7 7 LEU CB C 7 40.595 40.595 42.461 -1.866 19012 5932 1 14 . 1 1 7 7 LEU H H 7 8.626 8.626 8.555 0.071 19012 5933 1 14 . 1 1 8 8 ASN N N 8 121.528 121.528 122.016 -0.488 19012 5934 1 14 . 1 1 8 8 ASN HA H 8 4.611 4.611 5.100 -0.489 19012 5935 1 14 . 1 1 8 8 ASN CA C 8 49.652 49.652 51.987 -2.335 19012 5936 1 14 . 1 1 8 8 ASN CB C 8 38.102 38.102 41.201 -3.099 19012 5937 1 14 . 1 1 8 8 ASN H H 8 9.218 9.218 8.047 1.171 19012 5938 1 14 . 1 1 9 9 SER N N 9 109.319 109.319 114.967 -5.648 19012 5939 1 14 . 1 1 9 9 SER HA H 9 4.045 4.045 4.256 -0.211 19012 5940 1 14 . 1 1 9 9 SER CA C 9 58.381 58.381 61.300 -2.918 19012 5941 1 14 . 1 1 9 9 SER CB C 9 60.521 60.521 63.037 -2.516 19012 5942 1 14 . 1 1 9 9 SER H H 9 8.268 8.268 8.784 -0.516 19012 5943 1 14 . 1 1 10 10 ASN N N 10 117.403 117.403 118.651 -1.248 19012 5944 1 14 . 1 1 10 10 ASN HA H 10 4.872 4.872 4.702 0.170 19012 5945 1 14 . 1 1 10 10 ASN CA C 10 52.508 52.508 55.086 -2.578 19012 5946 1 14 . 1 1 10 10 ASN CB C 10 37.905 37.905 38.850 -0.945 19012 5947 1 14 . 1 1 10 10 ASN H H 10 8.610 8.610 8.201 0.409 19012 5948 1 14 . 1 1 11 11 ASN N N 11 119.053 119.053 119.502 -0.449 19012 5949 1 14 . 1 1 11 11 ASN HA H 11 4.396 4.396 4.599 -0.203 19012 5950 1 14 . 1 1 11 11 ASN CA C 11 51.832 51.832 55.665 -3.833 19012 5951 1 14 . 1 1 11 11 ASN CB C 11 34.355 34.355 38.495 -4.141 19012 5952 1 14 . 1 1 11 11 ASN H H 11 8.614 8.614 8.712 -0.098 19012 5953 1 14 . 1 1 12 12 ILE N N 12 117.943 117.943 118.581 -0.638 19012 5954 1 14 . 1 1 12 12 ILE HA H 12 4.185 4.185 4.184 0.001 19012 5955 1 14 . 1 1 12 12 ILE CA C 12 55.309 55.309 61.297 -5.988 19012 5956 1 14 . 1 1 12 12 ILE CB C 12 36.651 36.651 38.714 -2.063 19012 5957 1 14 . 1 1 12 12 ILE H H 12 7.041 7.041 7.346 -0.305 19012 5958 1 14 . 1 1 13 13 ILE N N 13 118.354 118.354 121.523 -3.169 19012 5959 1 14 . 1 1 13 13 ILE HA H 13 3.800 3.800 4.387 -0.587 19012 5960 1 14 . 1 1 13 13 ILE CA C 13 58.469 58.469 60.839 -2.370 19012 5961 1 14 . 1 1 13 13 ILE CB C 13 34.584 34.584 34.831 -0.247 19012 5962 1 14 . 1 1 13 13 ILE H H 13 6.635 6.635 7.470 -0.835 19012 5963 1 14 . 1 1 14 14 GLY N N 14 114.150 114.150 114.996 -0.846 19012 5964 1 14 . 1 1 14 14 GLY CA C 14 41.496 41.496 45.257 -3.761 19012 5965 1 14 . 1 1 14 14 GLY H H 14 8.842 8.842 7.874 0.968 19012 5966 1 14 . 1 1 15 15 TYR N N 15 119.014 119.014 118.376 0.638 19012 5967 1 14 . 1 1 15 15 TYR HA H 15 4.961 4.961 5.190 -0.229 19012 5968 1 14 . 1 1 15 15 TYR CA C 15 54.499 54.499 57.298 -2.799 19012 5969 1 14 . 1 1 15 15 TYR CB C 15 38.075 38.075 40.633 -2.558 19012 5970 1 14 . 1 1 15 15 TYR H H 15 8.264 8.264 8.457 -0.193 19012 5971 1 14 . 1 1 16 16 TRP N N 16 124.101 124.101 119.126 4.975 19012 5972 1 14 . 1 1 16 16 TRP HA H 16 5.175 5.175 5.429 -0.254 19012 5973 1 14 . 1 1 16 16 TRP CA C 16 52.970 52.970 56.692 -3.722 19012 5974 1 14 . 1 1 16 16 TRP CB C 16 28.341 28.341 33.448 -5.107 19012 5975 1 14 . 1 1 16 16 TRP H H 16 9.497 9.497 9.166 0.331 19012 5976 1 14 . 1 1 17 17 SER N N 17 115.863 115.863 115.556 0.307 19012 5977 1 14 . 1 1 17 17 SER HA H 17 6.272 6.272 5.510 0.762 19012 5978 1 14 . 1 1 17 17 SER CA C 17 53.039 53.039 56.501 -3.462 19012 5979 1 14 . 1 1 17 17 SER CB C 17 63.415 63.415 65.657 -2.242 19012 5980 1 14 . 1 1 17 17 SER H H 17 9.182 9.182 9.263 -0.081 19012 5981 1 14 . 1 1 18 18 THR N N 18 119.520 119.520 114.848 4.672 19012 5982 1 14 . 1 1 18 18 THR CB C 18 67.199 67.199 69.944 -2.745 19012 5983 1 14 . 1 1 18 18 THR H H 18 8.996 8.996 8.737 0.259 19012 5984 1 14 . 1 1 19 19 GLY N N 19 110.006 110.006 109.414 0.592 19012 5985 1 14 . 1 1 19 19 GLY CA C 19 42.615 42.615 45.401 -2.785 19012 5986 1 14 . 1 1 19 19 GLY H H 19 8.206 8.206 7.744 0.462 19012 5987 1 14 . 1 1 20 20 ILE N N 20 111.313 111.313 111.870 -0.557 19012 5988 1 14 . 1 1 20 20 ILE HA H 20 3.519 3.519 3.623 -0.104 19012 5989 1 14 . 1 1 20 20 ILE CA C 20 57.765 57.765 59.903 -2.138 19012 5990 1 14 . 1 1 20 20 ILE CB C 20 37.839 37.839 38.597 -0.758 19012 5991 1 14 . 1 1 20 20 ILE H H 20 7.953 7.953 8.131 -0.178 19012 5992 1 14 . 1 1 21 21 GLU N N 21 119.547 119.547 119.728 -0.181 19012 5993 1 14 . 1 1 21 21 GLU HA H 21 4.463 4.463 4.857 -0.394 19012 5994 1 14 . 1 1 21 21 GLU CA C 21 52.227 52.227 54.260 -2.033 19012 5995 1 14 . 1 1 21 21 GLU CB C 21 29.468 29.468 31.777 -2.309 19012 5996 1 14 . 1 1 21 21 GLU H H 21 7.514 7.514 7.424 0.090 19012 5997 1 14 . 1 1 22 22 GLY N N 22 109.534 109.534 109.100 0.434 19012 5998 1 14 . 1 1 22 22 GLY CA C 22 43.582 43.582 46.970 -3.388 19012 5999 1 14 . 1 1 22 22 GLY H H 22 8.457 8.457 8.803 -0.346 19012 6000 1 14 . 1 1 23 23 THR N N 23 124.632 124.632 119.769 4.863 19012 6001 1 14 . 1 1 23 23 THR HA H 23 5.271 5.271 5.237 0.034 19012 6002 1 14 . 1 1 23 23 THR CA C 23 60.060 60.060 61.586 -1.526 19012 6003 1 14 . 1 1 23 23 THR CB C 23 65.680 65.680 72.162 -6.482 19012 6004 1 14 . 1 1 23 23 THR H H 23 8.881 8.881 7.997 0.884 19012 6005 1 14 . 1 1 24 24 HIS N N 24 122.881 122.881 120.055 2.826 19012 6006 1 14 . 1 1 24 24 HIS HA H 24 4.780 4.780 5.121 -0.341 19012 6007 1 14 . 1 1 24 24 HIS CA C 24 50.970 50.970 55.045 -4.075 19012 6008 1 14 . 1 1 24 24 HIS CB C 24 27.898 27.898 31.659 -3.760 19012 6009 1 14 . 1 1 24 24 HIS H H 24 8.919 8.919 9.253 -0.334 19012 6010 1 14 . 1 1 25 25 LYS N N 25 119.738 119.738 119.607 0.131 19012 6011 1 14 . 1 1 25 25 LYS HA H 25 5.437 5.437 4.990 0.447 19012 6012 1 14 . 1 1 25 25 LYS CA C 25 52.650 52.650 55.800 -3.150 19012 6013 1 14 . 1 1 25 25 LYS CB C 25 33.277 33.277 35.924 -2.647 19012 6014 1 14 . 1 1 25 25 LYS H H 25 8.816 8.816 8.757 0.059 19012 6015 1 14 . 1 1 26 26 LEU N N 26 126.017 126.017 122.996 3.021 19012 6016 1 14 . 1 1 26 26 LEU HA H 26 5.825 5.825 5.370 0.455 19012 6017 1 14 . 1 1 26 26 LEU CA C 26 51.614 51.614 52.837 -1.223 19012 6018 1 14 . 1 1 26 26 LEU CB C 26 44.544 44.544 44.933 -0.389 19012 6019 1 14 . 1 1 26 26 LEU H H 26 9.420 9.420 8.818 0.602 19012 6020 1 14 . 1 1 27 27 LEU N N 27 128.825 128.825 122.155 6.670 19012 6021 1 14 . 1 1 27 27 LEU HA H 27 5.417 5.417 5.043 0.374 19012 6022 1 14 . 1 1 27 27 LEU CA C 27 50.740 50.740 53.883 -3.143 19012 6023 1 14 . 1 1 27 27 LEU CB C 27 44.569 44.569 46.714 -2.145 19012 6024 1 14 . 1 1 27 27 LEU H H 27 9.475 9.475 8.420 1.055 19012 6025 1 14 . 1 1 28 28 SER N N 28 117.701 117.701 114.117 3.584 19012 6026 1 14 . 1 1 28 28 SER HA H 28 5.337 5.337 5.498 -0.161 19012 6027 1 14 . 1 1 28 28 SER CA C 28 53.530 53.530 56.958 -3.428 19012 6028 1 14 . 1 1 28 28 SER CB C 28 63.368 63.368 66.031 -2.663 19012 6029 1 14 . 1 1 28 28 SER H H 28 8.859 8.859 8.368 0.491 19012 6030 1 14 . 1 1 29 29 PHE N N 29 117.319 117.319 119.160 -1.841 19012 6031 1 14 . 1 1 29 29 PHE HA H 29 4.679 4.679 4.787 -0.108 19012 6032 1 14 . 1 1 29 29 PHE CA C 29 54.565 54.565 57.749 -3.184 19012 6033 1 14 . 1 1 29 29 PHE CB C 29 39.104 39.104 42.512 -3.408 19012 6034 1 14 . 1 1 29 29 PHE H H 29 8.401 8.401 8.726 -0.325 19012 6035 1 14 . 1 1 30 30 ASP N N 30 123.741 123.741 124.741 -1.000 19012 6036 1 14 . 1 1 30 30 ASP HA H 30 5.217 5.217 4.866 0.351 19012 6037 1 14 . 1 1 30 30 ASP CA C 30 50.408 50.408 54.969 -4.561 19012 6038 1 14 . 1 1 30 30 ASP CB C 30 41.148 41.148 43.081 -1.933 19012 6039 1 14 . 1 1 30 30 ASP H H 30 9.573 9.573 8.708 0.865 19012 6040 1 14 . 1 1 31 31 GLU N N 31 127.123 127.123 120.997 6.126 19012 6041 1 14 . 1 1 31 31 GLU HA H 31 4.127 4.127 4.313 -0.186 19012 6042 1 14 . 1 1 31 31 GLU CA C 31 56.324 56.324 59.276 -2.953 19012 6043 1 14 . 1 1 31 31 GLU CB C 31 27.283 27.283 30.378 -3.095 19012 6044 1 14 . 1 1 31 31 GLU H H 31 9.718 9.718 8.762 0.956 19012 6045 1 14 . 1 1 32 32 ASP N N 32 119.011 119.011 117.290 1.721 19012 6046 1 14 . 1 1 32 32 ASP HA H 32 4.443 4.443 4.791 -0.348 19012 6047 1 14 . 1 1 32 32 ASP CA C 32 50.919 50.919 54.125 -3.206 19012 6048 1 14 . 1 1 32 32 ASP CB C 32 37.344 37.344 41.693 -4.349 19012 6049 1 14 . 1 1 32 32 ASP H H 32 8.911 8.911 8.473 0.438 19012 6050 1 14 . 1 1 33 33 GLY N N 33 106.215 106.215 109.165 -2.950 19012 6051 1 14 . 1 1 33 33 GLY CA C 33 43.879 43.879 44.676 -0.797 19012 6052 1 14 . 1 1 33 33 GLY H H 33 7.781 7.781 8.188 -0.407 19012 6053 1 14 . 1 1 34 34 THR N N 34 111.570 111.570 111.006 0.564 19012 6054 1 14 . 1 1 34 34 THR HA H 34 5.474 5.474 4.498 0.976 19012 6055 1 14 . 1 1 34 34 THR CA C 34 57.389 57.389 60.401 -3.012 19012 6056 1 14 . 1 1 34 34 THR CB C 34 69.991 69.991 71.541 -1.550 19012 6057 1 14 . 1 1 34 34 THR H H 34 7.863 7.863 7.777 0.086 19012 6058 1 14 . 1 1 35 35 GLY N N 35 106.781 106.781 106.859 -0.078 19012 6059 1 14 . 1 1 35 35 GLY CA C 35 43.233 43.233 42.875 0.358 19012 6060 1 14 . 1 1 35 35 GLY H H 35 8.235 8.235 8.607 -0.372 19012 6061 1 14 . 1 1 36 36 SER N N 36 113.807 113.807 114.381 -0.574 19012 6062 1 14 . 1 1 36 36 SER HA H 36 4.659 4.659 4.756 -0.097 19012 6063 1 14 . 1 1 36 36 SER CA C 36 54.509 54.509 56.743 -2.234 19012 6064 1 14 . 1 1 36 36 SER CB C 36 64.821 64.821 67.008 -2.187 19012 6065 1 14 . 1 1 36 36 SER H H 36 8.182 8.182 8.090 0.092 19012 6066 1 14 . 1 1 37 37 PHE N N 37 120.041 120.041 122.409 -2.368 19012 6067 1 14 . 1 1 37 37 PHE HA H 37 5.885 5.885 4.915 0.970 19012 6068 1 14 . 1 1 37 37 PHE CA C 37 52.308 52.308 56.495 -4.187 19012 6069 1 14 . 1 1 37 37 PHE CB C 37 41.174 41.174 43.481 -2.307 19012 6070 1 14 . 1 1 37 37 PHE H H 37 8.829 8.829 8.218 0.611 19012 6071 1 14 . 1 1 38 38 GLY N N 38 115.263 115.263 114.301 0.962 19012 6072 1 14 . 1 1 38 38 GLY CA C 38 42.092 42.092 44.177 -2.085 19012 6073 1 14 . 1 1 38 38 GLY H H 38 8.936 8.936 8.197 0.739 19012 6074 1 14 . 1 1 39 39 ILE N N 39 119.791 119.791 125.141 -5.350 19012 6075 1 14 . 1 1 39 39 ILE HA H 39 4.292 4.292 4.232 0.060 19012 6076 1 14 . 1 1 39 39 ILE CA C 39 58.280 58.280 61.867 -3.587 19012 6077 1 14 . 1 1 39 39 ILE CB C 39 36.838 36.838 38.907 -2.069 19012 6078 1 14 . 1 1 39 39 ILE H H 39 7.724 7.724 8.256 -0.532 19012 6079 1 14 . 1 1 40 40 TYR N N 40 125.748 125.748 124.756 0.992 19012 6080 1 14 . 1 1 40 40 TYR HA H 40 4.742 4.742 4.990 -0.248 19012 6081 1 14 . 1 1 40 40 TYR CA C 40 53.881 53.881 56.540 -2.659 19012 6082 1 14 . 1 1 40 40 TYR CB C 40 39.894 39.894 41.732 -1.838 19012 6083 1 14 . 1 1 40 40 TYR H H 40 8.782 8.782 9.026 -0.244 19012 6084 1 14 . 1 1 41 41 SER N N 41 114.721 114.721 120.050 -5.329 19012 6085 1 14 . 1 1 41 41 SER HA H 41 4.689 4.689 4.588 0.101 19012 6086 1 14 . 1 1 41 41 SER CA C 41 53.337 53.337 59.338 -6.001 19012 6087 1 14 . 1 1 41 41 SER CB C 41 60.205 60.205 64.144 -3.939 19012 6088 1 14 . 1 1 41 41 SER H H 41 8.708 8.708 8.758 -0.050 19012 6089 1 14 . 1 1 42 42 ASN N N 42 124.063 124.063 124.255 -0.192 19012 6090 1 14 . 1 1 42 42 ASN HA H 42 4.298 4.298 4.396 -0.098 19012 6091 1 14 . 1 1 42 42 ASN CA C 42 54.083 54.083 56.737 -2.654 19012 6092 1 14 . 1 1 42 42 ASN CB C 42 34.720 34.720 38.447 -3.727 19012 6093 1 14 . 1 1 42 42 ASN H H 42 9.239 9.239 9.161 0.078 19012 6094 1 14 . 1 1 43 43 ALA N N 43 125.505 125.505 123.252 2.253 19012 6095 1 14 . 1 1 43 43 ALA HA H 43 4.576 4.576 4.844 -0.268 19012 6096 1 14 . 1 1 43 43 ALA CA C 43 50.170 50.170 52.241 -2.071 19012 6097 1 14 . 1 1 43 43 ALA CB C 43 16.678 16.678 19.822 -3.144 19012 6098 1 14 . 1 1 43 43 ALA H H 43 8.468 8.468 7.899 0.569 19012 6099 1 14 . 1 1 44 44 THR N N 44 119.056 119.056 116.152 2.904 19012 6100 1 14 . 1 1 44 44 THR HA H 44 4.550 4.550 4.726 -0.176 19012 6101 1 14 . 1 1 44 44 THR CA C 44 58.028 58.028 60.396 -2.368 19012 6102 1 14 . 1 1 44 44 THR CB C 44 68.176 68.176 71.062 -2.886 19012 6103 1 14 . 1 1 44 44 THR H H 44 8.420 8.420 8.761 -0.341 19012 6104 1 14 . 1 1 45 45 PRO HA H 45 3.797 3.797 3.681 0.116 19012 6105 1 14 . 1 1 45 45 PRO CA C 45 60.280 60.280 62.572 -2.292 19012 6106 1 14 . 1 1 45 45 PRO CB C 45 28.488 28.488 31.297 -2.808 19012 6107 1 14 . 1 1 46 46 ILE N N 46 124.607 124.607 123.745 0.862 19012 6108 1 14 . 1 1 46 46 ILE HA H 46 4.023 4.023 4.334 -0.311 19012 6109 1 14 . 1 1 46 46 ILE CA C 46 58.609 58.609 60.397 -1.788 19012 6110 1 14 . 1 1 46 46 ILE CB C 46 35.652 35.652 37.296 -1.644 19012 6111 1 14 . 1 1 46 46 ILE H H 46 8.998 8.998 8.524 0.473 19012 6112 1 14 . 1 1 47 47 SER N N 47 112.826 112.826 115.946 -3.120 19012 6113 1 14 . 1 1 47 47 SER HA H 47 4.474 4.474 4.594 -0.120 19012 6114 1 14 . 1 1 47 47 SER CA C 47 54.926 54.926 57.921 -2.995 19012 6115 1 14 . 1 1 47 47 SER CB C 47 62.419 62.419 65.088 -2.669 19012 6116 1 14 . 1 1 47 47 SER H H 47 7.439 7.439 7.506 -0.067 19012 6117 1 14 . 1 1 48 48 PHE N N 48 123.266 123.266 121.711 1.555 19012 6118 1 14 . 1 1 48 48 PHE HA H 48 5.194 5.194 4.905 0.289 19012 6119 1 14 . 1 1 48 48 PHE CA C 48 55.624 55.624 57.916 -2.292 19012 6120 1 14 . 1 1 48 48 PHE CB C 48 40.000 40.000 41.607 -1.607 19012 6121 1 14 . 1 1 48 48 PHE H H 48 8.238 8.238 8.330 -0.092 19012 6122 1 14 . 1 1 49 49 GLN N N 49 123.564 123.564 123.972 -0.408 19012 6123 1 14 . 1 1 49 49 GLN HA H 49 4.935 4.935 5.017 -0.082 19012 6124 1 14 . 1 1 49 49 GLN CA C 49 51.294 51.294 54.256 -2.962 19012 6125 1 14 . 1 1 49 49 GLN CB C 49 29.688 29.688 32.986 -3.298 19012 6126 1 14 . 1 1 49 49 GLN H H 49 8.607 8.607 8.654 -0.047 19012 6127 1 14 . 1 1 50 50 MET N N 50 120.626 120.626 116.967 3.659 19012 6128 1 14 . 1 1 50 50 MET HA H 50 4.637 4.637 4.775 -0.138 19012 6129 1 14 . 1 1 50 50 MET CA C 50 51.562 51.562 54.741 -3.179 19012 6130 1 14 . 1 1 50 50 MET CB C 50 33.549 33.549 38.263 -4.714 19012 6131 1 14 . 1 1 50 50 MET H H 50 9.071 9.071 8.242 0.829 19012 6132 1 14 . 1 1 51 51 PHE N N 51 112.996 112.996 113.769 -0.773 19012 6133 1 14 . 1 1 51 51 PHE HA H 51 4.928 4.928 5.228 -0.300 19012 6134 1 14 . 1 1 51 51 PHE CA C 51 53.899 53.899 56.668 -2.769 19012 6135 1 14 . 1 1 51 51 PHE CB C 51 38.018 38.018 41.177 -3.159 19012 6136 1 14 . 1 1 52 52 ASP N N 52 118.727 118.727 120.525 -1.798 19012 6137 1 14 . 1 1 52 52 ASP HA H 52 5.640 5.640 4.784 0.856 19012 6138 1 14 . 1 1 52 52 ASP CA C 52 50.264 50.264 54.149 -3.885 19012 6139 1 14 . 1 1 52 52 ASP CB C 52 38.971 38.971 43.702 -4.731 19012 6140 1 14 . 1 1 52 52 ASP H H 52 8.469 8.469 8.344 0.125 19012 6141 1 14 . 1 1 53 53 TYR N N 53 115.709 115.709 113.432 2.277 19012 6142 1 14 . 1 1 53 53 TYR HA H 53 6.351 6.351 5.381 0.970 19012 6143 1 14 . 1 1 53 53 TYR CA C 53 53.296 53.296 56.187 -2.891 19012 6144 1 14 . 1 1 53 53 TYR CB C 53 40.764 40.764 41.632 -0.868 19012 6145 1 14 . 1 1 53 53 TYR H H 53 8.725 8.725 8.126 0.599 19012 6146 1 14 . 1 1 54 54 LYS N N 54 118.766 118.766 119.303 -0.537 19012 6147 1 14 . 1 1 54 54 LYS HA H 54 4.445 4.445 4.732 -0.287 19012 6148 1 14 . 1 1 54 54 LYS CA C 54 52.187 52.187 54.396 -2.209 19012 6149 1 14 . 1 1 54 54 LYS CB C 54 34.819 34.819 37.136 -2.317 19012 6150 1 14 . 1 1 54 54 LYS H H 54 8.972 8.972 8.837 0.135 19012 6151 1 14 . 1 1 55 55 ILE N N 55 122.406 122.406 120.249 2.157 19012 6152 1 14 . 1 1 55 55 ILE HA H 55 4.796 4.796 5.006 -0.210 19012 6153 1 14 . 1 1 55 55 ILE CA C 55 56.172 56.172 59.898 -3.726 19012 6154 1 14 . 1 1 55 55 ILE CB C 55 33.404 33.404 37.040 -3.636 19012 6155 1 14 . 1 1 55 55 ILE H H 55 8.832 8.832 8.542 0.290 19012 6156 1 14 . 1 1 56 56 GLU N N 56 128.507 128.507 125.383 3.124 19012 6157 1 14 . 1 1 56 56 GLU HA H 56 4.575 4.575 4.508 0.067 19012 6158 1 14 . 1 1 56 56 GLU CA C 56 52.300 52.300 56.417 -4.117 19012 6159 1 14 . 1 1 56 56 GLU CB C 56 30.432 30.432 30.755 -0.323 19012 6160 1 14 . 1 1 56 56 GLU H H 56 8.787 8.787 8.984 -0.197 19012 6161 1 14 . 1 1 57 57 GLU N N 57 125.606 125.606 118.318 7.288 19012 6162 1 14 . 1 1 57 57 GLU HA H 57 3.809 3.809 4.434 -0.625 19012 6163 1 14 . 1 1 57 57 GLU CA C 57 54.254 54.254 56.944 -2.690 19012 6164 1 14 . 1 1 57 57 GLU CB C 57 25.445 25.445 30.255 -4.809 19012 6165 1 14 . 1 1 57 57 GLU H H 57 9.296 9.296 8.315 0.981 19012 6166 1 14 . 1 1 58 58 GLY N N 58 103.913 103.913 107.741 -3.828 19012 6167 1 14 . 1 1 58 58 GLY CA C 58 43.401 43.401 45.843 -2.442 19012 6168 1 14 . 1 1 58 58 GLY H H 58 8.267 8.267 8.656 -0.389 19012 6169 1 14 . 1 1 59 59 ARG N N 59 119.125 119.125 117.611 1.514 19012 6170 1 14 . 1 1 59 59 ARG HA H 59 4.787 4.787 4.573 0.214 19012 6171 1 14 . 1 1 59 59 ARG CA C 59 51.812 51.812 54.262 -2.450 19012 6172 1 14 . 1 1 59 59 ARG CB C 59 32.023 32.023 33.557 -1.534 19012 6173 1 14 . 1 1 59 59 ARG H H 59 7.840 7.840 7.550 0.290 19012 6174 1 14 . 1 1 60 60 ILE N N 60 118.464 118.464 118.699 -0.235 19012 6175 1 14 . 1 1 60 60 ILE HA H 60 4.409 4.409 4.586 -0.177 19012 6176 1 14 . 1 1 60 60 ILE CA C 60 58.461 58.461 61.620 -3.159 19012 6177 1 14 . 1 1 60 60 ILE CB C 60 36.943 36.943 39.083 -2.140 19012 6178 1 14 . 1 1 60 60 ILE H H 60 8.150 8.150 8.483 -0.333 19012 6179 1 14 . 1 1 61 61 TYR N N 61 130.267 130.267 124.296 5.971 19012 6180 1 14 . 1 1 61 61 TYR HA H 61 4.399 4.399 4.627 -0.228 19012 6181 1 14 . 1 1 61 61 TYR CA C 61 53.435 53.435 55.458 -2.022 19012 6182 1 14 . 1 1 61 61 TYR CB C 61 37.443 37.443 39.725 -2.282 19012 6183 1 14 . 1 1 61 61 TYR H H 61 9.304 9.304 8.124 1.180 19012 6184 1 14 . 1 1 62 62 ILE N N 62 129.152 129.152 127.189 1.963 19012 6185 1 14 . 1 1 62 62 ILE HA H 62 4.035 4.035 4.210 -0.175 19012 6186 1 14 . 1 1 62 62 ILE CA C 62 55.538 55.538 58.828 -3.289 19012 6187 1 14 . 1 1 62 62 ILE CB C 62 33.654 33.654 38.567 -4.913 19012 6188 1 14 . 1 1 62 62 ILE H H 62 8.326 8.326 8.363 -0.037 19012 6189 1 14 . 1 1 63 63 TYR N N 63 119.836 119.836 119.479 0.357 19012 6190 1 14 . 1 1 63 63 TYR HA H 63 4.563 4.563 4.464 0.099 19012 6191 1 14 . 1 1 63 63 TYR CA C 63 52.035 52.035 55.874 -3.839 19012 6192 1 14 . 1 1 63 63 TYR CB C 63 36.267 36.267 40.056 -3.789 19012 6193 1 14 . 1 1 63 63 TYR H H 63 8.397 8.397 7.894 0.503 19012 6194 1 14 . 1 1 64 64 ASP N N 64 117.747 117.747 119.302 -1.555 19012 6195 1 14 . 1 1 64 64 ASP HA H 64 4.270 4.270 4.791 -0.521 19012 6196 1 14 . 1 1 64 64 ASP CA C 64 51.384 51.384 53.748 -2.364 19012 6197 1 14 . 1 1 64 64 ASP CB C 64 35.510 35.510 42.161 -6.651 19012 6198 1 14 . 1 1 64 64 ASP H H 64 8.570 8.570 7.611 0.960 19012 6199 1 14 . 1 1 65 65 VAL N N 65 117.619 117.619 119.986 -2.367 19012 6200 1 14 . 1 1 65 65 VAL HA H 65 4.329 4.329 5.096 -0.767 19012 6201 1 14 . 1 1 65 65 VAL CA C 65 61.015 61.015 60.757 0.258 19012 6202 1 14 . 1 1 65 65 VAL CB C 65 29.350 29.350 35.271 -5.921 19012 6203 1 14 . 1 1 65 65 VAL H H 65 8.116 8.116 8.287 -0.171 19012 6204 1 14 . 1 1 66 66 TYR N N 66 127.317 127.317 125.000 2.317 19012 6205 1 14 . 1 1 66 66 TYR HA H 66 4.567 4.567 5.123 -0.556 19012 6206 1 14 . 1 1 66 66 TYR CA C 66 53.116 53.116 55.953 -2.837 19012 6207 1 14 . 1 1 66 66 TYR CB C 66 39.090 39.090 40.422 -1.332 19012 6208 1 14 . 1 1 66 66 TYR H H 66 8.911 8.911 8.831 0.080 19012 6209 1 14 . 1 1 67 67 PRO HA H 67 3.778 3.778 4.148 -0.370 19012 6210 1 14 . 1 1 67 67 PRO CA C 67 60.736 60.736 63.690 -2.954 19012 6211 1 14 . 1 1 67 67 PRO CB C 67 32.039 32.039 31.867 0.172 19012 6212 1 14 . 1 1 68 68 ASP N N 68 122.446 122.446 120.708 1.738 19012 6213 1 14 . 1 1 68 68 ASP HA H 68 4.595 4.595 4.722 -0.127 19012 6214 1 14 . 1 1 68 68 ASP CA C 68 51.405 51.405 53.312 -1.907 19012 6215 1 14 . 1 1 68 68 ASP CB C 68 37.732 37.732 42.116 -4.384 19012 6216 1 14 . 1 1 68 68 ASP H H 68 8.017 8.017 7.920 0.097 19012 6217 1 14 . 1 1 69 69 GLU N N 69 121.842 121.842 121.531 0.311 19012 6218 1 14 . 1 1 69 69 GLU HA H 69 4.167 4.167 4.583 -0.416 19012 6219 1 14 . 1 1 69 69 GLU CA C 69 54.191 54.191 56.009 -1.818 19012 6220 1 14 . 1 1 69 69 GLU CB C 69 27.200 27.200 30.798 -3.598 19012 6221 1 14 . 1 1 69 69 GLU H H 69 8.109 8.109 8.506 -0.397 19012 6222 1 14 . 1 1 70 70 LYS N N 70 121.975 121.975 122.737 -0.762 19012 6223 1 14 . 1 1 70 70 LYS HA H 70 4.532 4.532 4.546 -0.014 19012 6224 1 14 . 1 1 70 70 LYS CA C 70 52.097 52.097 54.284 -2.187 19012 6225 1 14 . 1 1 70 70 LYS CB C 70 33.247 33.247 34.371 -1.124 19012 6226 1 14 . 1 1 70 70 LYS H H 70 7.646 7.646 8.238 -0.592 19012 6227 1 14 . 1 1 71 71 THR N N 71 120.177 120.177 117.316 2.861 19012 6228 1 14 . 1 1 71 71 THR HA H 71 4.386 4.386 4.385 0.001 19012 6229 1 14 . 1 1 71 71 THR CA C 71 58.759 58.759 60.603 -1.844 19012 6230 1 14 . 1 1 71 71 THR CB C 71 66.724 66.724 69.326 -2.602 19012 6231 1 14 . 1 1 71 71 THR H H 71 8.258 8.258 8.448 -0.190 19012 6232 1 14 . 1 1 72 72 PRO HA H 72 4.389 4.389 4.326 0.063 19012 6233 1 14 . 1 1 72 72 PRO CA C 72 61.688 61.688 62.797 -1.109 19012 6234 1 14 . 1 1 72 72 PRO CB C 72 31.440 31.440 32.863 -1.423 19012 6235 1 14 . 1 1 73 73 TYR N N 73 118.747 118.747 115.714 3.033 19012 6236 1 14 . 1 1 73 73 TYR HA H 73 4.857 4.857 4.916 -0.059 19012 6237 1 14 . 1 1 73 73 TYR CA C 73 52.643 52.643 56.613 -3.970 19012 6238 1 14 . 1 1 73 73 TYR CB C 73 37.470 37.470 39.165 -1.695 19012 6239 1 14 . 1 1 73 73 TYR H H 73 7.988 7.988 8.260 -0.272 19012 6240 1 14 . 1 1 74 74 TYR N N 74 114.692 114.692 119.600 -4.908 19012 6241 1 14 . 1 1 74 74 TYR HA H 74 5.548 5.548 5.246 0.302 19012 6242 1 14 . 1 1 74 74 TYR CA C 74 53.855 53.855 57.116 -3.261 19012 6243 1 14 . 1 1 74 74 TYR CB C 74 39.316 39.316 38.533 0.783 19012 6244 1 14 . 1 1 74 74 TYR H H 74 8.370 8.370 8.733 -0.363 19012 6245 1 14 . 1 1 75 75 LEU N N 75 120.717 120.717 125.642 -4.925 19012 6246 1 14 . 1 1 75 75 LEU HA H 75 4.456 4.456 4.411 0.045 19012 6247 1 14 . 1 1 75 75 LEU CA C 75 50.648 50.648 54.592 -3.944 19012 6248 1 14 . 1 1 75 75 LEU CB C 75 41.979 41.979 42.845 -0.866 19012 6249 1 14 . 1 1 75 75 LEU H H 75 9.467 9.467 8.584 0.883 19012 6250 1 14 . 1 1 76 76 ASP N N 76 123.675 123.675 121.160 2.515 19012 6251 1 14 . 1 1 76 76 ASP HA H 76 5.041 5.041 4.727 0.314 19012 6252 1 14 . 1 1 76 76 ASP CA C 76 51.324 51.324 53.799 -2.475 19012 6253 1 14 . 1 1 76 76 ASP CB C 76 39.376 39.376 41.736 -2.360 19012 6254 1 14 . 1 1 76 76 ASP H H 76 7.825 7.825 8.532 -0.707 19012 6255 1 14 . 1 1 77 77 CYS N N 77 118.147 118.147 117.481 0.666 19012 6256 1 14 . 1 1 77 77 CYS HA H 77 5.514 5.514 5.225 0.289 19012 6257 1 14 . 1 1 77 77 CYS CA C 77 53.205 53.205 56.322 -3.117 19012 6258 1 14 . 1 1 77 77 CYS CB C 77 30.347 30.347 31.918 -1.571 19012 6259 1 14 . 1 1 77 77 CYS H H 77 8.504 8.504 8.502 0.002 19012 6260 1 14 . 1 1 78 78 LYS N N 78 119.791 119.791 117.941 1.850 19012 6261 1 14 . 1 1 78 78 LYS HA H 78 4.398 4.398 4.614 -0.216 19012 6262 1 14 . 1 1 78 78 LYS CA C 78 52.033 52.033 54.948 -2.915 19012 6263 1 14 . 1 1 78 78 LYS CB C 78 33.618 33.618 35.921 -2.303 19012 6264 1 14 . 1 1 78 78 LYS H H 78 8.483 8.483 8.489 -0.006 19012 6265 1 14 . 1 1 79 79 ILE N N 79 122.179 122.179 120.672 1.507 19012 6266 1 14 . 1 1 79 79 ILE HA H 79 5.410 5.410 5.133 0.277 19012 6267 1 14 . 1 1 79 79 ILE CA C 79 56.581 56.581 60.192 -3.611 19012 6268 1 14 . 1 1 79 79 ILE CB C 79 41.302 41.302 41.821 -0.519 19012 6269 1 14 . 1 1 79 79 ILE H H 79 8.923 8.923 8.839 0.084 19012 6270 1 14 . 1 1 80 80 SER N N 80 122.640 122.640 121.437 1.203 19012 6271 1 14 . 1 1 80 80 SER HA H 80 4.760 4.760 4.829 -0.069 19012 6272 1 14 . 1 1 80 80 SER CB C 80 62.504 62.504 64.623 -2.119 19012 6273 1 14 . 1 1 80 80 SER H H 80 9.150 9.150 9.531 -0.381 19012 6274 1 14 . 1 1 81 81 GLY N N 81 111.781 111.781 110.805 0.976 19012 6275 1 14 . 1 1 81 81 GLY CA C 81 44.910 44.910 46.190 -1.280 19012 6276 1 14 . 1 1 81 81 GLY H H 81 8.832 8.832 8.216 0.615 19012 6277 1 14 . 1 1 82 82 THR N N 82 110.902 110.902 112.559 -1.657 19012 6278 1 14 . 1 1 82 82 THR HA H 82 4.541 4.541 4.628 -0.087 19012 6279 1 14 . 1 1 82 82 THR CA C 82 58.833 58.833 62.589 -3.756 19012 6280 1 14 . 1 1 82 82 THR H H 82 8.284 8.284 8.061 0.223 19012 6281 1 14 . 1 1 83 83 THR N N 83 119.808 119.808 120.941 -1.133 19012 6282 1 14 . 1 1 83 83 THR HA H 83 5.576 5.576 5.243 0.333 19012 6283 1 14 . 1 1 83 83 THR CA C 83 59.711 59.711 62.690 -2.979 19012 6284 1 14 . 1 1 83 83 THR CB C 83 68.486 68.486 69.670 -1.184 19012 6285 1 14 . 1 1 83 83 THR H H 83 8.178 8.178 7.982 0.196 19012 6286 1 14 . 1 1 84 84 LEU N N 84 128.946 128.946 130.193 -1.247 19012 6287 1 14 . 1 1 84 84 LEU HA H 84 4.787 4.787 4.389 0.398 19012 6288 1 14 . 1 1 84 84 LEU CA C 84 50.979 50.979 53.898 -2.919 19012 6289 1 14 . 1 1 84 84 LEU CB C 84 43.114 43.114 42.578 0.536 19012 6290 1 14 . 1 1 84 84 LEU H H 84 9.103 9.103 8.934 0.169 19012 6291 1 14 . 1 1 85 85 LYS N N 85 129.439 129.439 128.831 0.608 19012 6292 1 14 . 1 1 85 85 LYS HA H 85 5.220 5.220 4.477 0.743 19012 6293 1 14 . 1 1 85 85 LYS CA C 85 52.028 52.028 54.701 -2.673 19012 6294 1 14 . 1 1 85 85 LYS CB C 85 32.656 32.656 32.744 -0.088 19012 6295 1 14 . 1 1 85 85 LYS H H 85 9.336 9.336 8.634 0.702 19012 6296 1 14 . 1 1 86 86 VAL N N 86 127.719 127.719 128.842 -1.123 19012 6297 1 14 . 1 1 86 86 VAL HA H 86 4.279 4.279 3.932 0.347 19012 6298 1 14 . 1 1 86 86 VAL CA C 86 59.179 59.179 62.565 -3.386 19012 6299 1 14 . 1 1 86 86 VAL CB C 86 29.826 29.826 31.958 -2.132 19012 6300 1 14 . 1 1 86 86 VAL H H 86 9.122 9.122 8.793 0.329 19012 6301 1 14 . 1 1 87 87 GLU N N 87 126.504 126.504 128.434 -1.930 19012 6302 1 14 . 1 1 87 87 GLU HA H 87 4.215 4.215 4.284 -0.069 19012 6303 1 14 . 1 1 87 87 GLU CA C 87 55.427 55.427 58.336 -2.909 19012 6304 1 14 . 1 1 87 87 GLU CB C 87 29.038 29.038 30.831 -1.793 19012 6305 1 14 . 1 1 87 87 GLU H H 87 8.960 8.960 8.899 0.061 19012 6306 1 14 . 1 1 88 88 THR N N 88 109.146 109.146 110.675 -1.529 19012 6307 1 14 . 1 1 88 88 THR HA H 88 4.560 4.560 4.431 0.129 19012 6308 1 14 . 1 1 88 88 THR CA C 88 57.802 57.802 60.751 -2.949 19012 6309 1 14 . 1 1 88 88 THR CB C 88 69.805 69.805 70.489 -0.684 19012 6310 1 14 . 1 1 88 88 THR H H 88 7.079 7.079 7.719 -0.640 19012 6311 1 14 . 1 1 89 89 GLY N N 89 102.665 102.665 110.288 -7.623 19012 6312 1 14 . 1 1 89 89 GLY CA C 89 42.083 42.083 44.479 -2.396 19012 6313 1 14 . 1 1 89 89 GLY H H 89 7.984 7.984 8.012 -0.028 19012 6314 1 14 . 1 1 90 90 SER N N 90 118.973 118.973 116.937 2.036 19012 6315 1 14 . 1 1 90 90 SER HA H 90 4.103 4.103 4.076 0.027 19012 6316 1 14 . 1 1 90 90 SER CA C 90 58.840 58.840 61.663 -2.824 19012 6317 1 14 . 1 1 90 90 SER CB C 90 60.079 60.079 63.172 -3.093 19012 6318 1 14 . 1 1 90 90 SER H H 90 8.854 8.854 8.829 0.025 19012 6319 1 14 . 1 1 91 91 GLU N N 91 120.699 120.699 118.094 2.605 19012 6320 1 14 . 1 1 91 91 GLU HA H 91 3.676 3.676 4.212 -0.536 19012 6321 1 14 . 1 1 91 91 GLU CA C 91 54.571 54.571 55.626 -1.055 19012 6322 1 14 . 1 1 91 91 GLU CB C 91 26.627 26.627 28.707 -2.080 19012 6323 1 14 . 1 1 91 91 GLU H H 91 10.220 10.220 8.152 2.068 19012 6324 1 14 . 1 1 92 92 ALA N N 92 121.411 121.411 123.346 -1.935 19012 6325 1 14 . 1 1 92 92 ALA HA H 92 3.691 3.691 3.978 -0.287 19012 6326 1 14 . 1 1 92 92 ALA CA C 92 50.916 50.916 53.469 -2.553 19012 6327 1 14 . 1 1 92 92 ALA CB C 92 16.118 16.118 17.854 -1.736 19012 6328 1 14 . 1 1 92 92 ALA H H 92 7.014 7.014 7.320 -0.306 19012 6329 1 14 . 1 1 93 93 GLY N N 93 109.056 109.056 110.827 -1.771 19012 6330 1 14 . 1 1 93 93 GLY CA C 93 42.601 42.601 44.812 -2.211 19012 6331 1 14 . 1 1 93 93 GLY H H 93 8.706 8.706 7.622 1.084 19012 6332 1 14 . 1 1 94 94 THR N N 94 117.255 117.255 114.927 2.328 19012 6333 1 14 . 1 1 94 94 THR HA H 94 4.831 4.831 5.355 -0.524 19012 6334 1 14 . 1 1 94 94 THR CA C 94 60.491 60.491 59.742 0.749 19012 6335 1 14 . 1 1 94 94 THR CB C 94 66.403 66.403 70.605 -4.202 19012 6336 1 14 . 1 1 94 94 THR H H 94 8.637 8.637 7.725 0.912 19012 6337 1 14 . 1 1 95 95 TYR N N 95 127.051 127.051 121.249 5.802 19012 6338 1 14 . 1 1 95 95 TYR HA H 95 4.564 4.564 4.996 -0.432 19012 6339 1 14 . 1 1 95 95 TYR CA C 95 53.889 53.889 57.145 -3.256 19012 6340 1 14 . 1 1 95 95 TYR CB C 95 39.733 39.733 42.847 -3.114 19012 6341 1 14 . 1 1 95 95 TYR H H 95 10.060 10.060 8.660 1.400 19012 6342 1 14 . 1 1 96 96 LYS N N 96 119.487 119.487 121.091 -1.604 19012 6343 1 14 . 1 1 96 96 LYS HA H 96 5.668 5.668 5.604 0.064 19012 6344 1 14 . 1 1 96 96 LYS CA C 96 50.781 50.781 53.946 -3.165 19012 6345 1 14 . 1 1 96 96 LYS CB C 96 31.840 31.840 36.577 -4.737 19012 6346 1 14 . 1 1 96 96 LYS H H 96 8.960 8.960 9.458 -0.498 19012 6347 1 14 . 1 1 97 97 LYS N N 97 128.866 128.866 125.617 3.249 19012 6348 1 14 . 1 1 97 97 LYS HA H 97 3.701 3.701 3.668 0.033 19012 6349 1 14 . 1 1 97 97 LYS CA C 97 55.022 55.022 57.261 -2.239 19012 6350 1 14 . 1 1 97 97 LYS CB C 97 30.744 30.744 32.504 -1.760 19012 6351 1 14 . 1 1 97 97 LYS H H 97 8.729 8.729 8.706 0.023 19012 6352 1 14 . 1 1 98 98 GLN N N 98 127.056 127.056 121.860 5.196 19012 6353 1 14 . 1 1 98 98 GLN HA H 98 4.244 4.244 4.403 -0.159 19012 6354 1 14 . 1 1 98 98 GLN CA C 98 52.689 52.689 54.559 -1.870 19012 6355 1 14 . 1 1 98 98 GLN CB C 98 28.065 28.065 29.484 -1.419 19012 6356 1 14 . 1 1 98 98 GLN H H 98 8.992 8.992 8.524 0.468 19012 6357 1 15 . 1 1 2 2 GLU N N 2 119.968 119.968 121.644 -1.676 19012 6358 1 15 . 1 1 2 2 GLU HA H 2 4.009 4.009 4.592 -0.583 19012 6359 1 15 . 1 1 2 2 GLU CA C 2 53.190 53.190 55.876 -2.686 19012 6360 1 15 . 1 1 2 2 GLU CB C 2 27.574 27.574 32.848 -5.274 19012 6361 1 15 . 1 1 2 2 GLU H H 2 8.212 8.212 8.399 -0.187 19012 6362 1 15 . 1 1 3 3 ASP N N 3 122.057 122.057 122.510 -0.453 19012 6363 1 15 . 1 1 3 3 ASP HA H 3 4.509 4.509 4.964 -0.455 19012 6364 1 15 . 1 1 3 3 ASP CA C 3 50.691 50.691 53.672 -2.981 19012 6365 1 15 . 1 1 3 3 ASP CB C 3 38.121 38.121 41.153 -3.032 19012 6366 1 15 . 1 1 3 3 ASP H H 3 8.209 8.209 8.492 -0.283 19012 6367 1 15 . 1 1 4 4 TRP N N 4 121.397 121.397 122.615 -1.218 19012 6368 1 15 . 1 1 4 4 TRP HA H 4 4.749 4.749 5.034 -0.285 19012 6369 1 15 . 1 1 4 4 TRP CA C 4 53.792 53.792 56.393 -2.601 19012 6370 1 15 . 1 1 4 4 TRP CB C 4 27.994 27.994 30.982 -2.988 19012 6371 1 15 . 1 1 4 4 TRP H H 4 7.614 7.614 8.414 -0.800 19012 6372 1 15 . 1 1 5 5 THR N N 5 117.669 117.669 115.907 1.762 19012 6373 1 15 . 1 1 5 5 THR HA H 5 4.733 4.733 4.441 0.292 19012 6374 1 15 . 1 1 5 5 THR CA C 5 57.170 57.170 61.748 -4.578 19012 6375 1 15 . 1 1 5 5 THR CB C 5 68.444 68.444 69.489 -1.045 19012 6376 1 15 . 1 1 5 5 THR H H 5 9.387 9.387 8.781 0.606 19012 6377 1 15 . 1 1 6 6 GLU N N 6 121.359 121.359 120.589 0.770 19012 6378 1 15 . 1 1 6 6 GLU HA H 6 4.283 4.283 4.250 0.033 19012 6379 1 15 . 1 1 6 6 GLU CA C 6 53.743 53.743 56.740 -2.997 19012 6380 1 15 . 1 1 6 6 GLU CB C 6 28.184 28.184 29.978 -1.794 19012 6381 1 15 . 1 1 6 6 GLU H H 6 8.027 8.027 8.550 -0.523 19012 6382 1 15 . 1 1 7 7 LEU N N 7 126.701 126.701 125.379 1.322 19012 6383 1 15 . 1 1 7 7 LEU HA H 7 4.217 4.217 4.200 0.017 19012 6384 1 15 . 1 1 7 7 LEU CA C 7 52.720 52.720 56.126 -3.406 19012 6385 1 15 . 1 1 7 7 LEU CB C 7 40.595 40.595 42.489 -1.894 19012 6386 1 15 . 1 1 7 7 LEU H H 7 8.626 8.626 8.437 0.189 19012 6387 1 15 . 1 1 8 8 ASN N N 8 121.528 121.528 120.496 1.032 19012 6388 1 15 . 1 1 8 8 ASN HA H 8 4.611 4.611 4.971 -0.360 19012 6389 1 15 . 1 1 8 8 ASN CA C 8 49.652 49.652 51.840 -2.188 19012 6390 1 15 . 1 1 8 8 ASN CB C 8 38.102 38.102 41.379 -3.277 19012 6391 1 15 . 1 1 8 8 ASN H H 8 9.218 9.218 7.960 1.258 19012 6392 1 15 . 1 1 9 9 SER N N 9 109.319 109.319 116.406 -7.087 19012 6393 1 15 . 1 1 9 9 SER HA H 9 4.045 4.045 4.257 -0.212 19012 6394 1 15 . 1 1 9 9 SER CA C 9 58.381 58.381 62.144 -3.763 19012 6395 1 15 . 1 1 9 9 SER CB C 9 60.521 60.521 63.458 -2.937 19012 6396 1 15 . 1 1 9 9 SER H H 9 8.268 8.268 8.981 -0.713 19012 6397 1 15 . 1 1 10 10 ASN N N 10 117.403 117.403 116.579 0.824 19012 6398 1 15 . 1 1 10 10 ASN HA H 10 4.872 4.872 4.648 0.224 19012 6399 1 15 . 1 1 10 10 ASN CA C 10 52.508 52.508 55.307 -2.800 19012 6400 1 15 . 1 1 10 10 ASN CB C 10 37.905 37.905 38.099 -0.194 19012 6401 1 15 . 1 1 10 10 ASN H H 10 8.610 8.610 8.793 -0.183 19012 6402 1 15 . 1 1 11 11 ASN N N 11 119.053 119.053 116.897 2.156 19012 6403 1 15 . 1 1 11 11 ASN HA H 11 4.396 4.396 4.770 -0.374 19012 6404 1 15 . 1 1 11 11 ASN CA C 11 51.832 51.832 54.390 -2.558 19012 6405 1 15 . 1 1 11 11 ASN CB C 11 34.355 34.355 39.351 -4.996 19012 6406 1 15 . 1 1 11 11 ASN H H 11 8.614 8.614 7.774 0.840 19012 6407 1 15 . 1 1 12 12 ILE N N 12 117.943 117.943 119.099 -1.156 19012 6408 1 15 . 1 1 12 12 ILE HA H 12 4.185 4.185 4.167 0.018 19012 6409 1 15 . 1 1 12 12 ILE CA C 12 55.309 55.309 60.025 -4.716 19012 6410 1 15 . 1 1 12 12 ILE CB C 12 36.651 36.651 38.303 -1.652 19012 6411 1 15 . 1 1 12 12 ILE H H 12 7.041 7.041 7.405 -0.364 19012 6412 1 15 . 1 1 13 13 ILE N N 13 118.354 118.354 121.661 -3.307 19012 6413 1 15 . 1 1 13 13 ILE HA H 13 3.800 3.800 4.287 -0.487 19012 6414 1 15 . 1 1 13 13 ILE CA C 13 58.469 58.469 60.606 -2.137 19012 6415 1 15 . 1 1 13 13 ILE CB C 13 34.584 34.584 34.910 -0.326 19012 6416 1 15 . 1 1 13 13 ILE H H 13 6.635 6.635 7.560 -0.925 19012 6417 1 15 . 1 1 14 14 GLY N N 14 114.150 114.150 114.483 -0.333 19012 6418 1 15 . 1 1 14 14 GLY CA C 14 41.496 41.496 44.862 -3.366 19012 6419 1 15 . 1 1 14 14 GLY H H 14 8.842 8.842 7.875 0.967 19012 6420 1 15 . 1 1 15 15 TYR N N 15 119.014 119.014 118.441 0.573 19012 6421 1 15 . 1 1 15 15 TYR HA H 15 4.961 4.961 5.217 -0.256 19012 6422 1 15 . 1 1 15 15 TYR CA C 15 54.499 54.499 57.773 -3.274 19012 6423 1 15 . 1 1 15 15 TYR CB C 15 38.075 38.075 40.382 -2.307 19012 6424 1 15 . 1 1 15 15 TYR H H 15 8.264 8.264 8.421 -0.157 19012 6425 1 15 . 1 1 16 16 TRP N N 16 124.101 124.101 121.340 2.761 19012 6426 1 15 . 1 1 16 16 TRP HA H 16 5.175 5.175 5.347 -0.172 19012 6427 1 15 . 1 1 16 16 TRP CA C 16 52.970 52.970 56.528 -3.558 19012 6428 1 15 . 1 1 16 16 TRP CB C 16 28.341 28.341 32.428 -4.087 19012 6429 1 15 . 1 1 16 16 TRP H H 16 9.497 9.497 9.183 0.314 19012 6430 1 15 . 1 1 17 17 SER N N 17 115.863 115.863 117.003 -1.140 19012 6431 1 15 . 1 1 17 17 SER HA H 17 6.272 6.272 5.591 0.681 19012 6432 1 15 . 1 1 17 17 SER CA C 17 53.039 53.039 56.167 -3.128 19012 6433 1 15 . 1 1 17 17 SER CB C 17 63.415 63.415 65.609 -2.194 19012 6434 1 15 . 1 1 17 17 SER H H 17 9.182 9.182 9.026 0.156 19012 6435 1 15 . 1 1 18 18 THR N N 18 119.520 119.520 116.087 3.433 19012 6436 1 15 . 1 1 18 18 THR CB C 18 67.199 67.199 68.858 -1.659 19012 6437 1 15 . 1 1 18 18 THR H H 18 8.996 8.996 8.884 0.112 19012 6438 1 15 . 1 1 19 19 GLY N N 19 110.006 110.006 110.341 -0.335 19012 6439 1 15 . 1 1 19 19 GLY CA C 19 42.615 42.615 45.216 -2.601 19012 6440 1 15 . 1 1 19 19 GLY H H 19 8.206 8.206 7.421 0.785 19012 6441 1 15 . 1 1 20 20 ILE N N 20 111.313 111.313 112.725 -1.412 19012 6442 1 15 . 1 1 20 20 ILE HA H 20 3.519 3.519 4.154 -0.635 19012 6443 1 15 . 1 1 20 20 ILE CA C 20 57.765 57.765 60.764 -2.999 19012 6444 1 15 . 1 1 20 20 ILE CB C 20 37.839 37.839 39.907 -2.068 19012 6445 1 15 . 1 1 20 20 ILE H H 20 7.953 7.953 8.151 -0.198 19012 6446 1 15 . 1 1 21 21 GLU N N 21 119.547 119.547 121.734 -2.187 19012 6447 1 15 . 1 1 21 21 GLU HA H 21 4.463 4.463 4.294 0.169 19012 6448 1 15 . 1 1 21 21 GLU CA C 21 52.227 52.227 57.813 -5.586 19012 6449 1 15 . 1 1 21 21 GLU CB C 21 29.468 29.468 29.850 -0.382 19012 6450 1 15 . 1 1 21 21 GLU H H 21 7.514 7.514 8.099 -0.585 19012 6451 1 15 . 1 1 22 22 GLY N N 22 109.534 109.534 111.211 -1.677 19012 6452 1 15 . 1 1 22 22 GLY CA C 22 43.582 43.582 45.519 -1.937 19012 6453 1 15 . 1 1 22 22 GLY H H 22 8.457 8.457 8.649 -0.193 19012 6454 1 15 . 1 1 23 23 THR N N 23 124.632 124.632 120.283 4.349 19012 6455 1 15 . 1 1 23 23 THR HA H 23 5.271 5.271 5.177 0.094 19012 6456 1 15 . 1 1 23 23 THR CA C 23 60.060 60.060 61.165 -1.105 19012 6457 1 15 . 1 1 23 23 THR CB C 23 65.680 65.680 70.655 -4.975 19012 6458 1 15 . 1 1 23 23 THR H H 23 8.881 8.881 8.342 0.539 19012 6459 1 15 . 1 1 24 24 HIS N N 24 122.881 122.881 122.945 -0.064 19012 6460 1 15 . 1 1 24 24 HIS HA H 24 4.780 4.780 5.078 -0.298 19012 6461 1 15 . 1 1 24 24 HIS CA C 24 50.970 50.970 53.782 -2.812 19012 6462 1 15 . 1 1 24 24 HIS CB C 24 27.898 27.898 32.174 -4.276 19012 6463 1 15 . 1 1 24 24 HIS H H 24 8.919 8.919 8.766 0.153 19012 6464 1 15 . 1 1 25 25 LYS N N 25 119.738 119.738 119.906 -0.168 19012 6465 1 15 . 1 1 25 25 LYS HA H 25 5.437 5.437 5.189 0.248 19012 6466 1 15 . 1 1 25 25 LYS CA C 25 52.650 52.650 55.408 -2.758 19012 6467 1 15 . 1 1 25 25 LYS CB C 25 33.277 33.277 35.669 -2.393 19012 6468 1 15 . 1 1 25 25 LYS H H 25 8.816 8.816 8.904 -0.088 19012 6469 1 15 . 1 1 26 26 LEU N N 26 126.017 126.017 123.301 2.716 19012 6470 1 15 . 1 1 26 26 LEU HA H 26 5.825 5.825 5.653 0.172 19012 6471 1 15 . 1 1 26 26 LEU CA C 26 51.614 51.614 53.109 -1.495 19012 6472 1 15 . 1 1 26 26 LEU CB C 26 44.544 44.544 46.486 -1.942 19012 6473 1 15 . 1 1 26 26 LEU H H 26 9.420 9.420 9.010 0.410 19012 6474 1 15 . 1 1 27 27 LEU N N 27 128.825 128.825 123.124 5.701 19012 6475 1 15 . 1 1 27 27 LEU HA H 27 5.417 5.417 5.349 0.068 19012 6476 1 15 . 1 1 27 27 LEU CA C 27 50.740 50.740 53.468 -2.728 19012 6477 1 15 . 1 1 27 27 LEU CB C 27 44.569 44.569 46.676 -2.107 19012 6478 1 15 . 1 1 27 27 LEU H H 27 9.475 9.475 8.452 1.023 19012 6479 1 15 . 1 1 28 28 SER N N 28 117.701 117.701 114.391 3.310 19012 6480 1 15 . 1 1 28 28 SER HA H 28 5.337 5.337 4.927 0.410 19012 6481 1 15 . 1 1 28 28 SER CA C 28 53.530 53.530 57.697 -4.167 19012 6482 1 15 . 1 1 28 28 SER CB C 28 63.368 63.368 63.628 -0.260 19012 6483 1 15 . 1 1 28 28 SER H H 28 8.859 8.859 8.141 0.718 19012 6484 1 15 . 1 1 29 29 PHE N N 29 117.319 117.319 124.703 -7.384 19012 6485 1 15 . 1 1 29 29 PHE HA H 29 4.679 4.679 4.668 0.011 19012 6486 1 15 . 1 1 29 29 PHE CA C 29 54.565 54.565 58.331 -3.766 19012 6487 1 15 . 1 1 29 29 PHE CB C 29 39.104 39.104 40.477 -1.373 19012 6488 1 15 . 1 1 29 29 PHE H H 29 8.401 8.401 8.736 -0.335 19012 6489 1 15 . 1 1 30 30 ASP N N 30 123.741 123.741 123.643 0.098 19012 6490 1 15 . 1 1 30 30 ASP HA H 30 5.217 5.217 4.774 0.443 19012 6491 1 15 . 1 1 30 30 ASP CA C 30 50.408 50.408 52.244 -1.836 19012 6492 1 15 . 1 1 30 30 ASP CB C 30 41.148 41.148 42.471 -1.323 19012 6493 1 15 . 1 1 30 30 ASP H H 30 9.573 9.573 8.552 1.021 19012 6494 1 15 . 1 1 31 31 GLU N N 31 127.123 127.123 118.914 8.209 19012 6495 1 15 . 1 1 31 31 GLU HA H 31 4.127 4.127 4.461 -0.334 19012 6496 1 15 . 1 1 31 31 GLU CA C 31 56.324 56.324 57.106 -0.782 19012 6497 1 15 . 1 1 31 31 GLU CB C 31 27.283 27.283 30.319 -3.036 19012 6498 1 15 . 1 1 31 31 GLU H H 31 9.718 9.718 8.840 0.878 19012 6499 1 15 . 1 1 32 32 ASP N N 32 119.011 119.011 117.210 1.801 19012 6500 1 15 . 1 1 32 32 ASP HA H 32 4.443 4.443 4.819 -0.376 19012 6501 1 15 . 1 1 32 32 ASP CA C 32 50.919 50.919 53.915 -2.996 19012 6502 1 15 . 1 1 32 32 ASP CB C 32 37.344 37.344 41.822 -4.478 19012 6503 1 15 . 1 1 32 32 ASP H H 32 8.911 8.911 8.246 0.665 19012 6504 1 15 . 1 1 33 33 GLY N N 33 106.215 106.215 108.536 -2.321 19012 6505 1 15 . 1 1 33 33 GLY CA C 33 43.879 43.879 45.491 -1.612 19012 6506 1 15 . 1 1 33 33 GLY H H 33 7.781 7.781 7.761 0.020 19012 6507 1 15 . 1 1 34 34 THR N N 34 111.570 111.570 114.663 -3.093 19012 6508 1 15 . 1 1 34 34 THR HA H 34 5.474 5.474 4.568 0.906 19012 6509 1 15 . 1 1 34 34 THR CA C 34 57.389 57.389 60.708 -3.319 19012 6510 1 15 . 1 1 34 34 THR CB C 34 69.991 69.991 71.747 -1.756 19012 6511 1 15 . 1 1 34 34 THR H H 34 7.863 7.863 8.874 -1.011 19012 6512 1 15 . 1 1 35 35 GLY N N 35 106.781 106.781 111.243 -4.462 19012 6513 1 15 . 1 1 35 35 GLY CA C 35 43.233 43.233 44.070 -0.837 19012 6514 1 15 . 1 1 35 35 GLY H H 35 8.235 8.235 8.433 -0.198 19012 6515 1 15 . 1 1 36 36 SER N N 36 113.807 113.807 112.259 1.548 19012 6516 1 15 . 1 1 36 36 SER HA H 36 4.659 4.659 4.573 0.086 19012 6517 1 15 . 1 1 36 36 SER CA C 36 54.509 54.509 56.996 -2.487 19012 6518 1 15 . 1 1 36 36 SER CB C 36 64.821 64.821 67.190 -2.369 19012 6519 1 15 . 1 1 36 36 SER H H 36 8.182 8.182 6.917 1.265 19012 6520 1 15 . 1 1 37 37 PHE N N 37 120.041 120.041 122.311 -2.270 19012 6521 1 15 . 1 1 37 37 PHE HA H 37 5.885 5.885 5.202 0.683 19012 6522 1 15 . 1 1 37 37 PHE CA C 37 52.308 52.308 56.151 -3.843 19012 6523 1 15 . 1 1 37 37 PHE CB C 37 41.174 41.174 43.002 -1.827 19012 6524 1 15 . 1 1 37 37 PHE H H 37 8.829 8.829 8.517 0.312 19012 6525 1 15 . 1 1 38 38 GLY N N 38 115.263 115.263 113.940 1.323 19012 6526 1 15 . 1 1 38 38 GLY CA C 38 42.092 42.092 43.117 -1.025 19012 6527 1 15 . 1 1 38 38 GLY H H 38 8.936 8.936 9.071 -0.135 19012 6528 1 15 . 1 1 39 39 ILE N N 39 119.791 119.791 119.898 -0.107 19012 6529 1 15 . 1 1 39 39 ILE HA H 39 4.292 4.292 4.787 -0.495 19012 6530 1 15 . 1 1 39 39 ILE CA C 39 58.280 58.280 60.386 -2.106 19012 6531 1 15 . 1 1 39 39 ILE CB C 39 36.838 36.838 41.857 -5.019 19012 6532 1 15 . 1 1 39 39 ILE H H 39 7.724 7.724 7.849 -0.125 19012 6533 1 15 . 1 1 40 40 TYR N N 40 125.748 125.748 125.545 0.203 19012 6534 1 15 . 1 1 40 40 TYR HA H 40 4.742 4.742 5.028 -0.286 19012 6535 1 15 . 1 1 40 40 TYR CA C 40 53.881 53.881 56.261 -2.380 19012 6536 1 15 . 1 1 40 40 TYR CB C 40 39.894 39.894 41.351 -1.457 19012 6537 1 15 . 1 1 40 40 TYR H H 40 8.782 8.782 9.078 -0.296 19012 6538 1 15 . 1 1 41 41 SER N N 41 114.721 114.721 120.108 -5.387 19012 6539 1 15 . 1 1 41 41 SER HA H 41 4.689 4.689 4.589 0.100 19012 6540 1 15 . 1 1 41 41 SER CA C 41 53.337 53.337 59.149 -5.812 19012 6541 1 15 . 1 1 41 41 SER CB C 41 60.205 60.205 63.346 -3.140 19012 6542 1 15 . 1 1 41 41 SER H H 41 8.708 8.708 8.837 -0.129 19012 6543 1 15 . 1 1 42 42 ASN N N 42 124.063 124.063 125.588 -1.525 19012 6544 1 15 . 1 1 42 42 ASN HA H 42 4.298 4.298 4.409 -0.111 19012 6545 1 15 . 1 1 42 42 ASN CA C 42 54.083 54.083 56.707 -2.624 19012 6546 1 15 . 1 1 42 42 ASN CB C 42 34.720 34.720 37.727 -3.007 19012 6547 1 15 . 1 1 42 42 ASN H H 42 9.239 9.239 9.129 0.110 19012 6548 1 15 . 1 1 43 43 ALA N N 43 125.505 125.505 120.069 5.436 19012 6549 1 15 . 1 1 43 43 ALA HA H 43 4.576 4.576 4.831 -0.255 19012 6550 1 15 . 1 1 43 43 ALA CA C 43 50.170 50.170 51.866 -1.696 19012 6551 1 15 . 1 1 43 43 ALA CB C 43 16.678 16.678 20.909 -4.231 19012 6552 1 15 . 1 1 43 43 ALA H H 43 8.468 8.468 8.036 0.432 19012 6553 1 15 . 1 1 44 44 THR N N 44 119.056 119.056 119.563 -0.507 19012 6554 1 15 . 1 1 44 44 THR HA H 44 4.550 4.550 4.802 -0.252 19012 6555 1 15 . 1 1 44 44 THR CA C 44 58.028 58.028 61.112 -3.084 19012 6556 1 15 . 1 1 44 44 THR CB C 44 68.176 68.176 69.022 -0.846 19012 6557 1 15 . 1 1 44 44 THR H H 44 8.420 8.420 8.116 0.304 19012 6558 1 15 . 1 1 45 45 PRO HA H 45 3.797 3.797 3.677 0.120 19012 6559 1 15 . 1 1 45 45 PRO CA C 45 60.280 60.280 62.988 -2.708 19012 6560 1 15 . 1 1 45 45 PRO CB C 45 28.488 28.488 32.104 -3.616 19012 6561 1 15 . 1 1 46 46 ILE N N 46 124.607 124.607 121.081 3.526 19012 6562 1 15 . 1 1 46 46 ILE HA H 46 4.023 4.023 4.345 -0.322 19012 6563 1 15 . 1 1 46 46 ILE CA C 46 58.609 58.609 60.947 -2.338 19012 6564 1 15 . 1 1 46 46 ILE CB C 46 35.652 35.652 39.069 -3.417 19012 6565 1 15 . 1 1 46 46 ILE H H 46 8.998 8.998 8.598 0.400 19012 6566 1 15 . 1 1 47 47 SER N N 47 112.826 112.826 115.409 -2.583 19012 6567 1 15 . 1 1 47 47 SER HA H 47 4.474 4.474 4.644 -0.170 19012 6568 1 15 . 1 1 47 47 SER CA C 47 54.926 54.926 57.154 -2.228 19012 6569 1 15 . 1 1 47 47 SER CB C 47 62.419 62.419 65.007 -2.588 19012 6570 1 15 . 1 1 47 47 SER H H 47 7.439 7.439 7.680 -0.241 19012 6571 1 15 . 1 1 48 48 PHE N N 48 123.266 123.266 121.630 1.636 19012 6572 1 15 . 1 1 48 48 PHE HA H 48 5.194 5.194 5.098 0.096 19012 6573 1 15 . 1 1 48 48 PHE CA C 48 55.624 55.624 57.427 -1.803 19012 6574 1 15 . 1 1 48 48 PHE CB C 48 40.000 40.000 42.506 -2.506 19012 6575 1 15 . 1 1 48 48 PHE H H 48 8.238 8.238 8.370 -0.132 19012 6576 1 15 . 1 1 49 49 GLN N N 49 123.564 123.564 120.589 2.975 19012 6577 1 15 . 1 1 49 49 GLN HA H 49 4.935 4.935 4.415 0.520 19012 6578 1 15 . 1 1 49 49 GLN CA C 49 51.294 51.294 54.604 -3.310 19012 6579 1 15 . 1 1 49 49 GLN CB C 49 29.688 29.688 32.116 -2.428 19012 6580 1 15 . 1 1 49 49 GLN H H 49 8.607 8.607 7.458 1.149 19012 6581 1 15 . 1 1 50 50 MET N N 50 120.626 120.626 117.856 2.770 19012 6582 1 15 . 1 1 50 50 MET HA H 50 4.637 4.637 5.207 -0.570 19012 6583 1 15 . 1 1 50 50 MET CA C 50 51.562 51.562 54.294 -2.732 19012 6584 1 15 . 1 1 50 50 MET CB C 50 33.549 33.549 37.897 -4.348 19012 6585 1 15 . 1 1 50 50 MET H H 50 9.071 9.071 8.419 0.652 19012 6586 1 15 . 1 1 51 51 PHE N N 51 112.996 112.996 114.632 -1.636 19012 6587 1 15 . 1 1 51 51 PHE HA H 51 4.928 4.928 4.954 -0.026 19012 6588 1 15 . 1 1 51 51 PHE CA C 51 53.899 53.899 56.978 -3.079 19012 6589 1 15 . 1 1 51 51 PHE CB C 51 38.018 38.018 40.519 -2.501 19012 6590 1 15 . 1 1 52 52 ASP N N 52 118.727 118.727 120.874 -2.147 19012 6591 1 15 . 1 1 52 52 ASP HA H 52 5.640 5.640 4.655 0.985 19012 6592 1 15 . 1 1 52 52 ASP CA C 52 50.264 50.264 56.103 -5.839 19012 6593 1 15 . 1 1 52 52 ASP CB C 52 38.971 38.971 42.352 -3.381 19012 6594 1 15 . 1 1 52 52 ASP H H 52 8.469 8.469 8.197 0.272 19012 6595 1 15 . 1 1 53 53 TYR N N 53 115.709 115.709 115.332 0.377 19012 6596 1 15 . 1 1 53 53 TYR HA H 53 6.351 6.351 5.738 0.613 19012 6597 1 15 . 1 1 53 53 TYR CA C 53 53.296 53.296 55.811 -2.515 19012 6598 1 15 . 1 1 53 53 TYR CB C 53 40.764 40.764 41.698 -0.934 19012 6599 1 15 . 1 1 53 53 TYR H H 53 8.725 8.725 8.045 0.680 19012 6600 1 15 . 1 1 54 54 LYS N N 54 118.766 118.766 119.009 -0.243 19012 6601 1 15 . 1 1 54 54 LYS HA H 54 4.445 4.445 4.659 -0.214 19012 6602 1 15 . 1 1 54 54 LYS CA C 54 52.187 52.187 54.905 -2.718 19012 6603 1 15 . 1 1 54 54 LYS CB C 54 34.819 34.819 37.180 -2.361 19012 6604 1 15 . 1 1 54 54 LYS H H 54 8.972 8.972 8.832 0.140 19012 6605 1 15 . 1 1 55 55 ILE N N 55 122.406 122.406 122.991 -0.585 19012 6606 1 15 . 1 1 55 55 ILE HA H 55 4.796 4.796 5.021 -0.225 19012 6607 1 15 . 1 1 55 55 ILE CA C 55 56.172 56.172 60.145 -3.974 19012 6608 1 15 . 1 1 55 55 ILE CB C 55 33.404 33.404 36.887 -3.483 19012 6609 1 15 . 1 1 55 55 ILE H H 55 8.832 8.832 8.717 0.115 19012 6610 1 15 . 1 1 56 56 GLU N N 56 128.507 128.507 125.776 2.731 19012 6611 1 15 . 1 1 56 56 GLU HA H 56 4.575 4.575 4.568 0.007 19012 6612 1 15 . 1 1 56 56 GLU CA C 56 52.300 52.300 56.083 -3.783 19012 6613 1 15 . 1 1 56 56 GLU CB C 56 30.432 30.432 31.037 -0.605 19012 6614 1 15 . 1 1 56 56 GLU H H 56 8.787 8.787 8.856 -0.069 19012 6615 1 15 . 1 1 57 57 GLU N N 57 125.606 125.606 118.375 7.231 19012 6616 1 15 . 1 1 57 57 GLU HA H 57 3.809 3.809 4.573 -0.764 19012 6617 1 15 . 1 1 57 57 GLU CA C 57 54.254 54.254 56.596 -2.342 19012 6618 1 15 . 1 1 57 57 GLU CB C 57 25.445 25.445 30.457 -5.012 19012 6619 1 15 . 1 1 57 57 GLU H H 57 9.296 9.296 8.457 0.839 19012 6620 1 15 . 1 1 58 58 GLY N N 58 103.913 103.913 108.383 -4.470 19012 6621 1 15 . 1 1 58 58 GLY CA C 58 43.401 43.401 45.862 -2.461 19012 6622 1 15 . 1 1 58 58 GLY H H 58 8.267 8.267 8.773 -0.506 19012 6623 1 15 . 1 1 59 59 ARG N N 59 119.125 119.125 117.454 1.671 19012 6624 1 15 . 1 1 59 59 ARG HA H 59 4.787 4.787 5.064 -0.277 19012 6625 1 15 . 1 1 59 59 ARG CA C 59 51.812 51.812 53.078 -1.266 19012 6626 1 15 . 1 1 59 59 ARG CB C 59 32.023 32.023 32.991 -0.968 19012 6627 1 15 . 1 1 59 59 ARG H H 59 7.840 7.840 7.557 0.283 19012 6628 1 15 . 1 1 60 60 ILE N N 60 118.464 118.464 121.228 -2.764 19012 6629 1 15 . 1 1 60 60 ILE HA H 60 4.409 4.409 4.514 -0.105 19012 6630 1 15 . 1 1 60 60 ILE CA C 60 58.461 58.461 61.439 -2.978 19012 6631 1 15 . 1 1 60 60 ILE CB C 60 36.943 36.943 37.894 -0.951 19012 6632 1 15 . 1 1 60 60 ILE H H 60 8.150 8.150 8.830 -0.680 19012 6633 1 15 . 1 1 61 61 TYR N N 61 130.267 130.267 130.772 -0.505 19012 6634 1 15 . 1 1 61 61 TYR HA H 61 4.399 4.399 4.425 -0.026 19012 6635 1 15 . 1 1 61 61 TYR CA C 61 53.435 53.435 56.970 -3.535 19012 6636 1 15 . 1 1 61 61 TYR CB C 61 37.443 37.443 38.651 -1.208 19012 6637 1 15 . 1 1 61 61 TYR H H 61 9.304 9.304 9.061 0.243 19012 6638 1 15 . 1 1 62 62 ILE N N 62 129.152 129.152 127.587 1.565 19012 6639 1 15 . 1 1 62 62 ILE HA H 62 4.035 4.035 4.203 -0.168 19012 6640 1 15 . 1 1 62 62 ILE CA C 62 55.538 55.538 58.263 -2.725 19012 6641 1 15 . 1 1 62 62 ILE CB C 62 33.654 33.654 37.833 -4.179 19012 6642 1 15 . 1 1 62 62 ILE H H 62 8.326 8.326 8.500 -0.174 19012 6643 1 15 . 1 1 63 63 TYR N N 63 119.836 119.836 120.269 -0.433 19012 6644 1 15 . 1 1 63 63 TYR HA H 63 4.563 4.563 4.515 0.048 19012 6645 1 15 . 1 1 63 63 TYR CA C 63 52.035 52.035 56.626 -4.591 19012 6646 1 15 . 1 1 63 63 TYR CB C 63 36.267 36.267 40.086 -3.819 19012 6647 1 15 . 1 1 63 63 TYR H H 63 8.397 8.397 8.094 0.303 19012 6648 1 15 . 1 1 64 64 ASP N N 64 117.747 117.747 121.304 -3.557 19012 6649 1 15 . 1 1 64 64 ASP HA H 64 4.270 4.270 4.720 -0.450 19012 6650 1 15 . 1 1 64 64 ASP CA C 64 51.384 51.384 53.941 -2.557 19012 6651 1 15 . 1 1 64 64 ASP CB C 64 35.510 35.510 43.335 -7.825 19012 6652 1 15 . 1 1 64 64 ASP H H 64 8.570 8.570 7.831 0.739 19012 6653 1 15 . 1 1 65 65 VAL N N 65 117.619 117.619 121.909 -4.290 19012 6654 1 15 . 1 1 65 65 VAL HA H 65 4.329 4.329 4.797 -0.468 19012 6655 1 15 . 1 1 65 65 VAL CA C 65 61.015 61.015 60.445 0.570 19012 6656 1 15 . 1 1 65 65 VAL CB C 65 29.350 29.350 35.402 -6.052 19012 6657 1 15 . 1 1 65 65 VAL H H 65 8.116 8.116 8.151 -0.035 19012 6658 1 15 . 1 1 66 66 TYR N N 66 127.317 127.317 124.132 3.185 19012 6659 1 15 . 1 1 66 66 TYR HA H 66 4.567 4.567 5.060 -0.493 19012 6660 1 15 . 1 1 66 66 TYR CA C 66 53.116 53.116 55.938 -2.822 19012 6661 1 15 . 1 1 66 66 TYR CB C 66 39.090 39.090 40.671 -1.581 19012 6662 1 15 . 1 1 66 66 TYR H H 66 8.911 8.911 8.401 0.510 19012 6663 1 15 . 1 1 67 67 PRO HA H 67 3.778 3.778 4.441 -0.663 19012 6664 1 15 . 1 1 67 67 PRO CA C 67 60.736 60.736 63.819 -3.083 19012 6665 1 15 . 1 1 67 67 PRO CB C 67 32.039 32.039 31.756 0.283 19012 6666 1 15 . 1 1 68 68 ASP N N 68 122.446 122.446 119.998 2.448 19012 6667 1 15 . 1 1 68 68 ASP HA H 68 4.595 4.595 4.805 -0.210 19012 6668 1 15 . 1 1 68 68 ASP CA C 68 51.405 51.405 53.112 -1.707 19012 6669 1 15 . 1 1 68 68 ASP CB C 68 37.732 37.732 41.677 -3.945 19012 6670 1 15 . 1 1 68 68 ASP H H 68 8.017 8.017 7.817 0.200 19012 6671 1 15 . 1 1 69 69 GLU N N 69 121.842 121.842 121.036 0.806 19012 6672 1 15 . 1 1 69 69 GLU HA H 69 4.167 4.167 4.318 -0.151 19012 6673 1 15 . 1 1 69 69 GLU CA C 69 54.191 54.191 56.597 -2.406 19012 6674 1 15 . 1 1 69 69 GLU CB C 69 27.200 27.200 30.474 -3.274 19012 6675 1 15 . 1 1 69 69 GLU H H 69 8.109 8.109 8.548 -0.439 19012 6676 1 15 . 1 1 70 70 LYS N N 70 121.975 121.975 121.827 0.148 19012 6677 1 15 . 1 1 70 70 LYS HA H 70 4.532 4.532 4.467 0.065 19012 6678 1 15 . 1 1 70 70 LYS CA C 70 52.097 52.097 54.585 -2.488 19012 6679 1 15 . 1 1 70 70 LYS CB C 70 33.247 33.247 33.983 -0.736 19012 6680 1 15 . 1 1 70 70 LYS H H 70 7.646 7.646 8.348 -0.702 19012 6681 1 15 . 1 1 71 71 THR N N 71 120.177 120.177 117.859 2.318 19012 6682 1 15 . 1 1 71 71 THR HA H 71 4.386 4.386 4.302 0.084 19012 6683 1 15 . 1 1 71 71 THR CA C 71 58.759 58.759 61.208 -2.449 19012 6684 1 15 . 1 1 71 71 THR CB C 71 66.724 66.724 69.226 -2.502 19012 6685 1 15 . 1 1 71 71 THR H H 71 8.258 8.258 8.424 -0.166 19012 6686 1 15 . 1 1 72 72 PRO HA H 72 4.389 4.389 4.241 0.148 19012 6687 1 15 . 1 1 72 72 PRO CA C 72 61.688 61.688 62.888 -1.200 19012 6688 1 15 . 1 1 72 72 PRO CB C 72 31.440 31.440 32.287 -0.847 19012 6689 1 15 . 1 1 73 73 TYR N N 73 118.747 118.747 116.304 2.443 19012 6690 1 15 . 1 1 73 73 TYR HA H 73 4.857 4.857 4.799 0.058 19012 6691 1 15 . 1 1 73 73 TYR CA C 73 52.643 52.643 56.074 -3.431 19012 6692 1 15 . 1 1 73 73 TYR CB C 73 37.470 37.470 39.542 -2.072 19012 6693 1 15 . 1 1 73 73 TYR H H 73 7.988 7.988 7.790 0.198 19012 6694 1 15 . 1 1 74 74 TYR N N 74 114.692 114.692 120.564 -5.872 19012 6695 1 15 . 1 1 74 74 TYR HA H 74 5.548 5.548 5.628 -0.080 19012 6696 1 15 . 1 1 74 74 TYR CA C 74 53.855 53.855 57.465 -3.610 19012 6697 1 15 . 1 1 74 74 TYR CB C 74 39.316 39.316 40.451 -1.135 19012 6698 1 15 . 1 1 74 74 TYR H H 74 8.370 8.370 8.637 -0.267 19012 6699 1 15 . 1 1 75 75 LEU N N 75 120.717 120.717 125.385 -4.668 19012 6700 1 15 . 1 1 75 75 LEU HA H 75 4.456 4.456 4.677 -0.221 19012 6701 1 15 . 1 1 75 75 LEU CA C 75 50.648 50.648 53.494 -2.846 19012 6702 1 15 . 1 1 75 75 LEU CB C 75 41.979 41.979 43.918 -1.939 19012 6703 1 15 . 1 1 75 75 LEU H H 75 9.467 9.467 9.094 0.373 19012 6704 1 15 . 1 1 76 76 ASP N N 76 123.675 123.675 124.790 -1.115 19012 6705 1 15 . 1 1 76 76 ASP HA H 76 5.041 5.041 4.548 0.493 19012 6706 1 15 . 1 1 76 76 ASP CA C 76 51.324 51.324 56.415 -5.091 19012 6707 1 15 . 1 1 76 76 ASP CB C 76 39.376 39.376 41.350 -1.974 19012 6708 1 15 . 1 1 76 76 ASP H H 76 7.825 7.825 8.834 -1.009 19012 6709 1 15 . 1 1 77 77 CYS N N 77 118.147 118.147 119.596 -1.449 19012 6710 1 15 . 1 1 77 77 CYS HA H 77 5.514 5.514 5.209 0.305 19012 6711 1 15 . 1 1 77 77 CYS CA C 77 53.205 53.205 55.865 -2.660 19012 6712 1 15 . 1 1 77 77 CYS CB C 77 30.347 30.347 32.036 -1.690 19012 6713 1 15 . 1 1 77 77 CYS H H 77 8.504 8.504 7.994 0.510 19012 6714 1 15 . 1 1 78 78 LYS N N 78 119.791 119.791 118.068 1.723 19012 6715 1 15 . 1 1 78 78 LYS HA H 78 4.398 4.398 4.476 -0.078 19012 6716 1 15 . 1 1 78 78 LYS CA C 78 52.033 52.033 54.072 -2.039 19012 6717 1 15 . 1 1 78 78 LYS CB C 78 33.618 33.618 35.625 -2.007 19012 6718 1 15 . 1 1 78 78 LYS H H 78 8.483 8.483 8.334 0.149 19012 6719 1 15 . 1 1 79 79 ILE N N 79 122.179 122.179 120.317 1.862 19012 6720 1 15 . 1 1 79 79 ILE HA H 79 5.410 5.410 5.012 0.398 19012 6721 1 15 . 1 1 79 79 ILE CA C 79 56.581 56.581 60.484 -3.903 19012 6722 1 15 . 1 1 79 79 ILE CB C 79 41.302 41.302 42.594 -1.292 19012 6723 1 15 . 1 1 79 79 ILE H H 79 8.923 8.923 8.767 0.156 19012 6724 1 15 . 1 1 80 80 SER N N 80 122.640 122.640 120.776 1.864 19012 6725 1 15 . 1 1 80 80 SER HA H 80 4.760 4.760 5.198 -0.438 19012 6726 1 15 . 1 1 80 80 SER CB C 80 62.504 62.504 63.922 -1.417 19012 6727 1 15 . 1 1 80 80 SER H H 80 9.150 9.150 8.947 0.203 19012 6728 1 15 . 1 1 81 81 GLY N N 81 111.781 111.781 111.236 0.545 19012 6729 1 15 . 1 1 81 81 GLY CA C 81 44.910 44.910 46.848 -1.938 19012 6730 1 15 . 1 1 81 81 GLY H H 81 8.832 8.832 8.734 0.098 19012 6731 1 15 . 1 1 82 82 THR N N 82 110.902 110.902 113.990 -3.088 19012 6732 1 15 . 1 1 82 82 THR HA H 82 4.541 4.541 4.521 0.020 19012 6733 1 15 . 1 1 82 82 THR CA C 82 58.833 58.833 62.821 -3.988 19012 6734 1 15 . 1 1 82 82 THR H H 82 8.284 8.284 7.963 0.321 19012 6735 1 15 . 1 1 83 83 THR N N 83 119.808 119.808 120.054 -0.246 19012 6736 1 15 . 1 1 83 83 THR HA H 83 5.576 5.576 5.228 0.348 19012 6737 1 15 . 1 1 83 83 THR CA C 83 59.711 59.711 63.060 -3.349 19012 6738 1 15 . 1 1 83 83 THR CB C 83 68.486 68.486 71.000 -2.514 19012 6739 1 15 . 1 1 83 83 THR H H 83 8.178 8.178 7.741 0.437 19012 6740 1 15 . 1 1 84 84 LEU N N 84 128.946 128.946 128.844 0.102 19012 6741 1 15 . 1 1 84 84 LEU HA H 84 4.787 4.787 4.723 0.064 19012 6742 1 15 . 1 1 84 84 LEU CA C 84 50.979 50.979 53.450 -2.471 19012 6743 1 15 . 1 1 84 84 LEU CB C 84 43.114 43.114 43.961 -0.847 19012 6744 1 15 . 1 1 84 84 LEU H H 84 9.103 9.103 9.139 -0.036 19012 6745 1 15 . 1 1 85 85 LYS N N 85 129.439 129.439 127.705 1.734 19012 6746 1 15 . 1 1 85 85 LYS HA H 85 5.220 5.220 4.807 0.413 19012 6747 1 15 . 1 1 85 85 LYS CA C 85 52.028 52.028 54.910 -2.882 19012 6748 1 15 . 1 1 85 85 LYS CB C 85 32.656 32.656 33.950 -1.294 19012 6749 1 15 . 1 1 85 85 LYS H H 85 9.336 9.336 8.752 0.584 19012 6750 1 15 . 1 1 86 86 VAL N N 86 127.719 127.719 128.101 -0.382 19012 6751 1 15 . 1 1 86 86 VAL HA H 86 4.279 4.279 3.737 0.542 19012 6752 1 15 . 1 1 86 86 VAL CA C 86 59.179 59.179 63.351 -4.172 19012 6753 1 15 . 1 1 86 86 VAL CB C 86 29.826 29.826 32.222 -2.396 19012 6754 1 15 . 1 1 86 86 VAL H H 86 9.122 9.122 8.351 0.771 19012 6755 1 15 . 1 1 87 87 GLU N N 87 126.504 126.504 128.047 -1.543 19012 6756 1 15 . 1 1 87 87 GLU HA H 87 4.215 4.215 4.347 -0.132 19012 6757 1 15 . 1 1 87 87 GLU CA C 87 55.427 55.427 57.916 -2.489 19012 6758 1 15 . 1 1 87 87 GLU CB C 87 29.038 29.038 30.785 -1.747 19012 6759 1 15 . 1 1 87 87 GLU H H 87 8.960 8.960 8.827 0.133 19012 6760 1 15 . 1 1 88 88 THR N N 88 109.146 109.146 111.527 -2.381 19012 6761 1 15 . 1 1 88 88 THR HA H 88 4.560 4.560 4.432 0.128 19012 6762 1 15 . 1 1 88 88 THR CA C 88 57.802 57.802 61.642 -3.840 19012 6763 1 15 . 1 1 88 88 THR CB C 88 69.805 69.805 70.753 -0.948 19012 6764 1 15 . 1 1 88 88 THR H H 88 7.079 7.079 7.653 -0.574 19012 6765 1 15 . 1 1 89 89 GLY N N 89 102.665 102.665 111.655 -8.990 19012 6766 1 15 . 1 1 89 89 GLY CA C 89 42.083 42.083 44.453 -2.370 19012 6767 1 15 . 1 1 89 89 GLY H H 89 7.984 7.984 7.917 0.067 19012 6768 1 15 . 1 1 90 90 SER N N 90 118.973 118.973 115.232 3.741 19012 6769 1 15 . 1 1 90 90 SER HA H 90 4.103 4.103 4.159 -0.056 19012 6770 1 15 . 1 1 90 90 SER CA C 90 58.840 58.840 60.680 -1.840 19012 6771 1 15 . 1 1 90 90 SER CB C 90 60.079 60.079 63.235 -3.156 19012 6772 1 15 . 1 1 90 90 SER H H 90 8.854 8.854 8.698 0.156 19012 6773 1 15 . 1 1 91 91 GLU N N 91 120.699 120.699 117.966 2.733 19012 6774 1 15 . 1 1 91 91 GLU HA H 91 3.676 3.676 4.415 -0.739 19012 6775 1 15 . 1 1 91 91 GLU CA C 91 54.571 54.571 55.210 -0.639 19012 6776 1 15 . 1 1 91 91 GLU CB C 91 26.627 26.627 29.288 -2.660 19012 6777 1 15 . 1 1 91 91 GLU H H 91 10.220 10.220 8.117 2.103 19012 6778 1 15 . 1 1 92 92 ALA N N 92 121.411 121.411 122.695 -1.284 19012 6779 1 15 . 1 1 92 92 ALA HA H 92 3.691 3.691 4.190 -0.499 19012 6780 1 15 . 1 1 92 92 ALA CA C 92 50.916 50.916 53.146 -2.230 19012 6781 1 15 . 1 1 92 92 ALA CB C 92 16.118 16.118 18.710 -2.592 19012 6782 1 15 . 1 1 92 92 ALA H H 92 7.014 7.014 7.386 -0.372 19012 6783 1 15 . 1 1 93 93 GLY N N 93 109.056 109.056 112.104 -3.048 19012 6784 1 15 . 1 1 93 93 GLY CA C 93 42.601 42.601 45.473 -2.872 19012 6785 1 15 . 1 1 93 93 GLY H H 93 8.706 8.706 8.354 0.352 19012 6786 1 15 . 1 1 94 94 THR N N 94 117.255 117.255 116.483 0.772 19012 6787 1 15 . 1 1 94 94 THR HA H 94 4.831 4.831 5.255 -0.424 19012 6788 1 15 . 1 1 94 94 THR CA C 94 60.491 60.491 60.803 -0.312 19012 6789 1 15 . 1 1 94 94 THR CB C 94 66.403 66.403 70.008 -3.605 19012 6790 1 15 . 1 1 94 94 THR H H 94 8.637 8.637 8.229 0.408 19012 6791 1 15 . 1 1 95 95 TYR N N 95 127.051 127.051 126.308 0.743 19012 6792 1 15 . 1 1 95 95 TYR HA H 95 4.564 4.564 5.236 -0.672 19012 6793 1 15 . 1 1 95 95 TYR CA C 95 53.889 53.889 56.932 -3.043 19012 6794 1 15 . 1 1 95 95 TYR CB C 95 39.733 39.733 43.297 -3.564 19012 6795 1 15 . 1 1 95 95 TYR H H 95 10.060 10.060 9.409 0.651 19012 6796 1 15 . 1 1 96 96 LYS N N 96 119.487 119.487 120.383 -0.896 19012 6797 1 15 . 1 1 96 96 LYS HA H 96 5.668 5.668 5.535 0.133 19012 6798 1 15 . 1 1 96 96 LYS CA C 96 50.781 50.781 54.336 -3.555 19012 6799 1 15 . 1 1 96 96 LYS CB C 96 31.840 31.840 36.911 -5.071 19012 6800 1 15 . 1 1 96 96 LYS H H 96 8.960 8.960 9.438 -0.478 19012 6801 1 15 . 1 1 97 97 LYS N N 97 128.866 128.866 124.753 4.113 19012 6802 1 15 . 1 1 97 97 LYS HA H 97 3.701 3.701 3.550 0.151 19012 6803 1 15 . 1 1 97 97 LYS CA C 97 55.022 55.022 57.487 -2.465 19012 6804 1 15 . 1 1 97 97 LYS CB C 97 30.744 30.744 32.500 -1.756 19012 6805 1 15 . 1 1 97 97 LYS H H 97 8.729 8.729 8.847 -0.118 19012 6806 1 15 . 1 1 98 98 GLN N N 98 127.056 127.056 122.101 4.955 19012 6807 1 15 . 1 1 98 98 GLN HA H 98 4.244 4.244 4.349 -0.105 19012 6808 1 15 . 1 1 98 98 GLN CA C 98 52.689 52.689 55.363 -2.674 19012 6809 1 15 . 1 1 98 98 GLN CB C 98 28.065 28.065 29.922 -1.857 19012 6810 1 15 . 1 1 98 98 GLN H H 98 8.992 8.992 8.451 0.541 19012 6811 1 16 . 1 1 2 2 GLU N N 2 119.968 119.968 120.373 -0.405 19012 6812 1 16 . 1 1 2 2 GLU HA H 2 4.009 4.009 4.387 -0.378 19012 6813 1 16 . 1 1 2 2 GLU CA C 2 53.190 53.190 55.529 -2.339 19012 6814 1 16 . 1 1 2 2 GLU CB C 2 27.574 27.574 32.428 -4.854 19012 6815 1 16 . 1 1 2 2 GLU H H 2 8.212 8.212 8.443 -0.231 19012 6816 1 16 . 1 1 3 3 ASP N N 3 122.057 122.057 122.527 -0.470 19012 6817 1 16 . 1 1 3 3 ASP HA H 3 4.509 4.509 4.755 -0.245 19012 6818 1 16 . 1 1 3 3 ASP CA C 3 50.691 50.691 53.778 -3.087 19012 6819 1 16 . 1 1 3 3 ASP CB C 3 38.121 38.121 40.932 -2.811 19012 6820 1 16 . 1 1 3 3 ASP H H 3 8.209 8.209 8.431 -0.222 19012 6821 1 16 . 1 1 4 4 TRP N N 4 121.397 121.397 123.466 -2.069 19012 6822 1 16 . 1 1 4 4 TRP HA H 4 4.749 4.749 4.705 0.044 19012 6823 1 16 . 1 1 4 4 TRP CA C 4 53.792 53.792 56.436 -2.644 19012 6824 1 16 . 1 1 4 4 TRP CB C 4 27.994 27.994 31.610 -3.616 19012 6825 1 16 . 1 1 4 4 TRP H H 4 7.614 7.614 8.283 -0.669 19012 6826 1 16 . 1 1 5 5 THR N N 5 117.669 117.669 116.810 0.859 19012 6827 1 16 . 1 1 5 5 THR HA H 5 4.733 4.733 4.529 0.204 19012 6828 1 16 . 1 1 5 5 THR CA C 5 57.170 57.170 61.534 -4.364 19012 6829 1 16 . 1 1 5 5 THR CB C 5 68.444 68.444 69.570 -1.126 19012 6830 1 16 . 1 1 5 5 THR H H 5 9.387 9.387 8.866 0.521 19012 6831 1 16 . 1 1 6 6 GLU N N 6 121.359 121.359 119.538 1.821 19012 6832 1 16 . 1 1 6 6 GLU HA H 6 4.283 4.283 4.181 0.102 19012 6833 1 16 . 1 1 6 6 GLU CA C 6 53.743 53.743 57.017 -3.274 19012 6834 1 16 . 1 1 6 6 GLU CB C 6 28.184 28.184 30.205 -2.021 19012 6835 1 16 . 1 1 6 6 GLU H H 6 8.027 8.027 8.532 -0.505 19012 6836 1 16 . 1 1 7 7 LEU N N 7 126.701 126.701 123.945 2.756 19012 6837 1 16 . 1 1 7 7 LEU HA H 7 4.217 4.217 4.304 -0.087 19012 6838 1 16 . 1 1 7 7 LEU CA C 7 52.720 52.720 54.871 -2.151 19012 6839 1 16 . 1 1 7 7 LEU CB C 7 40.595 40.595 42.905 -2.310 19012 6840 1 16 . 1 1 7 7 LEU H H 7 8.626 8.626 8.375 0.251 19012 6841 1 16 . 1 1 8 8 ASN N N 8 121.528 121.528 123.631 -2.103 19012 6842 1 16 . 1 1 8 8 ASN HA H 8 4.611 4.611 4.999 -0.388 19012 6843 1 16 . 1 1 8 8 ASN CA C 8 49.652 49.652 52.283 -2.631 19012 6844 1 16 . 1 1 8 8 ASN CB C 8 38.102 38.102 41.612 -3.510 19012 6845 1 16 . 1 1 8 8 ASN H H 8 9.218 9.218 9.332 -0.114 19012 6846 1 16 . 1 1 9 9 SER N N 9 109.319 109.319 116.737 -7.418 19012 6847 1 16 . 1 1 9 9 SER HA H 9 4.045 4.045 4.435 -0.390 19012 6848 1 16 . 1 1 9 9 SER CA C 9 58.381 58.381 59.112 -0.731 19012 6849 1 16 . 1 1 9 9 SER CB C 9 60.521 60.521 61.614 -1.093 19012 6850 1 16 . 1 1 9 9 SER H H 9 8.268 8.268 8.770 -0.502 19012 6851 1 16 . 1 1 10 10 ASN N N 10 117.403 117.403 117.384 0.019 19012 6852 1 16 . 1 1 10 10 ASN HA H 10 4.872 4.872 4.939 -0.067 19012 6853 1 16 . 1 1 10 10 ASN CA C 10 52.508 52.508 54.216 -1.708 19012 6854 1 16 . 1 1 10 10 ASN CB C 10 37.905 37.905 40.404 -2.498 19012 6855 1 16 . 1 1 10 10 ASN H H 10 8.610 8.610 8.189 0.421 19012 6856 1 16 . 1 1 11 11 ASN N N 11 119.053 119.053 118.438 0.615 19012 6857 1 16 . 1 1 11 11 ASN HA H 11 4.396 4.396 4.699 -0.303 19012 6858 1 16 . 1 1 11 11 ASN CA C 11 51.832 51.832 54.489 -2.657 19012 6859 1 16 . 1 1 11 11 ASN CB C 11 34.355 34.355 38.413 -4.058 19012 6860 1 16 . 1 1 11 11 ASN H H 11 8.614 8.614 7.759 0.855 19012 6861 1 16 . 1 1 12 12 ILE N N 12 117.943 117.943 120.051 -2.108 19012 6862 1 16 . 1 1 12 12 ILE HA H 12 4.185 4.185 4.024 0.161 19012 6863 1 16 . 1 1 12 12 ILE CA C 12 55.309 55.309 61.425 -6.117 19012 6864 1 16 . 1 1 12 12 ILE CB C 12 36.651 36.651 38.201 -1.550 19012 6865 1 16 . 1 1 12 12 ILE H H 12 7.041 7.041 7.162 -0.121 19012 6866 1 16 . 1 1 13 13 ILE N N 13 118.354 118.354 119.861 -1.507 19012 6867 1 16 . 1 1 13 13 ILE HA H 13 3.800 3.800 4.140 -0.340 19012 6868 1 16 . 1 1 13 13 ILE CA C 13 58.469 58.469 61.923 -3.454 19012 6869 1 16 . 1 1 13 13 ILE CB C 13 34.584 34.584 34.834 -0.250 19012 6870 1 16 . 1 1 13 13 ILE H H 13 6.635 6.635 8.089 -1.454 19012 6871 1 16 . 1 1 14 14 GLY N N 14 114.150 114.150 114.907 -0.757 19012 6872 1 16 . 1 1 14 14 GLY CA C 14 41.496 41.496 45.386 -3.890 19012 6873 1 16 . 1 1 14 14 GLY H H 14 8.842 8.842 8.022 0.820 19012 6874 1 16 . 1 1 15 15 TYR N N 15 119.014 119.014 119.640 -0.626 19012 6875 1 16 . 1 1 15 15 TYR HA H 15 4.961 4.961 4.858 0.103 19012 6876 1 16 . 1 1 15 15 TYR CA C 15 54.499 54.499 58.873 -4.374 19012 6877 1 16 . 1 1 15 15 TYR CB C 15 38.075 38.075 40.379 -2.304 19012 6878 1 16 . 1 1 15 15 TYR H H 15 8.264 8.264 8.313 -0.049 19012 6879 1 16 . 1 1 16 16 TRP N N 16 124.101 124.101 120.785 3.316 19012 6880 1 16 . 1 1 16 16 TRP HA H 16 5.175 5.175 5.555 -0.380 19012 6881 1 16 . 1 1 16 16 TRP CA C 16 52.970 52.970 56.690 -3.720 19012 6882 1 16 . 1 1 16 16 TRP CB C 16 28.341 28.341 34.254 -5.913 19012 6883 1 16 . 1 1 16 16 TRP H H 16 9.497 9.497 9.202 0.295 19012 6884 1 16 . 1 1 17 17 SER N N 17 115.863 115.863 114.799 1.064 19012 6885 1 16 . 1 1 17 17 SER HA H 17 6.272 6.272 5.623 0.649 19012 6886 1 16 . 1 1 17 17 SER CA C 17 53.039 53.039 56.854 -3.815 19012 6887 1 16 . 1 1 17 17 SER CB C 17 63.415 63.415 65.374 -1.959 19012 6888 1 16 . 1 1 17 17 SER H H 17 9.182 9.182 9.366 -0.184 19012 6889 1 16 . 1 1 18 18 THR N N 18 119.520 119.520 117.306 2.214 19012 6890 1 16 . 1 1 18 18 THR CB C 18 67.199 67.199 69.069 -1.870 19012 6891 1 16 . 1 1 18 18 THR H H 18 8.996 8.996 8.359 0.637 19012 6892 1 16 . 1 1 19 19 GLY N N 19 110.006 110.006 109.286 0.720 19012 6893 1 16 . 1 1 19 19 GLY CA C 19 42.615 42.615 45.294 -2.679 19012 6894 1 16 . 1 1 19 19 GLY H H 19 8.206 8.206 7.457 0.749 19012 6895 1 16 . 1 1 20 20 ILE N N 20 111.313 111.313 112.516 -1.203 19012 6896 1 16 . 1 1 20 20 ILE HA H 20 3.519 3.519 3.937 -0.418 19012 6897 1 16 . 1 1 20 20 ILE CA C 20 57.765 57.765 60.119 -2.354 19012 6898 1 16 . 1 1 20 20 ILE CB C 20 37.839 37.839 39.344 -1.505 19012 6899 1 16 . 1 1 20 20 ILE H H 20 7.953 7.953 8.162 -0.209 19012 6900 1 16 . 1 1 21 21 GLU N N 21 119.547 119.547 119.230 0.317 19012 6901 1 16 . 1 1 21 21 GLU HA H 21 4.463 4.463 4.850 -0.387 19012 6902 1 16 . 1 1 21 21 GLU CA C 21 52.227 52.227 54.507 -2.280 19012 6903 1 16 . 1 1 21 21 GLU CB C 21 29.468 29.468 31.615 -2.147 19012 6904 1 16 . 1 1 21 21 GLU H H 21 7.514 7.514 7.405 0.109 19012 6905 1 16 . 1 1 22 22 GLY N N 22 109.534 109.534 109.110 0.424 19012 6906 1 16 . 1 1 22 22 GLY CA C 22 43.582 43.582 46.981 -3.399 19012 6907 1 16 . 1 1 22 22 GLY H H 22 8.457 8.457 8.837 -0.380 19012 6908 1 16 . 1 1 23 23 THR N N 23 124.632 124.632 120.757 3.875 19012 6909 1 16 . 1 1 23 23 THR HA H 23 5.271 5.271 5.190 0.081 19012 6910 1 16 . 1 1 23 23 THR CA C 23 60.060 60.060 61.665 -1.605 19012 6911 1 16 . 1 1 23 23 THR CB C 23 65.680 65.680 69.704 -4.024 19012 6912 1 16 . 1 1 23 23 THR H H 23 8.881 8.881 8.126 0.755 19012 6913 1 16 . 1 1 24 24 HIS N N 24 122.881 122.881 122.407 0.474 19012 6914 1 16 . 1 1 24 24 HIS HA H 24 4.780 4.780 5.202 -0.422 19012 6915 1 16 . 1 1 24 24 HIS CA C 24 50.970 50.970 53.834 -2.864 19012 6916 1 16 . 1 1 24 24 HIS CB C 24 27.898 27.898 32.091 -4.193 19012 6917 1 16 . 1 1 24 24 HIS H H 24 8.919 8.919 8.892 0.027 19012 6918 1 16 . 1 1 25 25 LYS N N 25 119.738 119.738 118.095 1.643 19012 6919 1 16 . 1 1 25 25 LYS HA H 25 5.437 5.437 5.112 0.326 19012 6920 1 16 . 1 1 25 25 LYS CA C 25 52.650 52.650 55.621 -2.971 19012 6921 1 16 . 1 1 25 25 LYS CB C 25 33.277 33.277 36.233 -2.956 19012 6922 1 16 . 1 1 25 25 LYS H H 25 8.816 8.816 8.734 0.082 19012 6923 1 16 . 1 1 26 26 LEU N N 26 126.017 126.017 121.617 4.400 19012 6924 1 16 . 1 1 26 26 LEU HA H 26 5.825 5.825 5.196 0.629 19012 6925 1 16 . 1 1 26 26 LEU CA C 26 51.614 51.614 53.004 -1.390 19012 6926 1 16 . 1 1 26 26 LEU CB C 26 44.544 44.544 44.961 -0.417 19012 6927 1 16 . 1 1 26 26 LEU H H 26 9.420 9.420 8.672 0.748 19012 6928 1 16 . 1 1 27 27 LEU N N 27 128.825 128.825 122.396 6.429 19012 6929 1 16 . 1 1 27 27 LEU HA H 27 5.417 5.417 5.444 -0.027 19012 6930 1 16 . 1 1 27 27 LEU CA C 27 50.740 50.740 53.652 -2.912 19012 6931 1 16 . 1 1 27 27 LEU CB C 27 44.569 44.569 46.753 -2.184 19012 6932 1 16 . 1 1 27 27 LEU H H 27 9.475 9.475 8.451 1.024 19012 6933 1 16 . 1 1 28 28 SER N N 28 117.701 117.701 115.162 2.539 19012 6934 1 16 . 1 1 28 28 SER HA H 28 5.337 5.337 5.598 -0.261 19012 6935 1 16 . 1 1 28 28 SER CA C 28 53.530 53.530 56.563 -3.033 19012 6936 1 16 . 1 1 28 28 SER CB C 28 63.368 63.368 66.338 -2.970 19012 6937 1 16 . 1 1 28 28 SER H H 28 8.859 8.859 8.855 0.004 19012 6938 1 16 . 1 1 29 29 PHE N N 29 117.319 117.319 118.861 -1.542 19012 6939 1 16 . 1 1 29 29 PHE HA H 29 4.679 4.679 4.986 -0.307 19012 6940 1 16 . 1 1 29 29 PHE CA C 29 54.565 54.565 57.922 -3.357 19012 6941 1 16 . 1 1 29 29 PHE CB C 29 39.104 39.104 43.139 -4.035 19012 6942 1 16 . 1 1 29 29 PHE H H 29 8.401 8.401 8.617 -0.216 19012 6943 1 16 . 1 1 30 30 ASP N N 30 123.741 123.741 124.664 -0.923 19012 6944 1 16 . 1 1 30 30 ASP HA H 30 5.217 5.217 4.902 0.315 19012 6945 1 16 . 1 1 30 30 ASP CA C 30 50.408 50.408 53.038 -2.630 19012 6946 1 16 . 1 1 30 30 ASP CB C 30 41.148 41.148 42.369 -1.221 19012 6947 1 16 . 1 1 30 30 ASP H H 30 9.573 9.573 8.260 1.313 19012 6948 1 16 . 1 1 31 31 GLU N N 31 127.123 127.123 120.048 7.075 19012 6949 1 16 . 1 1 31 31 GLU HA H 31 4.127 4.127 4.159 -0.032 19012 6950 1 16 . 1 1 31 31 GLU CA C 31 56.324 56.324 59.187 -2.863 19012 6951 1 16 . 1 1 31 31 GLU CB C 31 27.283 27.283 30.265 -2.982 19012 6952 1 16 . 1 1 31 31 GLU H H 31 9.718 9.718 8.477 1.241 19012 6953 1 16 . 1 1 32 32 ASP N N 32 119.011 119.011 116.431 2.580 19012 6954 1 16 . 1 1 32 32 ASP HA H 32 4.443 4.443 4.756 -0.313 19012 6955 1 16 . 1 1 32 32 ASP CA C 32 50.919 50.919 53.959 -3.040 19012 6956 1 16 . 1 1 32 32 ASP CB C 32 37.344 37.344 41.371 -4.027 19012 6957 1 16 . 1 1 32 32 ASP H H 32 8.911 8.911 8.189 0.722 19012 6958 1 16 . 1 1 33 33 GLY N N 33 106.215 106.215 108.302 -2.087 19012 6959 1 16 . 1 1 33 33 GLY CA C 33 43.879 43.879 45.250 -1.371 19012 6960 1 16 . 1 1 33 33 GLY H H 33 7.781 7.781 7.974 -0.193 19012 6961 1 16 . 1 1 34 34 THR N N 34 111.570 111.570 112.667 -1.097 19012 6962 1 16 . 1 1 34 34 THR HA H 34 5.474 5.474 4.575 0.899 19012 6963 1 16 . 1 1 34 34 THR CA C 34 57.389 57.389 60.594 -3.205 19012 6964 1 16 . 1 1 34 34 THR CB C 34 69.991 69.991 71.736 -1.745 19012 6965 1 16 . 1 1 34 34 THR H H 34 7.863 7.863 7.745 0.118 19012 6966 1 16 . 1 1 35 35 GLY N N 35 106.781 106.781 107.481 -0.700 19012 6967 1 16 . 1 1 35 35 GLY CA C 35 43.233 43.233 43.358 -0.125 19012 6968 1 16 . 1 1 35 35 GLY H H 35 8.235 8.235 8.531 -0.296 19012 6969 1 16 . 1 1 36 36 SER N N 36 113.807 113.807 113.357 0.450 19012 6970 1 16 . 1 1 36 36 SER HA H 36 4.659 4.659 5.149 -0.490 19012 6971 1 16 . 1 1 36 36 SER CA C 36 54.509 54.509 57.863 -3.354 19012 6972 1 16 . 1 1 36 36 SER CB C 36 64.821 64.821 67.287 -2.466 19012 6973 1 16 . 1 1 36 36 SER H H 36 8.182 8.182 8.688 -0.506 19012 6974 1 16 . 1 1 37 37 PHE N N 37 120.041 120.041 121.805 -1.764 19012 6975 1 16 . 1 1 37 37 PHE HA H 37 5.885 5.885 5.220 0.665 19012 6976 1 16 . 1 1 37 37 PHE CA C 37 52.308 52.308 55.891 -3.583 19012 6977 1 16 . 1 1 37 37 PHE CB C 37 41.174 41.174 43.344 -2.170 19012 6978 1 16 . 1 1 37 37 PHE H H 37 8.829 8.829 8.435 0.394 19012 6979 1 16 . 1 1 38 38 GLY N N 38 115.263 115.263 110.598 4.665 19012 6980 1 16 . 1 1 38 38 GLY CA C 38 42.092 42.092 44.175 -2.083 19012 6981 1 16 . 1 1 38 38 GLY H H 38 8.936 8.936 7.724 1.212 19012 6982 1 16 . 1 1 39 39 ILE N N 39 119.791 119.791 120.450 -0.659 19012 6983 1 16 . 1 1 39 39 ILE HA H 39 4.292 4.292 4.546 -0.254 19012 6984 1 16 . 1 1 39 39 ILE CA C 39 58.280 58.280 59.932 -1.652 19012 6985 1 16 . 1 1 39 39 ILE CB C 39 36.838 36.838 41.384 -4.546 19012 6986 1 16 . 1 1 39 39 ILE H H 39 7.724 7.724 7.743 -0.019 19012 6987 1 16 . 1 1 40 40 TYR N N 40 125.748 125.748 125.176 0.572 19012 6988 1 16 . 1 1 40 40 TYR HA H 40 4.742 4.742 4.989 -0.247 19012 6989 1 16 . 1 1 40 40 TYR CA C 40 53.881 53.881 56.430 -2.549 19012 6990 1 16 . 1 1 40 40 TYR CB C 40 39.894 39.894 41.059 -1.165 19012 6991 1 16 . 1 1 40 40 TYR H H 40 8.782 8.782 9.217 -0.435 19012 6992 1 16 . 1 1 41 41 SER N N 41 114.721 114.721 120.371 -5.650 19012 6993 1 16 . 1 1 41 41 SER HA H 41 4.689 4.689 4.640 0.049 19012 6994 1 16 . 1 1 41 41 SER CA C 41 53.337 53.337 59.270 -5.933 19012 6995 1 16 . 1 1 41 41 SER CB C 41 60.205 60.205 62.830 -2.625 19012 6996 1 16 . 1 1 41 41 SER H H 41 8.708 8.708 8.788 -0.080 19012 6997 1 16 . 1 1 42 42 ASN N N 42 124.063 124.063 125.433 -1.370 19012 6998 1 16 . 1 1 42 42 ASN HA H 42 4.298 4.298 4.371 -0.073 19012 6999 1 16 . 1 1 42 42 ASN CA C 42 54.083 54.083 57.226 -3.143 19012 7000 1 16 . 1 1 42 42 ASN CB C 42 34.720 34.720 38.343 -3.623 19012 7001 1 16 . 1 1 42 42 ASN H H 42 9.239 9.239 9.279 -0.040 19012 7002 1 16 . 1 1 43 43 ALA N N 43 125.505 125.505 120.061 5.444 19012 7003 1 16 . 1 1 43 43 ALA HA H 43 4.576 4.576 4.888 -0.312 19012 7004 1 16 . 1 1 43 43 ALA CA C 43 50.170 50.170 52.627 -2.457 19012 7005 1 16 . 1 1 43 43 ALA CB C 43 16.678 16.678 20.433 -3.755 19012 7006 1 16 . 1 1 43 43 ALA H H 43 8.468 8.468 8.089 0.379 19012 7007 1 16 . 1 1 44 44 THR N N 44 119.056 119.056 117.416 1.640 19012 7008 1 16 . 1 1 44 44 THR HA H 44 4.550 4.550 4.837 -0.287 19012 7009 1 16 . 1 1 44 44 THR CA C 44 58.028 58.028 59.869 -1.841 19012 7010 1 16 . 1 1 44 44 THR CB C 44 68.176 68.176 70.073 -1.897 19012 7011 1 16 . 1 1 44 44 THR H H 44 8.420 8.420 8.093 0.327 19012 7012 1 16 . 1 1 45 45 PRO HA H 45 3.797 3.797 4.210 -0.413 19012 7013 1 16 . 1 1 45 45 PRO CA C 45 60.280 60.280 62.526 -2.246 19012 7014 1 16 . 1 1 45 45 PRO CB C 45 28.488 28.488 31.919 -3.431 19012 7015 1 16 . 1 1 46 46 ILE N N 46 124.607 124.607 122.386 2.221 19012 7016 1 16 . 1 1 46 46 ILE HA H 46 4.023 4.023 4.264 -0.241 19012 7017 1 16 . 1 1 46 46 ILE CA C 46 58.609 58.609 60.914 -2.305 19012 7018 1 16 . 1 1 46 46 ILE CB C 46 35.652 35.652 38.635 -2.983 19012 7019 1 16 . 1 1 46 46 ILE H H 46 8.998 8.998 8.593 0.405 19012 7020 1 16 . 1 1 47 47 SER N N 47 112.826 112.826 114.889 -2.063 19012 7021 1 16 . 1 1 47 47 SER HA H 47 4.474 4.474 4.672 -0.198 19012 7022 1 16 . 1 1 47 47 SER CA C 47 54.926 54.926 58.129 -3.203 19012 7023 1 16 . 1 1 47 47 SER CB C 47 62.419 62.419 66.315 -3.896 19012 7024 1 16 . 1 1 47 47 SER H H 47 7.439 7.439 7.361 0.078 19012 7025 1 16 . 1 1 48 48 PHE N N 48 123.266 123.266 120.649 2.617 19012 7026 1 16 . 1 1 48 48 PHE HA H 48 5.194 5.194 4.768 0.426 19012 7027 1 16 . 1 1 48 48 PHE CA C 48 55.624 55.624 57.869 -2.245 19012 7028 1 16 . 1 1 48 48 PHE CB C 48 40.000 40.000 41.812 -1.812 19012 7029 1 16 . 1 1 48 48 PHE H H 48 8.238 8.238 8.449 -0.211 19012 7030 1 16 . 1 1 49 49 GLN N N 49 123.564 123.564 123.350 0.214 19012 7031 1 16 . 1 1 49 49 GLN HA H 49 4.935 4.935 4.720 0.215 19012 7032 1 16 . 1 1 49 49 GLN CA C 49 51.294 51.294 54.210 -2.916 19012 7033 1 16 . 1 1 49 49 GLN CB C 49 29.688 29.688 31.979 -2.291 19012 7034 1 16 . 1 1 49 49 GLN H H 49 8.607 8.607 8.434 0.173 19012 7035 1 16 . 1 1 50 50 MET N N 50 120.626 120.626 118.263 2.363 19012 7036 1 16 . 1 1 50 50 MET HA H 50 4.637 4.637 5.017 -0.380 19012 7037 1 16 . 1 1 50 50 MET CA C 50 51.562 51.562 54.962 -3.400 19012 7038 1 16 . 1 1 50 50 MET CB C 50 33.549 33.549 37.993 -4.444 19012 7039 1 16 . 1 1 50 50 MET H H 50 9.071 9.071 8.567 0.504 19012 7040 1 16 . 1 1 51 51 PHE N N 51 112.996 112.996 116.054 -3.058 19012 7041 1 16 . 1 1 51 51 PHE HA H 51 4.928 4.928 5.319 -0.391 19012 7042 1 16 . 1 1 51 51 PHE CA C 51 53.899 53.899 54.021 -0.122 19012 7043 1 16 . 1 1 51 51 PHE CB C 51 38.018 38.018 40.537 -2.519 19012 7044 1 16 . 1 1 52 52 ASP N N 52 118.727 118.727 120.182 -1.455 19012 7045 1 16 . 1 1 52 52 ASP HA H 52 5.640 5.640 4.391 1.249 19012 7046 1 16 . 1 1 52 52 ASP CA C 52 50.264 50.264 52.163 -1.899 19012 7047 1 16 . 1 1 52 52 ASP CB C 52 38.971 38.971 43.623 -4.652 19012 7048 1 16 . 1 1 52 52 ASP H H 52 8.469 8.469 7.870 0.599 19012 7049 1 16 . 1 1 53 53 TYR N N 53 115.709 115.709 114.412 1.297 19012 7050 1 16 . 1 1 53 53 TYR HA H 53 6.351 6.351 5.329 1.022 19012 7051 1 16 . 1 1 53 53 TYR CA C 53 53.296 53.296 56.321 -3.025 19012 7052 1 16 . 1 1 53 53 TYR CB C 53 40.764 40.764 42.672 -1.908 19012 7053 1 16 . 1 1 53 53 TYR H H 53 8.725 8.725 8.088 0.637 19012 7054 1 16 . 1 1 54 54 LYS N N 54 118.766 118.766 120.863 -2.097 19012 7055 1 16 . 1 1 54 54 LYS HA H 54 4.445 4.445 4.790 -0.345 19012 7056 1 16 . 1 1 54 54 LYS CA C 54 52.187 52.187 54.629 -2.442 19012 7057 1 16 . 1 1 54 54 LYS CB C 54 34.819 34.819 36.145 -1.326 19012 7058 1 16 . 1 1 54 54 LYS H H 54 8.972 8.972 8.847 0.125 19012 7059 1 16 . 1 1 55 55 ILE N N 55 122.406 122.406 125.426 -3.020 19012 7060 1 16 . 1 1 55 55 ILE HA H 55 4.796 4.796 4.662 0.134 19012 7061 1 16 . 1 1 55 55 ILE CA C 55 56.172 56.172 59.650 -3.478 19012 7062 1 16 . 1 1 55 55 ILE CB C 55 33.404 33.404 36.714 -3.310 19012 7063 1 16 . 1 1 55 55 ILE H H 55 8.832 8.832 8.698 0.134 19012 7064 1 16 . 1 1 56 56 GLU N N 56 128.507 128.507 127.117 1.390 19012 7065 1 16 . 1 1 56 56 GLU HA H 56 4.575 4.575 4.462 0.113 19012 7066 1 16 . 1 1 56 56 GLU CA C 56 52.300 52.300 55.913 -3.613 19012 7067 1 16 . 1 1 56 56 GLU CB C 56 30.432 30.432 30.732 -0.300 19012 7068 1 16 . 1 1 56 56 GLU H H 56 8.787 8.787 8.750 0.037 19012 7069 1 16 . 1 1 57 57 GLU N N 57 125.606 125.606 118.365 7.241 19012 7070 1 16 . 1 1 57 57 GLU HA H 57 3.809 3.809 4.360 -0.551 19012 7071 1 16 . 1 1 57 57 GLU CA C 57 54.254 54.254 57.084 -2.830 19012 7072 1 16 . 1 1 57 57 GLU CB C 57 25.445 25.445 30.342 -4.897 19012 7073 1 16 . 1 1 57 57 GLU H H 57 9.296 9.296 8.542 0.754 19012 7074 1 16 . 1 1 58 58 GLY N N 58 103.913 103.913 108.141 -4.228 19012 7075 1 16 . 1 1 58 58 GLY CA C 58 43.401 43.401 45.870 -2.469 19012 7076 1 16 . 1 1 58 58 GLY H H 58 8.267 8.267 8.471 -0.204 19012 7077 1 16 . 1 1 59 59 ARG N N 59 119.125 119.125 117.639 1.486 19012 7078 1 16 . 1 1 59 59 ARG HA H 59 4.787 4.787 4.679 0.108 19012 7079 1 16 . 1 1 59 59 ARG CA C 59 51.812 51.812 53.804 -1.992 19012 7080 1 16 . 1 1 59 59 ARG CB C 59 32.023 32.023 32.931 -0.908 19012 7081 1 16 . 1 1 59 59 ARG H H 59 7.840 7.840 7.568 0.272 19012 7082 1 16 . 1 1 60 60 ILE N N 60 118.464 118.464 121.898 -3.434 19012 7083 1 16 . 1 1 60 60 ILE HA H 60 4.409 4.409 4.148 0.261 19012 7084 1 16 . 1 1 60 60 ILE CA C 60 58.461 58.461 61.393 -2.932 19012 7085 1 16 . 1 1 60 60 ILE CB C 60 36.943 36.943 37.744 -0.801 19012 7086 1 16 . 1 1 60 60 ILE H H 60 8.150 8.150 8.533 -0.383 19012 7087 1 16 . 1 1 61 61 TYR N N 61 130.267 130.267 130.649 -0.382 19012 7088 1 16 . 1 1 61 61 TYR HA H 61 4.399 4.399 4.413 -0.014 19012 7089 1 16 . 1 1 61 61 TYR CA C 61 53.435 53.435 56.182 -2.747 19012 7090 1 16 . 1 1 61 61 TYR CB C 61 37.443 37.443 38.441 -0.998 19012 7091 1 16 . 1 1 61 61 TYR H H 61 9.304 9.304 9.038 0.266 19012 7092 1 16 . 1 1 62 62 ILE N N 62 129.152 129.152 127.800 1.352 19012 7093 1 16 . 1 1 62 62 ILE HA H 62 4.035 4.035 3.950 0.085 19012 7094 1 16 . 1 1 62 62 ILE CA C 62 55.538 55.538 59.571 -4.033 19012 7095 1 16 . 1 1 62 62 ILE CB C 62 33.654 33.654 36.978 -3.324 19012 7096 1 16 . 1 1 62 62 ILE H H 62 8.326 8.326 8.557 -0.231 19012 7097 1 16 . 1 1 63 63 TYR N N 63 119.836 119.836 122.082 -2.246 19012 7098 1 16 . 1 1 63 63 TYR HA H 63 4.563 4.563 4.361 0.202 19012 7099 1 16 . 1 1 63 63 TYR CA C 63 52.035 52.035 55.257 -3.222 19012 7100 1 16 . 1 1 63 63 TYR CB C 63 36.267 36.267 40.018 -3.751 19012 7101 1 16 . 1 1 63 63 TYR H H 63 8.397 8.397 8.349 0.048 19012 7102 1 16 . 1 1 64 64 ASP N N 64 117.747 117.747 118.569 -0.822 19012 7103 1 16 . 1 1 64 64 ASP HA H 64 4.270 4.270 4.575 -0.305 19012 7104 1 16 . 1 1 64 64 ASP CA C 64 51.384 51.384 53.945 -2.561 19012 7105 1 16 . 1 1 64 64 ASP CB C 64 35.510 35.510 41.133 -5.623 19012 7106 1 16 . 1 1 64 64 ASP H H 64 8.570 8.570 7.762 0.808 19012 7107 1 16 . 1 1 65 65 VAL N N 65 117.619 117.619 120.571 -2.952 19012 7108 1 16 . 1 1 65 65 VAL HA H 65 4.329 4.329 4.983 -0.654 19012 7109 1 16 . 1 1 65 65 VAL CA C 65 61.015 61.015 61.179 -0.164 19012 7110 1 16 . 1 1 65 65 VAL CB C 65 29.350 29.350 34.958 -5.608 19012 7111 1 16 . 1 1 65 65 VAL H H 65 8.116 8.116 8.125 -0.009 19012 7112 1 16 . 1 1 66 66 TYR N N 66 127.317 127.317 126.350 0.967 19012 7113 1 16 . 1 1 66 66 TYR HA H 66 4.567 4.567 5.060 -0.493 19012 7114 1 16 . 1 1 66 66 TYR CA C 66 53.116 53.116 55.275 -2.159 19012 7115 1 16 . 1 1 66 66 TYR CB C 66 39.090 39.090 41.392 -2.302 19012 7116 1 16 . 1 1 66 66 TYR H H 66 8.911 8.911 9.121 -0.210 19012 7117 1 16 . 1 1 67 67 PRO HA H 67 3.778 3.778 4.152 -0.374 19012 7118 1 16 . 1 1 67 67 PRO CA C 67 60.736 60.736 63.396 -2.660 19012 7119 1 16 . 1 1 67 67 PRO CB C 67 32.039 32.039 31.549 0.490 19012 7120 1 16 . 1 1 68 68 ASP N N 68 122.446 122.446 120.523 1.923 19012 7121 1 16 . 1 1 68 68 ASP HA H 68 4.595 4.595 4.768 -0.173 19012 7122 1 16 . 1 1 68 68 ASP CA C 68 51.405 51.405 53.253 -1.848 19012 7123 1 16 . 1 1 68 68 ASP CB C 68 37.732 37.732 41.401 -3.669 19012 7124 1 16 . 1 1 68 68 ASP H H 68 8.017 8.017 7.843 0.173 19012 7125 1 16 . 1 1 69 69 GLU N N 69 121.842 121.842 120.459 1.383 19012 7126 1 16 . 1 1 69 69 GLU HA H 69 4.167 4.167 4.342 -0.175 19012 7127 1 16 . 1 1 69 69 GLU CA C 69 54.191 54.191 56.180 -1.989 19012 7128 1 16 . 1 1 69 69 GLU CB C 69 27.200 27.200 30.679 -3.479 19012 7129 1 16 . 1 1 69 69 GLU H H 69 8.109 8.109 8.478 -0.369 19012 7130 1 16 . 1 1 70 70 LYS N N 70 121.975 121.975 120.999 0.976 19012 7131 1 16 . 1 1 70 70 LYS HA H 70 4.532 4.532 4.488 0.044 19012 7132 1 16 . 1 1 70 70 LYS CA C 70 52.097 52.097 54.763 -2.666 19012 7133 1 16 . 1 1 70 70 LYS CB C 70 33.247 33.247 33.812 -0.565 19012 7134 1 16 . 1 1 70 70 LYS H H 70 7.646 7.646 8.433 -0.787 19012 7135 1 16 . 1 1 71 71 THR N N 71 120.177 120.177 117.347 2.830 19012 7136 1 16 . 1 1 71 71 THR HA H 71 4.386 4.386 4.406 -0.020 19012 7137 1 16 . 1 1 71 71 THR CA C 71 58.759 58.759 60.307 -1.548 19012 7138 1 16 . 1 1 71 71 THR CB C 71 66.724 66.724 69.395 -2.671 19012 7139 1 16 . 1 1 71 71 THR H H 71 8.258 8.258 8.431 -0.173 19012 7140 1 16 . 1 1 72 72 PRO HA H 72 4.389 4.389 4.232 0.157 19012 7141 1 16 . 1 1 72 72 PRO CA C 72 61.688 61.688 62.713 -1.025 19012 7142 1 16 . 1 1 72 72 PRO CB C 72 31.440 31.440 32.149 -0.709 19012 7143 1 16 . 1 1 73 73 TYR N N 73 118.747 118.747 119.627 -0.880 19012 7144 1 16 . 1 1 73 73 TYR HA H 73 4.857 4.857 4.937 -0.080 19012 7145 1 16 . 1 1 73 73 TYR CA C 73 52.643 52.643 55.273 -2.630 19012 7146 1 16 . 1 1 73 73 TYR CB C 73 37.470 37.470 39.546 -2.076 19012 7147 1 16 . 1 1 73 73 TYR H H 73 7.988 7.988 7.991 -0.003 19012 7148 1 16 . 1 1 74 74 TYR N N 74 114.692 114.692 119.247 -4.555 19012 7149 1 16 . 1 1 74 74 TYR HA H 74 5.548 5.548 5.526 0.022 19012 7150 1 16 . 1 1 74 74 TYR CA C 74 53.855 53.855 58.050 -4.195 19012 7151 1 16 . 1 1 74 74 TYR CB C 74 39.316 39.316 40.537 -1.221 19012 7152 1 16 . 1 1 74 74 TYR H H 74 8.370 8.370 8.619 -0.249 19012 7153 1 16 . 1 1 75 75 LEU N N 75 120.717 120.717 123.447 -2.730 19012 7154 1 16 . 1 1 75 75 LEU HA H 75 4.456 4.456 4.709 -0.253 19012 7155 1 16 . 1 1 75 75 LEU CA C 75 50.648 50.648 53.590 -2.942 19012 7156 1 16 . 1 1 75 75 LEU CB C 75 41.979 41.979 45.370 -3.391 19012 7157 1 16 . 1 1 75 75 LEU H H 75 9.467 9.467 8.837 0.630 19012 7158 1 16 . 1 1 76 76 ASP N N 76 123.675 123.675 125.625 -1.950 19012 7159 1 16 . 1 1 76 76 ASP HA H 76 5.041 5.041 4.707 0.334 19012 7160 1 16 . 1 1 76 76 ASP CA C 76 51.324 51.324 55.239 -3.915 19012 7161 1 16 . 1 1 76 76 ASP CB C 76 39.376 39.376 41.299 -1.923 19012 7162 1 16 . 1 1 76 76 ASP H H 76 7.825 7.825 8.746 -0.921 19012 7163 1 16 . 1 1 77 77 CYS N N 77 118.147 118.147 121.848 -3.701 19012 7164 1 16 . 1 1 77 77 CYS HA H 77 5.514 5.514 5.247 0.267 19012 7165 1 16 . 1 1 77 77 CYS CA C 77 53.205 53.205 55.754 -2.549 19012 7166 1 16 . 1 1 77 77 CYS CB C 77 30.347 30.347 32.006 -1.659 19012 7167 1 16 . 1 1 77 77 CYS H H 77 8.504 8.504 8.472 0.032 19012 7168 1 16 . 1 1 78 78 LYS N N 78 119.791 119.791 117.969 1.822 19012 7169 1 16 . 1 1 78 78 LYS HA H 78 4.398 4.398 4.449 -0.051 19012 7170 1 16 . 1 1 78 78 LYS CA C 78 52.033 52.033 54.504 -2.471 19012 7171 1 16 . 1 1 78 78 LYS CB C 78 33.618 33.618 35.542 -1.924 19012 7172 1 16 . 1 1 78 78 LYS H H 78 8.483 8.483 8.344 0.139 19012 7173 1 16 . 1 1 79 79 ILE N N 79 122.179 122.179 120.212 1.967 19012 7174 1 16 . 1 1 79 79 ILE HA H 79 5.410 5.410 5.006 0.404 19012 7175 1 16 . 1 1 79 79 ILE CA C 79 56.581 56.581 59.788 -3.207 19012 7176 1 16 . 1 1 79 79 ILE CB C 79 41.302 41.302 42.307 -1.005 19012 7177 1 16 . 1 1 79 79 ILE H H 79 8.923 8.923 8.390 0.533 19012 7178 1 16 . 1 1 80 80 SER N N 80 122.640 122.640 119.552 3.088 19012 7179 1 16 . 1 1 80 80 SER HA H 80 4.760 4.760 5.159 -0.399 19012 7180 1 16 . 1 1 80 80 SER CB C 80 62.504 62.504 64.017 -1.513 19012 7181 1 16 . 1 1 80 80 SER H H 80 9.150 9.150 8.738 0.412 19012 7182 1 16 . 1 1 81 81 GLY N N 81 111.781 111.781 111.846 -0.065 19012 7183 1 16 . 1 1 81 81 GLY CA C 81 44.910 44.910 45.977 -1.067 19012 7184 1 16 . 1 1 81 81 GLY H H 81 8.832 8.832 8.897 -0.065 19012 7185 1 16 . 1 1 82 82 THR N N 82 110.902 110.902 113.790 -2.888 19012 7186 1 16 . 1 1 82 82 THR HA H 82 4.541 4.541 4.467 0.074 19012 7187 1 16 . 1 1 82 82 THR CA C 82 58.833 58.833 61.193 -2.360 19012 7188 1 16 . 1 1 82 82 THR H H 82 8.284 8.284 7.818 0.466 19012 7189 1 16 . 1 1 83 83 THR N N 83 119.808 119.808 119.056 0.752 19012 7190 1 16 . 1 1 83 83 THR HA H 83 5.576 5.576 5.466 0.110 19012 7191 1 16 . 1 1 83 83 THR CA C 83 59.711 59.711 63.010 -3.299 19012 7192 1 16 . 1 1 83 83 THR CB C 83 68.486 68.486 70.697 -2.211 19012 7193 1 16 . 1 1 83 83 THR H H 83 8.178 8.178 7.785 0.393 19012 7194 1 16 . 1 1 84 84 LEU N N 84 128.946 128.946 127.790 1.156 19012 7195 1 16 . 1 1 84 84 LEU HA H 84 4.787 4.787 4.638 0.149 19012 7196 1 16 . 1 1 84 84 LEU CA C 84 50.979 50.979 53.391 -2.412 19012 7197 1 16 . 1 1 84 84 LEU CB C 84 43.114 43.114 44.025 -0.911 19012 7198 1 16 . 1 1 84 84 LEU H H 84 9.103 9.103 9.253 -0.150 19012 7199 1 16 . 1 1 85 85 LYS N N 85 129.439 129.439 127.076 2.363 19012 7200 1 16 . 1 1 85 85 LYS HA H 85 5.220 5.220 4.799 0.421 19012 7201 1 16 . 1 1 85 85 LYS CA C 85 52.028 52.028 54.520 -2.492 19012 7202 1 16 . 1 1 85 85 LYS CB C 85 32.656 32.656 33.437 -0.781 19012 7203 1 16 . 1 1 85 85 LYS H H 85 9.336 9.336 8.700 0.636 19012 7204 1 16 . 1 1 86 86 VAL N N 86 127.719 127.719 128.576 -0.857 19012 7205 1 16 . 1 1 86 86 VAL HA H 86 4.279 4.279 3.752 0.527 19012 7206 1 16 . 1 1 86 86 VAL CA C 86 59.179 59.179 63.463 -4.284 19012 7207 1 16 . 1 1 86 86 VAL CB C 86 29.826 29.826 31.552 -1.726 19012 7208 1 16 . 1 1 86 86 VAL H H 86 9.122 9.122 8.269 0.853 19012 7209 1 16 . 1 1 87 87 GLU N N 87 126.504 126.504 128.507 -2.003 19012 7210 1 16 . 1 1 87 87 GLU HA H 87 4.215 4.215 4.186 0.029 19012 7211 1 16 . 1 1 87 87 GLU CA C 87 55.427 55.427 58.105 -2.678 19012 7212 1 16 . 1 1 87 87 GLU CB C 87 29.038 29.038 30.291 -1.253 19012 7213 1 16 . 1 1 87 87 GLU H H 87 8.960 8.960 8.990 -0.030 19012 7214 1 16 . 1 1 88 88 THR N N 88 109.146 109.146 112.265 -3.119 19012 7215 1 16 . 1 1 88 88 THR HA H 88 4.560 4.560 4.453 0.107 19012 7216 1 16 . 1 1 88 88 THR CA C 88 57.802 57.802 61.515 -3.713 19012 7217 1 16 . 1 1 88 88 THR CB C 88 69.805 69.805 71.396 -1.591 19012 7218 1 16 . 1 1 88 88 THR H H 88 7.079 7.079 7.485 -0.406 19012 7219 1 16 . 1 1 89 89 GLY N N 89 102.665 102.665 110.083 -7.418 19012 7220 1 16 . 1 1 89 89 GLY CA C 89 42.083 42.083 44.664 -2.581 19012 7221 1 16 . 1 1 89 89 GLY H H 89 7.984 7.984 8.207 -0.223 19012 7222 1 16 . 1 1 90 90 SER N N 90 118.973 118.973 116.487 2.486 19012 7223 1 16 . 1 1 90 90 SER HA H 90 4.103 4.103 4.185 -0.082 19012 7224 1 16 . 1 1 90 90 SER CA C 90 58.840 58.840 61.012 -2.172 19012 7225 1 16 . 1 1 90 90 SER CB C 90 60.079 60.079 63.139 -3.060 19012 7226 1 16 . 1 1 90 90 SER H H 90 8.854 8.854 8.804 0.050 19012 7227 1 16 . 1 1 91 91 GLU N N 91 120.699 120.699 116.825 3.874 19012 7228 1 16 . 1 1 91 91 GLU HA H 91 3.676 3.676 4.488 -0.812 19012 7229 1 16 . 1 1 91 91 GLU CA C 91 54.571 54.571 55.129 -0.558 19012 7230 1 16 . 1 1 91 91 GLU CB C 91 26.627 26.627 28.972 -2.345 19012 7231 1 16 . 1 1 91 91 GLU H H 91 10.220 10.220 8.022 2.198 19012 7232 1 16 . 1 1 92 92 ALA N N 92 121.411 121.411 123.802 -2.391 19012 7233 1 16 . 1 1 92 92 ALA HA H 92 3.691 3.691 4.194 -0.503 19012 7234 1 16 . 1 1 92 92 ALA CA C 92 50.916 50.916 53.297 -2.381 19012 7235 1 16 . 1 1 92 92 ALA CB C 92 16.118 16.118 18.352 -2.234 19012 7236 1 16 . 1 1 92 92 ALA H H 92 7.014 7.014 7.348 -0.334 19012 7237 1 16 . 1 1 93 93 GLY N N 93 109.056 109.056 110.938 -1.882 19012 7238 1 16 . 1 1 93 93 GLY CA C 93 42.601 42.601 45.596 -2.995 19012 7239 1 16 . 1 1 93 93 GLY H H 93 8.706 8.706 7.857 0.849 19012 7240 1 16 . 1 1 94 94 THR N N 94 117.255 117.255 115.771 1.484 19012 7241 1 16 . 1 1 94 94 THR HA H 94 4.831 4.831 5.522 -0.691 19012 7242 1 16 . 1 1 94 94 THR CA C 94 60.491 60.491 60.113 0.378 19012 7243 1 16 . 1 1 94 94 THR CB C 94 66.403 66.403 70.226 -3.823 19012 7244 1 16 . 1 1 94 94 THR H H 94 8.637 8.637 7.926 0.711 19012 7245 1 16 . 1 1 95 95 TYR N N 95 127.051 127.051 127.895 -0.844 19012 7246 1 16 . 1 1 95 95 TYR HA H 95 4.564 4.564 5.440 -0.876 19012 7247 1 16 . 1 1 95 95 TYR CA C 95 53.889 53.889 56.423 -2.534 19012 7248 1 16 . 1 1 95 95 TYR CB C 95 39.733 39.733 42.840 -3.107 19012 7249 1 16 . 1 1 95 95 TYR H H 95 10.060 10.060 9.402 0.658 19012 7250 1 16 . 1 1 96 96 LYS N N 96 119.487 119.487 122.299 -2.812 19012 7251 1 16 . 1 1 96 96 LYS HA H 96 5.668 5.668 5.642 0.026 19012 7252 1 16 . 1 1 96 96 LYS CA C 96 50.781 50.781 54.159 -3.378 19012 7253 1 16 . 1 1 96 96 LYS CB C 96 31.840 31.840 35.844 -4.004 19012 7254 1 16 . 1 1 96 96 LYS H H 96 8.960 8.960 9.172 -0.212 19012 7255 1 16 . 1 1 97 97 LYS N N 97 128.866 128.866 124.489 4.377 19012 7256 1 16 . 1 1 97 97 LYS HA H 97 3.701 3.701 3.620 0.081 19012 7257 1 16 . 1 1 97 97 LYS CA C 97 55.022 55.022 57.502 -2.480 19012 7258 1 16 . 1 1 97 97 LYS CB C 97 30.744 30.744 32.457 -1.713 19012 7259 1 16 . 1 1 97 97 LYS H H 97 8.729 8.729 8.384 0.345 19012 7260 1 16 . 1 1 98 98 GLN N N 98 127.056 127.056 122.267 4.789 19012 7261 1 16 . 1 1 98 98 GLN HA H 98 4.244 4.244 4.418 -0.174 19012 7262 1 16 . 1 1 98 98 GLN CA C 98 52.689 52.689 55.070 -2.381 19012 7263 1 16 . 1 1 98 98 GLN CB C 98 28.065 28.065 30.064 -1.999 19012 7264 1 16 . 1 1 98 98 GLN H H 98 8.992 8.992 8.398 0.594 19012 7265 1 17 . 1 1 2 2 GLU N N 2 119.968 119.968 120.814 -0.846 19012 7266 1 17 . 1 1 2 2 GLU HA H 2 4.009 4.009 4.234 -0.225 19012 7267 1 17 . 1 1 2 2 GLU CA C 2 53.190 53.190 55.790 -2.600 19012 7268 1 17 . 1 1 2 2 GLU CB C 2 27.574 27.574 29.406 -1.832 19012 7269 1 17 . 1 1 2 2 GLU H H 2 8.212 8.212 8.521 -0.309 19012 7270 1 17 . 1 1 3 3 ASP N N 3 122.057 122.057 125.723 -3.666 19012 7271 1 17 . 1 1 3 3 ASP HA H 3 4.509 4.509 4.584 -0.075 19012 7272 1 17 . 1 1 3 3 ASP CA C 3 50.691 50.691 54.431 -3.740 19012 7273 1 17 . 1 1 3 3 ASP CB C 3 38.121 38.121 40.385 -2.264 19012 7274 1 17 . 1 1 3 3 ASP H H 3 8.209 8.209 8.149 0.060 19012 7275 1 17 . 1 1 4 4 TRP N N 4 121.397 121.397 124.462 -3.065 19012 7276 1 17 . 1 1 4 4 TRP HA H 4 4.749 4.749 4.800 -0.051 19012 7277 1 17 . 1 1 4 4 TRP CA C 4 53.792 53.792 56.519 -2.727 19012 7278 1 17 . 1 1 4 4 TRP CB C 4 27.994 27.994 30.641 -2.647 19012 7279 1 17 . 1 1 4 4 TRP H H 4 7.614 7.614 7.877 -0.263 19012 7280 1 17 . 1 1 5 5 THR N N 5 117.669 117.669 116.955 0.714 19012 7281 1 17 . 1 1 5 5 THR HA H 5 4.733 4.733 4.571 0.162 19012 7282 1 17 . 1 1 5 5 THR CA C 5 57.170 57.170 61.336 -4.166 19012 7283 1 17 . 1 1 5 5 THR CB C 5 68.444 68.444 69.437 -0.993 19012 7284 1 17 . 1 1 5 5 THR H H 5 9.387 9.387 8.656 0.731 19012 7285 1 17 . 1 1 6 6 GLU N N 6 121.359 121.359 120.703 0.656 19012 7286 1 17 . 1 1 6 6 GLU HA H 6 4.283 4.283 4.240 0.043 19012 7287 1 17 . 1 1 6 6 GLU CA C 6 53.743 53.743 56.172 -2.429 19012 7288 1 17 . 1 1 6 6 GLU CB C 6 28.184 28.184 30.058 -1.874 19012 7289 1 17 . 1 1 6 6 GLU H H 6 8.027 8.027 8.561 -0.534 19012 7290 1 17 . 1 1 7 7 LEU N N 7 126.701 126.701 127.721 -1.020 19012 7291 1 17 . 1 1 7 7 LEU HA H 7 4.217 4.217 4.268 -0.051 19012 7292 1 17 . 1 1 7 7 LEU CA C 7 52.720 52.720 55.629 -2.909 19012 7293 1 17 . 1 1 7 7 LEU CB C 7 40.595 40.595 42.661 -2.066 19012 7294 1 17 . 1 1 7 7 LEU H H 7 8.626 8.626 8.511 0.115 19012 7295 1 17 . 1 1 8 8 ASN N N 8 121.528 121.528 123.237 -1.709 19012 7296 1 17 . 1 1 8 8 ASN HA H 8 4.611 4.611 5.063 -0.452 19012 7297 1 17 . 1 1 8 8 ASN CA C 8 49.652 49.652 52.186 -2.534 19012 7298 1 17 . 1 1 8 8 ASN CB C 8 38.102 38.102 41.468 -3.366 19012 7299 1 17 . 1 1 8 8 ASN H H 8 9.218 9.218 8.973 0.245 19012 7300 1 17 . 1 1 9 9 SER N N 9 109.319 109.319 113.638 -4.319 19012 7301 1 17 . 1 1 9 9 SER HA H 9 4.045 4.045 4.382 -0.337 19012 7302 1 17 . 1 1 9 9 SER CA C 9 58.381 58.381 59.782 -1.401 19012 7303 1 17 . 1 1 9 9 SER CB C 9 60.521 60.521 62.010 -1.488 19012 7304 1 17 . 1 1 9 9 SER H H 9 8.268 8.268 8.860 -0.592 19012 7305 1 17 . 1 1 10 10 ASN N N 10 117.403 117.403 118.366 -0.963 19012 7306 1 17 . 1 1 10 10 ASN HA H 10 4.872 4.872 4.849 0.023 19012 7307 1 17 . 1 1 10 10 ASN CA C 10 52.508 52.508 54.657 -2.150 19012 7308 1 17 . 1 1 10 10 ASN CB C 10 37.905 37.905 40.314 -2.409 19012 7309 1 17 . 1 1 10 10 ASN H H 10 8.610 8.610 8.165 0.445 19012 7310 1 17 . 1 1 11 11 ASN N N 11 119.053 119.053 120.955 -1.902 19012 7311 1 17 . 1 1 11 11 ASN HA H 11 4.396 4.396 4.629 -0.233 19012 7312 1 17 . 1 1 11 11 ASN CA C 11 51.832 51.832 55.590 -3.758 19012 7313 1 17 . 1 1 11 11 ASN CB C 11 34.355 34.355 37.982 -3.627 19012 7314 1 17 . 1 1 11 11 ASN H H 11 8.614 8.614 8.643 -0.029 19012 7315 1 17 . 1 1 12 12 ILE N N 12 117.943 117.943 119.668 -1.725 19012 7316 1 17 . 1 1 12 12 ILE HA H 12 4.185 4.185 4.201 -0.016 19012 7317 1 17 . 1 1 12 12 ILE CA C 12 55.309 55.309 61.700 -6.391 19012 7318 1 17 . 1 1 12 12 ILE CB C 12 36.651 36.651 38.729 -2.078 19012 7319 1 17 . 1 1 12 12 ILE H H 12 7.041 7.041 7.483 -0.442 19012 7320 1 17 . 1 1 13 13 ILE N N 13 118.354 118.354 120.016 -1.662 19012 7321 1 17 . 1 1 13 13 ILE HA H 13 3.800 3.800 4.299 -0.499 19012 7322 1 17 . 1 1 13 13 ILE CA C 13 58.469 58.469 60.891 -2.422 19012 7323 1 17 . 1 1 13 13 ILE CB C 13 34.584 34.584 35.527 -0.943 19012 7324 1 17 . 1 1 13 13 ILE H H 13 6.635 6.635 7.527 -0.892 19012 7325 1 17 . 1 1 14 14 GLY N N 14 114.150 114.150 113.955 0.195 19012 7326 1 17 . 1 1 14 14 GLY CA C 14 41.496 41.496 44.532 -3.036 19012 7327 1 17 . 1 1 14 14 GLY H H 14 8.842 8.842 8.675 0.167 19012 7328 1 17 . 1 1 15 15 TYR N N 15 119.014 119.014 119.580 -0.566 19012 7329 1 17 . 1 1 15 15 TYR HA H 15 4.961 4.961 5.040 -0.079 19012 7330 1 17 . 1 1 15 15 TYR CA C 15 54.499 54.499 59.043 -4.544 19012 7331 1 17 . 1 1 15 15 TYR CB C 15 38.075 38.075 40.501 -2.426 19012 7332 1 17 . 1 1 15 15 TYR H H 15 8.264 8.264 8.430 -0.166 19012 7333 1 17 . 1 1 16 16 TRP N N 16 124.101 124.101 118.312 5.789 19012 7334 1 17 . 1 1 16 16 TRP HA H 16 5.175 5.175 5.548 -0.373 19012 7335 1 17 . 1 1 16 16 TRP CA C 16 52.970 52.970 56.749 -3.779 19012 7336 1 17 . 1 1 16 16 TRP CB C 16 28.341 28.341 34.421 -6.080 19012 7337 1 17 . 1 1 16 16 TRP H H 16 9.497 9.497 8.596 0.901 19012 7338 1 17 . 1 1 17 17 SER N N 17 115.863 115.863 113.556 2.307 19012 7339 1 17 . 1 1 17 17 SER HA H 17 6.272 6.272 5.208 1.064 19012 7340 1 17 . 1 1 17 17 SER CA C 17 53.039 53.039 57.222 -4.183 19012 7341 1 17 . 1 1 17 17 SER CB C 17 63.415 63.415 66.211 -2.796 19012 7342 1 17 . 1 1 17 17 SER H H 17 9.182 9.182 9.245 -0.063 19012 7343 1 17 . 1 1 18 18 THR N N 18 119.520 119.520 115.012 4.508 19012 7344 1 17 . 1 1 18 18 THR CB C 18 67.199 67.199 68.967 -1.768 19012 7345 1 17 . 1 1 18 18 THR H H 18 8.996 8.996 8.816 0.180 19012 7346 1 17 . 1 1 19 19 GLY N N 19 110.006 110.006 109.321 0.685 19012 7347 1 17 . 1 1 19 19 GLY CA C 19 42.615 42.615 44.985 -2.370 19012 7348 1 17 . 1 1 19 19 GLY H H 19 8.206 8.206 7.569 0.637 19012 7349 1 17 . 1 1 20 20 ILE N N 20 111.313 111.313 111.926 -0.613 19012 7350 1 17 . 1 1 20 20 ILE HA H 20 3.519 3.519 3.601 -0.082 19012 7351 1 17 . 1 1 20 20 ILE CA C 20 57.765 57.765 60.275 -2.510 19012 7352 1 17 . 1 1 20 20 ILE CB C 20 37.839 37.839 38.712 -0.872 19012 7353 1 17 . 1 1 20 20 ILE H H 20 7.953 7.953 8.196 -0.243 19012 7354 1 17 . 1 1 21 21 GLU N N 21 119.547 119.547 120.797 -1.250 19012 7355 1 17 . 1 1 21 21 GLU HA H 21 4.463 4.463 4.636 -0.173 19012 7356 1 17 . 1 1 21 21 GLU CA C 21 52.227 52.227 54.155 -1.928 19012 7357 1 17 . 1 1 21 21 GLU CB C 21 29.468 29.468 32.827 -3.359 19012 7358 1 17 . 1 1 21 21 GLU H H 21 7.514 7.514 7.682 -0.168 19012 7359 1 17 . 1 1 22 22 GLY N N 22 109.534 109.534 109.480 0.054 19012 7360 1 17 . 1 1 22 22 GLY CA C 22 43.582 43.582 47.401 -3.819 19012 7361 1 17 . 1 1 22 22 GLY H H 22 8.457 8.457 8.652 -0.195 19012 7362 1 17 . 1 1 23 23 THR N N 23 124.632 124.632 119.532 5.100 19012 7363 1 17 . 1 1 23 23 THR HA H 23 5.271 5.271 5.179 0.092 19012 7364 1 17 . 1 1 23 23 THR CA C 23 60.060 60.060 61.364 -1.304 19012 7365 1 17 . 1 1 23 23 THR CB C 23 65.680 65.680 70.587 -4.907 19012 7366 1 17 . 1 1 23 23 THR H H 23 8.881 8.881 8.086 0.795 19012 7367 1 17 . 1 1 24 24 HIS N N 24 122.881 122.881 124.135 -1.254 19012 7368 1 17 . 1 1 24 24 HIS HA H 24 4.780 4.780 5.004 -0.224 19012 7369 1 17 . 1 1 24 24 HIS CA C 24 50.970 50.970 54.145 -3.175 19012 7370 1 17 . 1 1 24 24 HIS CB C 24 27.898 27.898 32.167 -4.269 19012 7371 1 17 . 1 1 24 24 HIS H H 24 8.919 8.919 9.336 -0.417 19012 7372 1 17 . 1 1 25 25 LYS N N 25 119.738 119.738 116.222 3.516 19012 7373 1 17 . 1 1 25 25 LYS HA H 25 5.437 5.437 5.123 0.314 19012 7374 1 17 . 1 1 25 25 LYS CA C 25 52.650 52.650 55.670 -3.020 19012 7375 1 17 . 1 1 25 25 LYS CB C 25 33.277 33.277 36.198 -2.921 19012 7376 1 17 . 1 1 25 25 LYS H H 25 8.816 8.816 8.808 0.008 19012 7377 1 17 . 1 1 26 26 LEU N N 26 126.017 126.017 121.967 4.050 19012 7378 1 17 . 1 1 26 26 LEU HA H 26 5.825 5.825 5.062 0.763 19012 7379 1 17 . 1 1 26 26 LEU CA C 26 51.614 51.614 54.013 -2.399 19012 7380 1 17 . 1 1 26 26 LEU CB C 26 44.544 44.544 46.189 -1.645 19012 7381 1 17 . 1 1 26 26 LEU H H 26 9.420 9.420 8.657 0.763 19012 7382 1 17 . 1 1 27 27 LEU N N 27 128.825 128.825 124.580 4.245 19012 7383 1 17 . 1 1 27 27 LEU HA H 27 5.417 5.417 5.310 0.107 19012 7384 1 17 . 1 1 27 27 LEU CA C 27 50.740 50.740 53.478 -2.738 19012 7385 1 17 . 1 1 27 27 LEU CB C 27 44.569 44.569 46.362 -1.793 19012 7386 1 17 . 1 1 27 27 LEU H H 27 9.475 9.475 8.402 1.073 19012 7387 1 17 . 1 1 28 28 SER N N 28 117.701 117.701 113.622 4.079 19012 7388 1 17 . 1 1 28 28 SER HA H 28 5.337 5.337 4.946 0.391 19012 7389 1 17 . 1 1 28 28 SER CA C 28 53.530 53.530 56.139 -2.609 19012 7390 1 17 . 1 1 28 28 SER CB C 28 63.368 63.368 65.523 -2.155 19012 7391 1 17 . 1 1 28 28 SER H H 28 8.859 8.859 7.659 1.200 19012 7392 1 17 . 1 1 29 29 PHE N N 29 117.319 117.319 120.684 -3.365 19012 7393 1 17 . 1 1 29 29 PHE HA H 29 4.679 4.679 4.914 -0.235 19012 7394 1 17 . 1 1 29 29 PHE CA C 29 54.565 54.565 57.221 -2.656 19012 7395 1 17 . 1 1 29 29 PHE CB C 29 39.104 39.104 42.998 -3.894 19012 7396 1 17 . 1 1 29 29 PHE H H 29 8.401 8.401 8.228 0.173 19012 7397 1 17 . 1 1 30 30 ASP N N 30 123.741 123.741 123.328 0.413 19012 7398 1 17 . 1 1 30 30 ASP HA H 30 5.217 5.217 4.988 0.229 19012 7399 1 17 . 1 1 30 30 ASP CA C 30 50.408 50.408 52.843 -2.435 19012 7400 1 17 . 1 1 30 30 ASP CB C 30 41.148 41.148 43.294 -2.146 19012 7401 1 17 . 1 1 30 30 ASP H H 30 9.573 9.573 8.742 0.831 19012 7402 1 17 . 1 1 31 31 GLU N N 31 127.123 127.123 119.308 7.815 19012 7403 1 17 . 1 1 31 31 GLU HA H 31 4.127 4.127 4.238 -0.111 19012 7404 1 17 . 1 1 31 31 GLU CA C 31 56.324 56.324 59.071 -2.747 19012 7405 1 17 . 1 1 31 31 GLU CB C 31 27.283 27.283 30.283 -3.000 19012 7406 1 17 . 1 1 31 31 GLU H H 31 9.718 9.718 8.583 1.135 19012 7407 1 17 . 1 1 32 32 ASP N N 32 119.011 119.011 115.725 3.286 19012 7408 1 17 . 1 1 32 32 ASP HA H 32 4.443 4.443 4.690 -0.247 19012 7409 1 17 . 1 1 32 32 ASP CA C 32 50.919 50.919 54.040 -3.121 19012 7410 1 17 . 1 1 32 32 ASP CB C 32 37.344 37.344 40.450 -3.107 19012 7411 1 17 . 1 1 32 32 ASP H H 32 8.911 8.911 8.139 0.772 19012 7412 1 17 . 1 1 33 33 GLY N N 33 106.215 106.215 109.073 -2.858 19012 7413 1 17 . 1 1 33 33 GLY CA C 33 43.879 43.879 44.702 -0.823 19012 7414 1 17 . 1 1 33 33 GLY H H 33 7.781 7.781 8.334 -0.553 19012 7415 1 17 . 1 1 34 34 THR N N 34 111.570 111.570 112.518 -0.948 19012 7416 1 17 . 1 1 34 34 THR HA H 34 5.474 5.474 4.448 1.026 19012 7417 1 17 . 1 1 34 34 THR CA C 34 57.389 57.389 61.132 -3.743 19012 7418 1 17 . 1 1 34 34 THR CB C 34 69.991 69.991 71.036 -1.045 19012 7419 1 17 . 1 1 34 34 THR H H 34 7.863 7.863 7.592 0.271 19012 7420 1 17 . 1 1 35 35 GLY N N 35 106.781 106.781 106.918 -0.137 19012 7421 1 17 . 1 1 35 35 GLY CA C 35 43.233 43.233 42.608 0.625 19012 7422 1 17 . 1 1 35 35 GLY H H 35 8.235 8.235 8.335 -0.100 19012 7423 1 17 . 1 1 36 36 SER N N 36 113.807 113.807 113.110 0.697 19012 7424 1 17 . 1 1 36 36 SER HA H 36 4.659 4.659 5.246 -0.587 19012 7425 1 17 . 1 1 36 36 SER CA C 36 54.509 54.509 56.275 -1.766 19012 7426 1 17 . 1 1 36 36 SER CB C 36 64.821 64.821 66.763 -1.942 19012 7427 1 17 . 1 1 36 36 SER H H 36 8.182 8.182 8.066 0.116 19012 7428 1 17 . 1 1 37 37 PHE N N 37 120.041 120.041 121.920 -1.879 19012 7429 1 17 . 1 1 37 37 PHE HA H 37 5.885 5.885 5.262 0.623 19012 7430 1 17 . 1 1 37 37 PHE CA C 37 52.308 52.308 57.436 -5.128 19012 7431 1 17 . 1 1 37 37 PHE CB C 37 41.174 41.174 42.617 -1.443 19012 7432 1 17 . 1 1 37 37 PHE H H 37 8.829 8.829 8.513 0.316 19012 7433 1 17 . 1 1 38 38 GLY N N 38 115.263 115.263 115.804 -0.541 19012 7434 1 17 . 1 1 38 38 GLY CA C 38 42.092 42.092 43.404 -1.312 19012 7435 1 17 . 1 1 38 38 GLY H H 38 8.936 8.936 9.150 -0.214 19012 7436 1 17 . 1 1 39 39 ILE N N 39 119.791 119.791 125.512 -5.721 19012 7437 1 17 . 1 1 39 39 ILE HA H 39 4.292 4.292 3.984 0.308 19012 7438 1 17 . 1 1 39 39 ILE CA C 39 58.280 58.280 61.967 -3.687 19012 7439 1 17 . 1 1 39 39 ILE CB C 39 36.838 36.838 38.266 -1.428 19012 7440 1 17 . 1 1 39 39 ILE H H 39 7.724 7.724 7.166 0.558 19012 7441 1 17 . 1 1 40 40 TYR N N 40 125.748 125.748 126.755 -1.007 19012 7442 1 17 . 1 1 40 40 TYR HA H 40 4.742 4.742 5.012 -0.270 19012 7443 1 17 . 1 1 40 40 TYR CA C 40 53.881 53.881 56.580 -2.699 19012 7444 1 17 . 1 1 40 40 TYR CB C 40 39.894 39.894 41.662 -1.768 19012 7445 1 17 . 1 1 40 40 TYR H H 40 8.782 8.782 8.751 0.031 19012 7446 1 17 . 1 1 41 41 SER N N 41 114.721 114.721 117.697 -2.976 19012 7447 1 17 . 1 1 41 41 SER HA H 41 4.689 4.689 4.880 -0.191 19012 7448 1 17 . 1 1 41 41 SER CA C 41 53.337 53.337 57.552 -4.215 19012 7449 1 17 . 1 1 41 41 SER CB C 41 60.205 60.205 64.298 -4.093 19012 7450 1 17 . 1 1 41 41 SER H H 41 8.708 8.708 8.589 0.119 19012 7451 1 17 . 1 1 42 42 ASN N N 42 124.063 124.063 125.757 -1.694 19012 7452 1 17 . 1 1 42 42 ASN HA H 42 4.298 4.298 4.342 -0.044 19012 7453 1 17 . 1 1 42 42 ASN CA C 42 54.083 54.083 56.530 -2.447 19012 7454 1 17 . 1 1 42 42 ASN CB C 42 34.720 34.720 38.212 -3.492 19012 7455 1 17 . 1 1 42 42 ASN H H 42 9.239 9.239 9.033 0.206 19012 7456 1 17 . 1 1 43 43 ALA N N 43 125.505 125.505 124.040 1.465 19012 7457 1 17 . 1 1 43 43 ALA HA H 43 4.576 4.576 4.717 -0.141 19012 7458 1 17 . 1 1 43 43 ALA CA C 43 50.170 50.170 52.299 -2.129 19012 7459 1 17 . 1 1 43 43 ALA CB C 43 16.678 16.678 20.326 -3.648 19012 7460 1 17 . 1 1 43 43 ALA H H 43 8.468 8.468 7.878 0.590 19012 7461 1 17 . 1 1 44 44 THR N N 44 119.056 119.056 116.277 2.779 19012 7462 1 17 . 1 1 44 44 THR HA H 44 4.550 4.550 4.764 -0.214 19012 7463 1 17 . 1 1 44 44 THR CA C 44 58.028 58.028 60.324 -2.296 19012 7464 1 17 . 1 1 44 44 THR CB C 44 68.176 68.176 70.960 -2.784 19012 7465 1 17 . 1 1 44 44 THR H H 44 8.420 8.420 8.284 0.136 19012 7466 1 17 . 1 1 45 45 PRO HA H 45 3.797 3.797 4.147 -0.350 19012 7467 1 17 . 1 1 45 45 PRO CA C 45 60.280 60.280 63.052 -2.772 19012 7468 1 17 . 1 1 45 45 PRO CB C 45 28.488 28.488 31.992 -3.504 19012 7469 1 17 . 1 1 46 46 ILE N N 46 124.607 124.607 122.158 2.449 19012 7470 1 17 . 1 1 46 46 ILE HA H 46 4.023 4.023 4.312 -0.289 19012 7471 1 17 . 1 1 46 46 ILE CA C 46 58.609 58.609 61.051 -2.442 19012 7472 1 17 . 1 1 46 46 ILE CB C 46 35.652 35.652 39.279 -3.627 19012 7473 1 17 . 1 1 46 46 ILE H H 46 8.998 8.998 8.562 0.436 19012 7474 1 17 . 1 1 47 47 SER N N 47 112.826 112.826 115.348 -2.522 19012 7475 1 17 . 1 1 47 47 SER HA H 47 4.474 4.474 4.710 -0.236 19012 7476 1 17 . 1 1 47 47 SER CA C 47 54.926 54.926 57.338 -2.412 19012 7477 1 17 . 1 1 47 47 SER CB C 47 62.419 62.419 64.975 -2.556 19012 7478 1 17 . 1 1 47 47 SER H H 47 7.439 7.439 7.464 -0.025 19012 7479 1 17 . 1 1 48 48 PHE N N 48 123.266 123.266 120.765 2.501 19012 7480 1 17 . 1 1 48 48 PHE HA H 48 5.194 5.194 4.827 0.367 19012 7481 1 17 . 1 1 48 48 PHE CA C 48 55.624 55.624 57.839 -2.215 19012 7482 1 17 . 1 1 48 48 PHE CB C 48 40.000 40.000 41.823 -1.823 19012 7483 1 17 . 1 1 48 48 PHE H H 48 8.238 8.238 8.381 -0.143 19012 7484 1 17 . 1 1 49 49 GLN N N 49 123.564 123.564 122.535 1.029 19012 7485 1 17 . 1 1 49 49 GLN HA H 49 4.935 4.935 4.525 0.410 19012 7486 1 17 . 1 1 49 49 GLN CA C 49 51.294 51.294 54.089 -2.795 19012 7487 1 17 . 1 1 49 49 GLN CB C 49 29.688 29.688 32.339 -2.651 19012 7488 1 17 . 1 1 49 49 GLN H H 49 8.607 8.607 7.954 0.653 19012 7489 1 17 . 1 1 50 50 MET N N 50 120.626 120.626 118.366 2.260 19012 7490 1 17 . 1 1 50 50 MET HA H 50 4.637 4.637 5.289 -0.652 19012 7491 1 17 . 1 1 50 50 MET CA C 50 51.562 51.562 54.621 -3.059 19012 7492 1 17 . 1 1 50 50 MET CB C 50 33.549 33.549 37.251 -3.702 19012 7493 1 17 . 1 1 50 50 MET H H 50 9.071 9.071 8.114 0.957 19012 7494 1 17 . 1 1 51 51 PHE N N 51 112.996 112.996 116.580 -3.584 19012 7495 1 17 . 1 1 51 51 PHE HA H 51 4.928 4.928 5.172 -0.244 19012 7496 1 17 . 1 1 51 51 PHE CA C 51 53.899 53.899 56.614 -2.715 19012 7497 1 17 . 1 1 51 51 PHE CB C 51 38.018 38.018 40.711 -2.693 19012 7498 1 17 . 1 1 52 52 ASP N N 52 118.727 118.727 121.680 -2.953 19012 7499 1 17 . 1 1 52 52 ASP HA H 52 5.640 5.640 4.684 0.956 19012 7500 1 17 . 1 1 52 52 ASP CA C 52 50.264 50.264 55.709 -5.445 19012 7501 1 17 . 1 1 52 52 ASP CB C 52 38.971 38.971 42.237 -3.266 19012 7502 1 17 . 1 1 52 52 ASP H H 52 8.469 8.469 8.031 0.438 19012 7503 1 17 . 1 1 53 53 TYR N N 53 115.709 115.709 113.484 2.225 19012 7504 1 17 . 1 1 53 53 TYR HA H 53 6.351 6.351 5.475 0.876 19012 7505 1 17 . 1 1 53 53 TYR CA C 53 53.296 53.296 56.321 -3.025 19012 7506 1 17 . 1 1 53 53 TYR CB C 53 40.764 40.764 41.778 -1.014 19012 7507 1 17 . 1 1 53 53 TYR H H 53 8.725 8.725 8.125 0.600 19012 7508 1 17 . 1 1 54 54 LYS N N 54 118.766 118.766 118.925 -0.159 19012 7509 1 17 . 1 1 54 54 LYS HA H 54 4.445 4.445 4.695 -0.250 19012 7510 1 17 . 1 1 54 54 LYS CA C 54 52.187 52.187 54.206 -2.019 19012 7511 1 17 . 1 1 54 54 LYS CB C 54 34.819 34.819 37.017 -2.199 19012 7512 1 17 . 1 1 54 54 LYS H H 54 8.972 8.972 8.701 0.271 19012 7513 1 17 . 1 1 55 55 ILE N N 55 122.406 122.406 121.694 0.712 19012 7514 1 17 . 1 1 55 55 ILE HA H 55 4.796 4.796 4.986 -0.190 19012 7515 1 17 . 1 1 55 55 ILE CA C 55 56.172 56.172 59.798 -3.626 19012 7516 1 17 . 1 1 55 55 ILE CB C 55 33.404 33.404 36.792 -3.388 19012 7517 1 17 . 1 1 55 55 ILE H H 55 8.832 8.832 8.553 0.279 19012 7518 1 17 . 1 1 56 56 GLU N N 56 128.507 128.507 126.825 1.682 19012 7519 1 17 . 1 1 56 56 GLU HA H 56 4.575 4.575 4.513 0.062 19012 7520 1 17 . 1 1 56 56 GLU CA C 56 52.300 52.300 56.574 -4.274 19012 7521 1 17 . 1 1 56 56 GLU CB C 56 30.432 30.432 31.379 -0.947 19012 7522 1 17 . 1 1 56 56 GLU H H 56 8.787 8.787 8.973 -0.186 19012 7523 1 17 . 1 1 57 57 GLU N N 57 125.606 125.606 118.632 6.974 19012 7524 1 17 . 1 1 57 57 GLU HA H 57 3.809 3.809 4.382 -0.573 19012 7525 1 17 . 1 1 57 57 GLU CA C 57 54.254 54.254 56.801 -2.547 19012 7526 1 17 . 1 1 57 57 GLU CB C 57 25.445 25.445 30.151 -4.706 19012 7527 1 17 . 1 1 57 57 GLU H H 57 9.296 9.296 8.460 0.836 19012 7528 1 17 . 1 1 58 58 GLY N N 58 103.913 103.913 107.071 -3.158 19012 7529 1 17 . 1 1 58 58 GLY CA C 58 43.401 43.401 46.037 -2.636 19012 7530 1 17 . 1 1 58 58 GLY H H 58 8.267 8.267 8.577 -0.310 19012 7531 1 17 . 1 1 59 59 ARG N N 59 119.125 119.125 117.142 1.983 19012 7532 1 17 . 1 1 59 59 ARG HA H 59 4.787 4.787 4.687 0.100 19012 7533 1 17 . 1 1 59 59 ARG CA C 59 51.812 51.812 53.952 -2.140 19012 7534 1 17 . 1 1 59 59 ARG CB C 59 32.023 32.023 33.681 -1.658 19012 7535 1 17 . 1 1 59 59 ARG H H 59 7.840 7.840 7.536 0.304 19012 7536 1 17 . 1 1 60 60 ILE N N 60 118.464 118.464 118.811 -0.347 19012 7537 1 17 . 1 1 60 60 ILE HA H 60 4.409 4.409 4.428 -0.019 19012 7538 1 17 . 1 1 60 60 ILE CA C 60 58.461 58.461 61.506 -3.045 19012 7539 1 17 . 1 1 60 60 ILE CB C 60 36.943 36.943 38.918 -1.975 19012 7540 1 17 . 1 1 60 60 ILE H H 60 8.150 8.150 8.303 -0.153 19012 7541 1 17 . 1 1 61 61 TYR N N 61 130.267 130.267 127.109 3.158 19012 7542 1 17 . 1 1 61 61 TYR HA H 61 4.399 4.399 4.696 -0.297 19012 7543 1 17 . 1 1 61 61 TYR CA C 61 53.435 53.435 55.469 -2.034 19012 7544 1 17 . 1 1 61 61 TYR CB C 61 37.443 37.443 40.667 -3.224 19012 7545 1 17 . 1 1 61 61 TYR H H 61 9.304 9.304 8.459 0.845 19012 7546 1 17 . 1 1 62 62 ILE N N 62 129.152 129.152 127.227 1.925 19012 7547 1 17 . 1 1 62 62 ILE HA H 62 4.035 4.035 4.334 -0.299 19012 7548 1 17 . 1 1 62 62 ILE CA C 62 55.538 55.538 58.848 -3.310 19012 7549 1 17 . 1 1 62 62 ILE CB C 62 33.654 33.654 39.074 -5.420 19012 7550 1 17 . 1 1 62 62 ILE H H 62 8.326 8.326 8.795 -0.469 19012 7551 1 17 . 1 1 63 63 TYR N N 63 119.836 119.836 121.841 -2.005 19012 7552 1 17 . 1 1 63 63 TYR HA H 63 4.563 4.563 4.492 0.071 19012 7553 1 17 . 1 1 63 63 TYR CA C 63 52.035 52.035 56.700 -4.665 19012 7554 1 17 . 1 1 63 63 TYR CB C 63 36.267 36.267 39.489 -3.222 19012 7555 1 17 . 1 1 63 63 TYR H H 63 8.397 8.397 8.059 0.338 19012 7556 1 17 . 1 1 64 64 ASP N N 64 117.747 117.747 120.696 -2.949 19012 7557 1 17 . 1 1 64 64 ASP HA H 64 4.270 4.270 4.699 -0.429 19012 7558 1 17 . 1 1 64 64 ASP CA C 64 51.384 51.384 54.262 -2.878 19012 7559 1 17 . 1 1 64 64 ASP CB C 64 35.510 35.510 42.605 -7.095 19012 7560 1 17 . 1 1 64 64 ASP H H 64 8.570 8.570 7.429 1.141 19012 7561 1 17 . 1 1 65 65 VAL N N 65 117.619 117.619 123.283 -5.664 19012 7562 1 17 . 1 1 65 65 VAL HA H 65 4.329 4.329 4.922 -0.593 19012 7563 1 17 . 1 1 65 65 VAL CA C 65 61.015 61.015 60.663 0.352 19012 7564 1 17 . 1 1 65 65 VAL CB C 65 29.350 29.350 35.041 -5.691 19012 7565 1 17 . 1 1 65 65 VAL H H 65 8.116 8.116 8.157 -0.041 19012 7566 1 17 . 1 1 66 66 TYR N N 66 127.317 127.317 125.051 2.266 19012 7567 1 17 . 1 1 66 66 TYR HA H 66 4.567 4.567 5.090 -0.523 19012 7568 1 17 . 1 1 66 66 TYR CA C 66 53.116 53.116 55.901 -2.785 19012 7569 1 17 . 1 1 66 66 TYR CB C 66 39.090 39.090 40.587 -1.498 19012 7570 1 17 . 1 1 66 66 TYR H H 66 8.911 8.911 8.502 0.409 19012 7571 1 17 . 1 1 67 67 PRO HA H 67 3.778 3.778 4.384 -0.606 19012 7572 1 17 . 1 1 67 67 PRO CA C 67 60.736 60.736 63.652 -2.916 19012 7573 1 17 . 1 1 67 67 PRO CB C 67 32.039 32.039 31.738 0.301 19012 7574 1 17 . 1 1 68 68 ASP N N 68 122.446 122.446 120.526 1.920 19012 7575 1 17 . 1 1 68 68 ASP HA H 68 4.595 4.595 4.768 -0.173 19012 7576 1 17 . 1 1 68 68 ASP CA C 68 51.405 51.405 53.298 -1.893 19012 7577 1 17 . 1 1 68 68 ASP CB C 68 37.732 37.732 40.968 -3.236 19012 7578 1 17 . 1 1 68 68 ASP H H 68 8.017 8.017 7.876 0.141 19012 7579 1 17 . 1 1 69 69 GLU N N 69 121.842 121.842 121.014 0.828 19012 7580 1 17 . 1 1 69 69 GLU HA H 69 4.167 4.167 4.299 -0.132 19012 7581 1 17 . 1 1 69 69 GLU CA C 69 54.191 54.191 56.613 -2.422 19012 7582 1 17 . 1 1 69 69 GLU CB C 69 27.200 27.200 30.405 -3.205 19012 7583 1 17 . 1 1 69 69 GLU H H 69 8.109 8.109 8.499 -0.390 19012 7584 1 17 . 1 1 70 70 LYS N N 70 121.975 121.975 122.064 -0.089 19012 7585 1 17 . 1 1 70 70 LYS HA H 70 4.532 4.532 4.478 0.054 19012 7586 1 17 . 1 1 70 70 LYS CA C 70 52.097 52.097 54.557 -2.460 19012 7587 1 17 . 1 1 70 70 LYS CB C 70 33.247 33.247 33.834 -0.587 19012 7588 1 17 . 1 1 70 70 LYS H H 70 7.646 7.646 8.353 -0.707 19012 7589 1 17 . 1 1 71 71 THR N N 71 120.177 120.177 117.841 2.336 19012 7590 1 17 . 1 1 71 71 THR HA H 71 4.386 4.386 4.308 0.078 19012 7591 1 17 . 1 1 71 71 THR CA C 71 58.759 58.759 61.145 -2.386 19012 7592 1 17 . 1 1 71 71 THR CB C 71 66.724 66.724 69.315 -2.591 19012 7593 1 17 . 1 1 71 71 THR H H 71 8.258 8.258 8.393 -0.135 19012 7594 1 17 . 1 1 72 72 PRO HA H 72 4.389 4.389 4.242 0.147 19012 7595 1 17 . 1 1 72 72 PRO CA C 72 61.688 61.688 62.952 -1.264 19012 7596 1 17 . 1 1 72 72 PRO CB C 72 31.440 31.440 32.345 -0.905 19012 7597 1 17 . 1 1 73 73 TYR N N 73 118.747 118.747 119.763 -1.016 19012 7598 1 17 . 1 1 73 73 TYR HA H 73 4.857 4.857 4.947 -0.090 19012 7599 1 17 . 1 1 73 73 TYR CA C 73 52.643 52.643 55.141 -2.498 19012 7600 1 17 . 1 1 73 73 TYR CB C 73 37.470 37.470 39.760 -2.290 19012 7601 1 17 . 1 1 73 73 TYR H H 73 7.988 7.988 7.937 0.051 19012 7602 1 17 . 1 1 74 74 TYR N N 74 114.692 114.692 119.029 -4.337 19012 7603 1 17 . 1 1 74 74 TYR HA H 74 5.548 5.548 5.514 0.034 19012 7604 1 17 . 1 1 74 74 TYR CA C 74 53.855 53.855 57.580 -3.725 19012 7605 1 17 . 1 1 74 74 TYR CB C 74 39.316 39.316 40.822 -1.506 19012 7606 1 17 . 1 1 74 74 TYR H H 74 8.370 8.370 8.659 -0.289 19012 7607 1 17 . 1 1 75 75 LEU N N 75 120.717 120.717 123.784 -3.067 19012 7608 1 17 . 1 1 75 75 LEU HA H 75 4.456 4.456 4.630 -0.174 19012 7609 1 17 . 1 1 75 75 LEU CA C 75 50.648 50.648 53.507 -2.859 19012 7610 1 17 . 1 1 75 75 LEU CB C 75 41.979 41.979 44.191 -2.212 19012 7611 1 17 . 1 1 75 75 LEU H H 75 9.467 9.467 8.942 0.525 19012 7612 1 17 . 1 1 76 76 ASP N N 76 123.675 123.675 125.496 -1.821 19012 7613 1 17 . 1 1 76 76 ASP HA H 76 5.041 5.041 4.532 0.509 19012 7614 1 17 . 1 1 76 76 ASP CA C 76 51.324 51.324 56.042 -4.718 19012 7615 1 17 . 1 1 76 76 ASP CB C 76 39.376 39.376 41.142 -1.766 19012 7616 1 17 . 1 1 76 76 ASP H H 76 7.825 7.825 8.824 -0.999 19012 7617 1 17 . 1 1 77 77 CYS N N 77 118.147 118.147 118.483 -0.336 19012 7618 1 17 . 1 1 77 77 CYS HA H 77 5.514 5.514 5.149 0.365 19012 7619 1 17 . 1 1 77 77 CYS CA C 77 53.205 53.205 55.819 -2.614 19012 7620 1 17 . 1 1 77 77 CYS CB C 77 30.347 30.347 32.067 -1.720 19012 7621 1 17 . 1 1 77 77 CYS H H 77 8.504 8.504 8.343 0.161 19012 7622 1 17 . 1 1 78 78 LYS N N 78 119.791 119.791 117.948 1.843 19012 7623 1 17 . 1 1 78 78 LYS HA H 78 4.398 4.398 4.491 -0.093 19012 7624 1 17 . 1 1 78 78 LYS CA C 78 52.033 52.033 54.397 -2.364 19012 7625 1 17 . 1 1 78 78 LYS CB C 78 33.618 33.618 35.297 -1.679 19012 7626 1 17 . 1 1 78 78 LYS H H 78 8.483 8.483 8.455 0.028 19012 7627 1 17 . 1 1 79 79 ILE N N 79 122.179 122.179 118.504 3.675 19012 7628 1 17 . 1 1 79 79 ILE HA H 79 5.410 5.410 4.919 0.491 19012 7629 1 17 . 1 1 79 79 ILE CA C 79 56.581 56.581 59.960 -3.379 19012 7630 1 17 . 1 1 79 79 ILE CB C 79 41.302 41.302 41.770 -0.468 19012 7631 1 17 . 1 1 79 79 ILE H H 79 8.923 8.923 8.588 0.335 19012 7632 1 17 . 1 1 80 80 SER N N 80 122.640 122.640 118.768 3.872 19012 7633 1 17 . 1 1 80 80 SER HA H 80 4.760 4.760 5.191 -0.431 19012 7634 1 17 . 1 1 80 80 SER CB C 80 62.504 62.504 65.804 -3.300 19012 7635 1 17 . 1 1 80 80 SER H H 80 9.150 9.150 8.860 0.290 19012 7636 1 17 . 1 1 81 81 GLY N N 81 111.781 111.781 109.547 2.234 19012 7637 1 17 . 1 1 81 81 GLY CA C 81 44.910 44.910 46.448 -1.538 19012 7638 1 17 . 1 1 81 81 GLY H H 81 8.832 8.832 8.102 0.730 19012 7639 1 17 . 1 1 82 82 THR N N 82 110.902 110.902 110.515 0.387 19012 7640 1 17 . 1 1 82 82 THR HA H 82 4.541 4.541 4.611 -0.070 19012 7641 1 17 . 1 1 82 82 THR CA C 82 58.833 58.833 61.970 -3.137 19012 7642 1 17 . 1 1 82 82 THR H H 82 8.284 8.284 8.005 0.279 19012 7643 1 17 . 1 1 83 83 THR N N 83 119.808 119.808 119.185 0.623 19012 7644 1 17 . 1 1 83 83 THR HA H 83 5.576 5.576 5.248 0.328 19012 7645 1 17 . 1 1 83 83 THR CA C 83 59.711 59.711 62.483 -2.772 19012 7646 1 17 . 1 1 83 83 THR CB C 83 68.486 68.486 70.380 -1.894 19012 7647 1 17 . 1 1 83 83 THR H H 83 8.178 8.178 7.823 0.355 19012 7648 1 17 . 1 1 84 84 LEU N N 84 128.946 128.946 129.606 -0.660 19012 7649 1 17 . 1 1 84 84 LEU HA H 84 4.787 4.787 4.419 0.368 19012 7650 1 17 . 1 1 84 84 LEU CA C 84 50.979 50.979 53.894 -2.914 19012 7651 1 17 . 1 1 84 84 LEU CB C 84 43.114 43.114 43.508 -0.394 19012 7652 1 17 . 1 1 84 84 LEU H H 84 9.103 9.103 9.292 -0.189 19012 7653 1 17 . 1 1 85 85 LYS N N 85 129.439 129.439 127.693 1.746 19012 7654 1 17 . 1 1 85 85 LYS HA H 85 5.220 5.220 4.749 0.471 19012 7655 1 17 . 1 1 85 85 LYS CA C 85 52.028 52.028 54.930 -2.902 19012 7656 1 17 . 1 1 85 85 LYS CB C 85 32.656 32.656 33.752 -1.096 19012 7657 1 17 . 1 1 85 85 LYS H H 85 9.336 9.336 8.615 0.721 19012 7658 1 17 . 1 1 86 86 VAL N N 86 127.719 127.719 127.376 0.343 19012 7659 1 17 . 1 1 86 86 VAL HA H 86 4.279 4.279 3.709 0.570 19012 7660 1 17 . 1 1 86 86 VAL CA C 86 59.179 59.179 62.966 -3.787 19012 7661 1 17 . 1 1 86 86 VAL CB C 86 29.826 29.826 31.956 -2.130 19012 7662 1 17 . 1 1 86 86 VAL H H 86 9.122 9.122 8.219 0.903 19012 7663 1 17 . 1 1 87 87 GLU N N 87 126.504 126.504 126.428 0.076 19012 7664 1 17 . 1 1 87 87 GLU HA H 87 4.215 4.215 4.304 -0.089 19012 7665 1 17 . 1 1 87 87 GLU CA C 87 55.427 55.427 57.523 -2.096 19012 7666 1 17 . 1 1 87 87 GLU CB C 87 29.038 29.038 30.604 -1.566 19012 7667 1 17 . 1 1 87 87 GLU H H 87 8.960 8.960 8.837 0.123 19012 7668 1 17 . 1 1 88 88 THR N N 88 109.146 109.146 112.849 -3.703 19012 7669 1 17 . 1 1 88 88 THR HA H 88 4.560 4.560 4.408 0.152 19012 7670 1 17 . 1 1 88 88 THR CA C 88 57.802 57.802 61.494 -3.692 19012 7671 1 17 . 1 1 88 88 THR CB C 88 69.805 69.805 71.199 -1.394 19012 7672 1 17 . 1 1 88 88 THR H H 88 7.079 7.079 7.421 -0.342 19012 7673 1 17 . 1 1 89 89 GLY N N 89 102.665 102.665 111.169 -8.504 19012 7674 1 17 . 1 1 89 89 GLY CA C 89 42.083 42.083 44.493 -2.410 19012 7675 1 17 . 1 1 89 89 GLY H H 89 7.984 7.984 8.047 -0.063 19012 7676 1 17 . 1 1 90 90 SER N N 90 118.973 118.973 115.881 3.092 19012 7677 1 17 . 1 1 90 90 SER HA H 90 4.103 4.103 4.158 -0.055 19012 7678 1 17 . 1 1 90 90 SER CA C 90 58.840 58.840 60.632 -1.792 19012 7679 1 17 . 1 1 90 90 SER CB C 90 60.079 60.079 62.846 -2.768 19012 7680 1 17 . 1 1 90 90 SER H H 90 8.854 8.854 8.562 0.292 19012 7681 1 17 . 1 1 91 91 GLU N N 91 120.699 120.699 117.984 2.715 19012 7682 1 17 . 1 1 91 91 GLU HA H 91 3.676 3.676 4.504 -0.828 19012 7683 1 17 . 1 1 91 91 GLU CA C 91 54.571 54.571 55.182 -0.611 19012 7684 1 17 . 1 1 91 91 GLU CB C 91 26.627 26.627 29.497 -2.870 19012 7685 1 17 . 1 1 91 91 GLU H H 91 10.220 10.220 8.108 2.112 19012 7686 1 17 . 1 1 92 92 ALA N N 92 121.411 121.411 122.140 -0.729 19012 7687 1 17 . 1 1 92 92 ALA HA H 92 3.691 3.691 4.135 -0.444 19012 7688 1 17 . 1 1 92 92 ALA CA C 92 50.916 50.916 53.001 -2.085 19012 7689 1 17 . 1 1 92 92 ALA CB C 92 16.118 16.118 18.310 -2.192 19012 7690 1 17 . 1 1 92 92 ALA H H 92 7.014 7.014 7.495 -0.481 19012 7691 1 17 . 1 1 93 93 GLY N N 93 109.056 109.056 113.273 -4.217 19012 7692 1 17 . 1 1 93 93 GLY CA C 93 42.601 42.601 45.619 -3.018 19012 7693 1 17 . 1 1 93 93 GLY H H 93 8.706 8.706 8.012 0.694 19012 7694 1 17 . 1 1 94 94 THR N N 94 117.255 117.255 117.590 -0.335 19012 7695 1 17 . 1 1 94 94 THR HA H 94 4.831 4.831 5.500 -0.669 19012 7696 1 17 . 1 1 94 94 THR CA C 94 60.491 60.491 61.117 -0.626 19012 7697 1 17 . 1 1 94 94 THR CB C 94 66.403 66.403 70.010 -3.607 19012 7698 1 17 . 1 1 94 94 THR H H 94 8.637 8.637 8.575 0.062 19012 7699 1 17 . 1 1 95 95 TYR N N 95 127.051 127.051 127.455 -0.404 19012 7700 1 17 . 1 1 95 95 TYR HA H 95 4.564 4.564 5.669 -1.105 19012 7701 1 17 . 1 1 95 95 TYR CA C 95 53.889 53.889 55.043 -1.154 19012 7702 1 17 . 1 1 95 95 TYR CB C 95 39.733 39.733 42.854 -3.121 19012 7703 1 17 . 1 1 95 95 TYR H H 95 10.060 10.060 9.466 0.594 19012 7704 1 17 . 1 1 96 96 LYS N N 96 119.487 119.487 121.241 -1.754 19012 7705 1 17 . 1 1 96 96 LYS HA H 96 5.668 5.668 5.594 0.074 19012 7706 1 17 . 1 1 96 96 LYS CA C 96 50.781 50.781 53.850 -3.069 19012 7707 1 17 . 1 1 96 96 LYS CB C 96 31.840 31.840 35.441 -3.601 19012 7708 1 17 . 1 1 96 96 LYS H H 96 8.960 8.960 9.163 -0.203 19012 7709 1 17 . 1 1 97 97 LYS N N 97 128.866 128.866 126.063 2.803 19012 7710 1 17 . 1 1 97 97 LYS HA H 97 3.701 3.701 3.337 0.364 19012 7711 1 17 . 1 1 97 97 LYS CA C 97 55.022 55.022 57.324 -2.302 19012 7712 1 17 . 1 1 97 97 LYS CB C 97 30.744 30.744 32.410 -1.666 19012 7713 1 17 . 1 1 97 97 LYS H H 97 8.729 8.729 8.773 -0.044 19012 7714 1 17 . 1 1 98 98 GLN N N 98 127.056 127.056 123.173 3.883 19012 7715 1 17 . 1 1 98 98 GLN HA H 98 4.244 4.244 4.448 -0.204 19012 7716 1 17 . 1 1 98 98 GLN CA C 98 52.689 52.689 54.018 -1.329 19012 7717 1 17 . 1 1 98 98 GLN CB C 98 28.065 28.065 29.085 -1.020 19012 7718 1 17 . 1 1 98 98 GLN H H 98 8.992 8.992 8.388 0.604 19012 7719 1 18 . 1 1 2 2 GLU N N 2 119.968 119.968 118.665 1.303 19012 7720 1 18 . 1 1 2 2 GLU HA H 2 4.009 4.009 4.497 -0.488 19012 7721 1 18 . 1 1 2 2 GLU CA C 2 53.190 53.190 55.982 -2.792 19012 7722 1 18 . 1 1 2 2 GLU CB C 2 27.574 27.574 30.637 -3.063 19012 7723 1 18 . 1 1 2 2 GLU H H 2 8.212 8.212 8.371 -0.159 19012 7724 1 18 . 1 1 3 3 ASP N N 3 122.057 122.057 122.643 -0.586 19012 7725 1 18 . 1 1 3 3 ASP HA H 3 4.509 4.509 4.732 -0.223 19012 7726 1 18 . 1 1 3 3 ASP CA C 3 50.691 50.691 53.587 -2.896 19012 7727 1 18 . 1 1 3 3 ASP CB C 3 38.121 38.121 39.593 -1.472 19012 7728 1 18 . 1 1 3 3 ASP H H 3 8.209 8.209 8.571 -0.362 19012 7729 1 18 . 1 1 4 4 TRP N N 4 121.397 121.397 122.578 -1.181 19012 7730 1 18 . 1 1 4 4 TRP HA H 4 4.749 4.749 4.633 0.116 19012 7731 1 18 . 1 1 4 4 TRP CA C 4 53.792 53.792 57.469 -3.677 19012 7732 1 18 . 1 1 4 4 TRP CB C 4 27.994 27.994 30.130 -2.136 19012 7733 1 18 . 1 1 4 4 TRP H H 4 7.614 7.614 8.005 -0.391 19012 7734 1 18 . 1 1 5 5 THR N N 5 117.669 117.669 115.973 1.696 19012 7735 1 18 . 1 1 5 5 THR HA H 5 4.733 4.733 4.490 0.243 19012 7736 1 18 . 1 1 5 5 THR CA C 5 57.170 57.170 61.498 -4.328 19012 7737 1 18 . 1 1 5 5 THR CB C 5 68.444 68.444 69.403 -0.959 19012 7738 1 18 . 1 1 5 5 THR H H 5 9.387 9.387 8.661 0.726 19012 7739 1 18 . 1 1 6 6 GLU N N 6 121.359 121.359 120.185 1.174 19012 7740 1 18 . 1 1 6 6 GLU HA H 6 4.283 4.283 4.122 0.161 19012 7741 1 18 . 1 1 6 6 GLU CA C 6 53.743 53.743 57.504 -3.761 19012 7742 1 18 . 1 1 6 6 GLU CB C 6 28.184 28.184 30.041 -1.857 19012 7743 1 18 . 1 1 6 6 GLU H H 6 8.027 8.027 8.621 -0.594 19012 7744 1 18 . 1 1 7 7 LEU N N 7 126.701 126.701 127.198 -0.497 19012 7745 1 18 . 1 1 7 7 LEU HA H 7 4.217 4.217 4.315 -0.098 19012 7746 1 18 . 1 1 7 7 LEU CA C 7 52.720 52.720 55.618 -2.898 19012 7747 1 18 . 1 1 7 7 LEU CB C 7 40.595 40.595 42.362 -1.767 19012 7748 1 18 . 1 1 7 7 LEU H H 7 8.626 8.626 8.547 0.079 19012 7749 1 18 . 1 1 8 8 ASN N N 8 121.528 121.528 122.336 -0.808 19012 7750 1 18 . 1 1 8 8 ASN HA H 8 4.611 4.611 4.949 -0.338 19012 7751 1 18 . 1 1 8 8 ASN CA C 8 49.652 49.652 52.340 -2.688 19012 7752 1 18 . 1 1 8 8 ASN CB C 8 38.102 38.102 41.222 -3.120 19012 7753 1 18 . 1 1 8 8 ASN H H 8 9.218 9.218 8.508 0.710 19012 7754 1 18 . 1 1 9 9 SER N N 9 109.319 109.319 117.234 -7.915 19012 7755 1 18 . 1 1 9 9 SER HA H 9 4.045 4.045 4.263 -0.218 19012 7756 1 18 . 1 1 9 9 SER CA C 9 58.381 58.381 61.741 -3.360 19012 7757 1 18 . 1 1 9 9 SER CB C 9 60.521 60.521 63.632 -3.111 19012 7758 1 18 . 1 1 9 9 SER H H 9 8.268 8.268 8.801 -0.533 19012 7759 1 18 . 1 1 10 10 ASN N N 10 117.403 117.403 117.446 -0.043 19012 7760 1 18 . 1 1 10 10 ASN HA H 10 4.872 4.872 4.687 0.185 19012 7761 1 18 . 1 1 10 10 ASN CA C 10 52.508 52.508 55.377 -2.869 19012 7762 1 18 . 1 1 10 10 ASN CB C 10 37.905 37.905 38.313 -0.408 19012 7763 1 18 . 1 1 10 10 ASN H H 10 8.610 8.610 8.541 0.069 19012 7764 1 18 . 1 1 11 11 ASN N N 11 119.053 119.053 119.174 -0.121 19012 7765 1 18 . 1 1 11 11 ASN HA H 11 4.396 4.396 4.694 -0.298 19012 7766 1 18 . 1 1 11 11 ASN CA C 11 51.832 51.832 55.461 -3.629 19012 7767 1 18 . 1 1 11 11 ASN CB C 11 34.355 34.355 38.713 -4.358 19012 7768 1 18 . 1 1 11 11 ASN H H 11 8.614 8.614 7.832 0.782 19012 7769 1 18 . 1 1 12 12 ILE N N 12 117.943 117.943 117.447 0.496 19012 7770 1 18 . 1 1 12 12 ILE HA H 12 4.185 4.185 4.275 -0.090 19012 7771 1 18 . 1 1 12 12 ILE CA C 12 55.309 55.309 60.415 -5.106 19012 7772 1 18 . 1 1 12 12 ILE CB C 12 36.651 36.651 38.405 -1.754 19012 7773 1 18 . 1 1 12 12 ILE H H 12 7.041 7.041 7.420 -0.379 19012 7774 1 18 . 1 1 13 13 ILE N N 13 118.354 118.354 119.999 -1.645 19012 7775 1 18 . 1 1 13 13 ILE HA H 13 3.800 3.800 4.156 -0.356 19012 7776 1 18 . 1 1 13 13 ILE CA C 13 58.469 58.469 61.910 -3.441 19012 7777 1 18 . 1 1 13 13 ILE CB C 13 34.584 34.584 36.316 -1.732 19012 7778 1 18 . 1 1 13 13 ILE H H 13 6.635 6.635 7.442 -0.807 19012 7779 1 18 . 1 1 14 14 GLY N N 14 114.150 114.150 113.423 0.727 19012 7780 1 18 . 1 1 14 14 GLY CA C 14 41.496 41.496 44.712 -3.216 19012 7781 1 18 . 1 1 14 14 GLY H H 14 8.842 8.842 8.598 0.244 19012 7782 1 18 . 1 1 15 15 TYR N N 15 119.014 119.014 119.174 -0.160 19012 7783 1 18 . 1 1 15 15 TYR HA H 15 4.961 4.961 5.280 -0.319 19012 7784 1 18 . 1 1 15 15 TYR CA C 15 54.499 54.499 57.127 -2.627 19012 7785 1 18 . 1 1 15 15 TYR CB C 15 38.075 38.075 42.245 -4.170 19012 7786 1 18 . 1 1 15 15 TYR H H 15 8.264 8.264 7.922 0.342 19012 7787 1 18 . 1 1 16 16 TRP N N 16 124.101 124.101 121.271 2.830 19012 7788 1 18 . 1 1 16 16 TRP HA H 16 5.175 5.175 5.383 -0.208 19012 7789 1 18 . 1 1 16 16 TRP CA C 16 52.970 52.970 56.850 -3.880 19012 7790 1 18 . 1 1 16 16 TRP CB C 16 28.341 28.341 32.883 -4.542 19012 7791 1 18 . 1 1 16 16 TRP H H 16 9.497 9.497 9.165 0.332 19012 7792 1 18 . 1 1 17 17 SER N N 17 115.863 115.863 117.035 -1.172 19012 7793 1 18 . 1 1 17 17 SER HA H 17 6.272 6.272 5.973 0.299 19012 7794 1 18 . 1 1 17 17 SER CA C 17 53.039 53.039 55.746 -2.707 19012 7795 1 18 . 1 1 17 17 SER CB C 17 63.415 63.415 65.817 -2.402 19012 7796 1 18 . 1 1 17 17 SER H H 17 9.182 9.182 9.258 -0.076 19012 7797 1 18 . 1 1 18 18 THR N N 18 119.520 119.520 117.684 1.836 19012 7798 1 18 . 1 1 18 18 THR CB C 18 67.199 67.199 69.578 -2.379 19012 7799 1 18 . 1 1 18 18 THR H H 18 8.996 8.996 8.798 0.198 19012 7800 1 18 . 1 1 19 19 GLY N N 19 110.006 110.006 108.533 1.473 19012 7801 1 18 . 1 1 19 19 GLY CA C 19 42.615 42.615 45.034 -2.419 19012 7802 1 18 . 1 1 19 19 GLY H H 19 8.206 8.206 7.308 0.898 19012 7803 1 18 . 1 1 20 20 ILE N N 20 111.313 111.313 112.910 -1.597 19012 7804 1 18 . 1 1 20 20 ILE HA H 20 3.519 3.519 3.965 -0.446 19012 7805 1 18 . 1 1 20 20 ILE CA C 20 57.765 57.765 60.247 -2.482 19012 7806 1 18 . 1 1 20 20 ILE CB C 20 37.839 37.839 38.432 -0.593 19012 7807 1 18 . 1 1 20 20 ILE H H 20 7.953 7.953 8.135 -0.182 19012 7808 1 18 . 1 1 21 21 GLU N N 21 119.547 119.547 120.811 -1.264 19012 7809 1 18 . 1 1 21 21 GLU HA H 21 4.463 4.463 4.654 -0.191 19012 7810 1 18 . 1 1 21 21 GLU CA C 21 52.227 52.227 54.277 -2.050 19012 7811 1 18 . 1 1 21 21 GLU CB C 21 29.468 29.468 33.048 -3.580 19012 7812 1 18 . 1 1 21 21 GLU H H 21 7.514 7.514 7.622 -0.108 19012 7813 1 18 . 1 1 22 22 GLY N N 22 109.534 109.534 109.184 0.350 19012 7814 1 18 . 1 1 22 22 GLY CA C 22 43.582 43.582 47.049 -3.467 19012 7815 1 18 . 1 1 22 22 GLY H H 22 8.457 8.457 8.644 -0.187 19012 7816 1 18 . 1 1 23 23 THR N N 23 124.632 124.632 120.181 4.451 19012 7817 1 18 . 1 1 23 23 THR HA H 23 5.271 5.271 4.950 0.321 19012 7818 1 18 . 1 1 23 23 THR CA C 23 60.060 60.060 61.604 -1.544 19012 7819 1 18 . 1 1 23 23 THR CB C 23 65.680 65.680 69.706 -4.026 19012 7820 1 18 . 1 1 23 23 THR H H 23 8.881 8.881 8.244 0.637 19012 7821 1 18 . 1 1 24 24 HIS N N 24 122.881 122.881 122.899 -0.018 19012 7822 1 18 . 1 1 24 24 HIS HA H 24 4.780 4.780 5.121 -0.341 19012 7823 1 18 . 1 1 24 24 HIS CA C 24 50.970 50.970 53.859 -2.889 19012 7824 1 18 . 1 1 24 24 HIS CB C 24 27.898 27.898 32.738 -4.840 19012 7825 1 18 . 1 1 24 24 HIS H H 24 8.919 8.919 8.844 0.075 19012 7826 1 18 . 1 1 25 25 LYS N N 25 119.738 119.738 119.662 0.076 19012 7827 1 18 . 1 1 25 25 LYS HA H 25 5.437 5.437 5.241 0.196 19012 7828 1 18 . 1 1 25 25 LYS CA C 25 52.650 52.650 55.740 -3.090 19012 7829 1 18 . 1 1 25 25 LYS CB C 25 33.277 33.277 36.255 -2.978 19012 7830 1 18 . 1 1 25 25 LYS H H 25 8.816 8.816 8.881 -0.065 19012 7831 1 18 . 1 1 26 26 LEU N N 26 126.017 126.017 123.820 2.197 19012 7832 1 18 . 1 1 26 26 LEU HA H 26 5.825 5.825 5.541 0.284 19012 7833 1 18 . 1 1 26 26 LEU CA C 26 51.614 51.614 53.104 -1.490 19012 7834 1 18 . 1 1 26 26 LEU CB C 26 44.544 44.544 45.487 -0.943 19012 7835 1 18 . 1 1 26 26 LEU H H 26 9.420 9.420 9.124 0.296 19012 7836 1 18 . 1 1 27 27 LEU N N 27 128.825 128.825 126.449 2.376 19012 7837 1 18 . 1 1 27 27 LEU HA H 27 5.417 5.417 5.298 0.119 19012 7838 1 18 . 1 1 27 27 LEU CA C 27 50.740 50.740 53.254 -2.514 19012 7839 1 18 . 1 1 27 27 LEU CB C 27 44.569 44.569 45.973 -1.404 19012 7840 1 18 . 1 1 27 27 LEU H H 27 9.475 9.475 8.845 0.630 19012 7841 1 18 . 1 1 28 28 SER N N 28 117.701 117.701 113.247 4.454 19012 7842 1 18 . 1 1 28 28 SER HA H 28 5.337 5.337 5.364 -0.027 19012 7843 1 18 . 1 1 28 28 SER CA C 28 53.530 53.530 56.616 -3.086 19012 7844 1 18 . 1 1 28 28 SER CB C 28 63.368 63.368 65.874 -2.506 19012 7845 1 18 . 1 1 28 28 SER H H 28 8.859 8.859 8.143 0.716 19012 7846 1 18 . 1 1 29 29 PHE N N 29 117.319 117.319 117.956 -0.637 19012 7847 1 18 . 1 1 29 29 PHE HA H 29 4.679 4.679 4.832 -0.153 19012 7848 1 18 . 1 1 29 29 PHE CA C 29 54.565 54.565 57.650 -3.085 19012 7849 1 18 . 1 1 29 29 PHE CB C 29 39.104 39.104 43.201 -4.097 19012 7850 1 18 . 1 1 29 29 PHE H H 29 8.401 8.401 8.531 -0.130 19012 7851 1 18 . 1 1 30 30 ASP N N 30 123.741 123.741 123.754 -0.013 19012 7852 1 18 . 1 1 30 30 ASP HA H 30 5.217 5.217 4.964 0.253 19012 7853 1 18 . 1 1 30 30 ASP CA C 30 50.408 50.408 53.662 -3.254 19012 7854 1 18 . 1 1 30 30 ASP CB C 30 41.148 41.148 43.368 -2.220 19012 7855 1 18 . 1 1 30 30 ASP H H 30 9.573 9.573 8.623 0.950 19012 7856 1 18 . 1 1 31 31 GLU N N 31 127.123 127.123 120.712 6.411 19012 7857 1 18 . 1 1 31 31 GLU HA H 31 4.127 4.127 4.337 -0.210 19012 7858 1 18 . 1 1 31 31 GLU CA C 31 56.324 56.324 58.548 -2.224 19012 7859 1 18 . 1 1 31 31 GLU CB C 31 27.283 27.283 29.955 -2.672 19012 7860 1 18 . 1 1 31 31 GLU H H 31 9.718 9.718 8.682 1.036 19012 7861 1 18 . 1 1 32 32 ASP N N 32 119.011 119.011 116.754 2.257 19012 7862 1 18 . 1 1 32 32 ASP HA H 32 4.443 4.443 4.772 -0.329 19012 7863 1 18 . 1 1 32 32 ASP CA C 32 50.919 50.919 54.008 -3.089 19012 7864 1 18 . 1 1 32 32 ASP CB C 32 37.344 37.344 41.966 -4.622 19012 7865 1 18 . 1 1 32 32 ASP H H 32 8.911 8.911 8.327 0.584 19012 7866 1 18 . 1 1 33 33 GLY N N 33 106.215 106.215 108.459 -2.244 19012 7867 1 18 . 1 1 33 33 GLY CA C 33 43.879 43.879 44.742 -0.863 19012 7868 1 18 . 1 1 33 33 GLY H H 33 7.781 7.781 8.125 -0.344 19012 7869 1 18 . 1 1 34 34 THR N N 34 111.570 111.570 112.005 -0.435 19012 7870 1 18 . 1 1 34 34 THR HA H 34 5.474 5.474 4.455 1.019 19012 7871 1 18 . 1 1 34 34 THR CA C 34 57.389 57.389 60.349 -2.960 19012 7872 1 18 . 1 1 34 34 THR CB C 34 69.991 69.991 71.416 -1.425 19012 7873 1 18 . 1 1 34 34 THR H H 34 7.863 7.863 7.681 0.182 19012 7874 1 18 . 1 1 35 35 GLY N N 35 106.781 106.781 107.366 -0.585 19012 7875 1 18 . 1 1 35 35 GLY CA C 35 43.233 43.233 43.054 0.179 19012 7876 1 18 . 1 1 35 35 GLY H H 35 8.235 8.235 8.283 -0.048 19012 7877 1 18 . 1 1 36 36 SER N N 36 113.807 113.807 113.803 0.004 19012 7878 1 18 . 1 1 36 36 SER HA H 36 4.659 4.659 5.068 -0.409 19012 7879 1 18 . 1 1 36 36 SER CA C 36 54.509 54.509 56.402 -1.893 19012 7880 1 18 . 1 1 36 36 SER CB C 36 64.821 64.821 65.776 -0.955 19012 7881 1 18 . 1 1 36 36 SER H H 36 8.182 8.182 8.222 -0.040 19012 7882 1 18 . 1 1 37 37 PHE N N 37 120.041 120.041 125.398 -5.357 19012 7883 1 18 . 1 1 37 37 PHE HA H 37 5.885 5.885 5.361 0.524 19012 7884 1 18 . 1 1 37 37 PHE CA C 37 52.308 52.308 56.174 -3.866 19012 7885 1 18 . 1 1 37 37 PHE CB C 37 41.174 41.174 42.592 -1.417 19012 7886 1 18 . 1 1 37 37 PHE H H 37 8.829 8.829 7.973 0.856 19012 7887 1 18 . 1 1 38 38 GLY N N 38 115.263 115.263 114.197 1.066 19012 7888 1 18 . 1 1 38 38 GLY CA C 38 42.092 42.092 42.993 -0.901 19012 7889 1 18 . 1 1 38 38 GLY H H 38 8.936 8.936 9.146 -0.210 19012 7890 1 18 . 1 1 39 39 ILE N N 39 119.791 119.791 121.650 -1.859 19012 7891 1 18 . 1 1 39 39 ILE HA H 39 4.292 4.292 4.427 -0.135 19012 7892 1 18 . 1 1 39 39 ILE CA C 39 58.280 58.280 60.472 -2.192 19012 7893 1 18 . 1 1 39 39 ILE CB C 39 36.838 36.838 40.503 -3.665 19012 7894 1 18 . 1 1 39 39 ILE H H 39 7.724 7.724 7.875 -0.151 19012 7895 1 18 . 1 1 40 40 TYR N N 40 125.748 125.748 126.134 -0.386 19012 7896 1 18 . 1 1 40 40 TYR HA H 40 4.742 4.742 5.130 -0.388 19012 7897 1 18 . 1 1 40 40 TYR CA C 40 53.881 53.881 56.270 -2.389 19012 7898 1 18 . 1 1 40 40 TYR CB C 40 39.894 39.894 41.554 -1.660 19012 7899 1 18 . 1 1 40 40 TYR H H 40 8.782 8.782 9.292 -0.510 19012 7900 1 18 . 1 1 41 41 SER N N 41 114.721 114.721 119.174 -4.453 19012 7901 1 18 . 1 1 41 41 SER HA H 41 4.689 4.689 4.936 -0.247 19012 7902 1 18 . 1 1 41 41 SER CA C 41 53.337 53.337 58.286 -4.949 19012 7903 1 18 . 1 1 41 41 SER CB C 41 60.205 60.205 63.803 -3.598 19012 7904 1 18 . 1 1 41 41 SER H H 41 8.708 8.708 8.649 0.059 19012 7905 1 18 . 1 1 42 42 ASN N N 42 124.063 124.063 126.653 -2.590 19012 7906 1 18 . 1 1 42 42 ASN HA H 42 4.298 4.298 4.309 -0.011 19012 7907 1 18 . 1 1 42 42 ASN CA C 42 54.083 54.083 57.052 -2.969 19012 7908 1 18 . 1 1 42 42 ASN CB C 42 34.720 34.720 38.206 -3.486 19012 7909 1 18 . 1 1 42 42 ASN H H 42 9.239 9.239 9.345 -0.106 19012 7910 1 18 . 1 1 43 43 ALA N N 43 125.505 125.505 121.889 3.616 19012 7911 1 18 . 1 1 43 43 ALA HA H 43 4.576 4.576 4.804 -0.228 19012 7912 1 18 . 1 1 43 43 ALA CA C 43 50.170 50.170 52.357 -2.187 19012 7913 1 18 . 1 1 43 43 ALA CB C 43 16.678 16.678 20.304 -3.626 19012 7914 1 18 . 1 1 43 43 ALA H H 43 8.468 8.468 8.019 0.449 19012 7915 1 18 . 1 1 44 44 THR N N 44 119.056 119.056 117.119 1.937 19012 7916 1 18 . 1 1 44 44 THR HA H 44 4.550 4.550 4.783 -0.233 19012 7917 1 18 . 1 1 44 44 THR CA C 44 58.028 58.028 59.221 -1.193 19012 7918 1 18 . 1 1 44 44 THR CB C 44 68.176 68.176 70.458 -2.282 19012 7919 1 18 . 1 1 44 44 THR H H 44 8.420 8.420 8.044 0.376 19012 7920 1 18 . 1 1 45 45 PRO HA H 45 3.797 3.797 4.047 -0.250 19012 7921 1 18 . 1 1 45 45 PRO CA C 45 60.280 60.280 63.091 -2.811 19012 7922 1 18 . 1 1 45 45 PRO CB C 45 28.488 28.488 32.053 -3.565 19012 7923 1 18 . 1 1 46 46 ILE N N 46 124.607 124.607 120.908 3.699 19012 7924 1 18 . 1 1 46 46 ILE HA H 46 4.023 4.023 4.329 -0.306 19012 7925 1 18 . 1 1 46 46 ILE CA C 46 58.609 58.609 61.014 -2.405 19012 7926 1 18 . 1 1 46 46 ILE CB C 46 35.652 35.652 38.914 -3.262 19012 7927 1 18 . 1 1 46 46 ILE H H 46 8.998 8.998 8.718 0.280 19012 7928 1 18 . 1 1 47 47 SER N N 47 112.826 112.826 115.833 -3.007 19012 7929 1 18 . 1 1 47 47 SER HA H 47 4.474 4.474 4.659 -0.185 19012 7930 1 18 . 1 1 47 47 SER CA C 47 54.926 54.926 58.035 -3.109 19012 7931 1 18 . 1 1 47 47 SER CB C 47 62.419 62.419 65.159 -2.740 19012 7932 1 18 . 1 1 47 47 SER H H 47 7.439 7.439 7.390 0.049 19012 7933 1 18 . 1 1 48 48 PHE N N 48 123.266 123.266 122.570 0.696 19012 7934 1 18 . 1 1 48 48 PHE HA H 48 5.194 5.194 4.741 0.453 19012 7935 1 18 . 1 1 48 48 PHE CA C 48 55.624 55.624 58.067 -2.443 19012 7936 1 18 . 1 1 48 48 PHE CB C 48 40.000 40.000 41.846 -1.846 19012 7937 1 18 . 1 1 48 48 PHE H H 48 8.238 8.238 8.521 -0.283 19012 7938 1 18 . 1 1 49 49 GLN N N 49 123.564 123.564 124.761 -1.197 19012 7939 1 18 . 1 1 49 49 GLN HA H 49 4.935 4.935 4.715 0.220 19012 7940 1 18 . 1 1 49 49 GLN CA C 49 51.294 51.294 54.322 -3.028 19012 7941 1 18 . 1 1 49 49 GLN CB C 49 29.688 29.688 32.610 -2.922 19012 7942 1 18 . 1 1 49 49 GLN H H 49 8.607 8.607 8.051 0.556 19012 7943 1 18 . 1 1 50 50 MET N N 50 120.626 120.626 119.273 1.353 19012 7944 1 18 . 1 1 50 50 MET HA H 50 4.637 4.637 5.193 -0.556 19012 7945 1 18 . 1 1 50 50 MET CA C 50 51.562 51.562 54.676 -3.115 19012 7946 1 18 . 1 1 50 50 MET CB C 50 33.549 33.549 37.075 -3.526 19012 7947 1 18 . 1 1 50 50 MET H H 50 9.071 9.071 8.293 0.778 19012 7948 1 18 . 1 1 51 51 PHE N N 51 112.996 112.996 117.259 -4.263 19012 7949 1 18 . 1 1 51 51 PHE HA H 51 4.928 4.928 5.369 -0.441 19012 7950 1 18 . 1 1 51 51 PHE CA C 51 53.899 53.899 55.858 -1.959 19012 7951 1 18 . 1 1 51 51 PHE CB C 51 38.018 38.018 41.528 -3.510 19012 7952 1 18 . 1 1 52 52 ASP N N 52 118.727 118.727 120.531 -1.804 19012 7953 1 18 . 1 1 52 52 ASP HA H 52 5.640 5.640 4.618 1.022 19012 7954 1 18 . 1 1 52 52 ASP CA C 52 50.264 50.264 52.361 -2.097 19012 7955 1 18 . 1 1 52 52 ASP CB C 52 38.971 38.971 42.034 -3.063 19012 7956 1 18 . 1 1 52 52 ASP H H 52 8.469 8.469 8.714 -0.245 19012 7957 1 18 . 1 1 53 53 TYR N N 53 115.709 115.709 116.773 -1.064 19012 7958 1 18 . 1 1 53 53 TYR HA H 53 6.351 6.351 5.279 1.072 19012 7959 1 18 . 1 1 53 53 TYR CA C 53 53.296 53.296 57.540 -4.244 19012 7960 1 18 . 1 1 53 53 TYR CB C 53 40.764 40.764 41.281 -0.517 19012 7961 1 18 . 1 1 53 53 TYR H H 53 8.725 8.725 8.192 0.533 19012 7962 1 18 . 1 1 54 54 LYS N N 54 118.766 118.766 123.747 -4.981 19012 7963 1 18 . 1 1 54 54 LYS HA H 54 4.445 4.445 4.303 0.142 19012 7964 1 18 . 1 1 54 54 LYS CA C 54 52.187 52.187 53.984 -1.797 19012 7965 1 18 . 1 1 54 54 LYS CB C 54 34.819 34.819 37.259 -2.440 19012 7966 1 18 . 1 1 54 54 LYS H H 54 8.972 8.972 8.603 0.369 19012 7967 1 18 . 1 1 55 55 ILE N N 55 122.406 122.406 121.621 0.785 19012 7968 1 18 . 1 1 55 55 ILE HA H 55 4.796 4.796 4.823 -0.027 19012 7969 1 18 . 1 1 55 55 ILE CA C 55 56.172 56.172 59.425 -3.253 19012 7970 1 18 . 1 1 55 55 ILE CB C 55 33.404 33.404 37.069 -3.665 19012 7971 1 18 . 1 1 55 55 ILE H H 55 8.832 8.832 8.433 0.399 19012 7972 1 18 . 1 1 56 56 GLU N N 56 128.507 128.507 127.149 1.358 19012 7973 1 18 . 1 1 56 56 GLU HA H 56 4.575 4.575 4.372 0.203 19012 7974 1 18 . 1 1 56 56 GLU CA C 56 52.300 52.300 56.404 -4.104 19012 7975 1 18 . 1 1 56 56 GLU CB C 56 30.432 30.432 30.950 -0.518 19012 7976 1 18 . 1 1 56 56 GLU H H 56 8.787 8.787 9.038 -0.251 19012 7977 1 18 . 1 1 57 57 GLU N N 57 125.606 125.606 118.052 7.554 19012 7978 1 18 . 1 1 57 57 GLU HA H 57 3.809 3.809 4.327 -0.518 19012 7979 1 18 . 1 1 57 57 GLU CA C 57 54.254 54.254 56.580 -2.325 19012 7980 1 18 . 1 1 57 57 GLU CB C 57 25.445 25.445 30.095 -4.650 19012 7981 1 18 . 1 1 57 57 GLU H H 57 9.296 9.296 8.427 0.869 19012 7982 1 18 . 1 1 58 58 GLY N N 58 103.913 103.913 107.544 -3.631 19012 7983 1 18 . 1 1 58 58 GLY CA C 58 43.401 43.401 46.134 -2.733 19012 7984 1 18 . 1 1 58 58 GLY H H 58 8.267 8.267 8.244 0.023 19012 7985 1 18 . 1 1 59 59 ARG N N 59 119.125 119.125 116.780 2.345 19012 7986 1 18 . 1 1 59 59 ARG HA H 59 4.787 4.787 4.692 0.095 19012 7987 1 18 . 1 1 59 59 ARG CA C 59 51.812 51.812 54.353 -2.541 19012 7988 1 18 . 1 1 59 59 ARG CB C 59 32.023 32.023 34.018 -1.995 19012 7989 1 18 . 1 1 59 59 ARG H H 59 7.840 7.840 7.577 0.263 19012 7990 1 18 . 1 1 60 60 ILE N N 60 118.464 118.464 121.576 -3.112 19012 7991 1 18 . 1 1 60 60 ILE HA H 60 4.409 4.409 4.444 -0.035 19012 7992 1 18 . 1 1 60 60 ILE CA C 60 58.461 58.461 61.546 -3.085 19012 7993 1 18 . 1 1 60 60 ILE CB C 60 36.943 36.943 38.166 -1.223 19012 7994 1 18 . 1 1 60 60 ILE H H 60 8.150 8.150 8.372 -0.222 19012 7995 1 18 . 1 1 61 61 TYR N N 61 130.267 130.267 131.080 -0.813 19012 7996 1 18 . 1 1 61 61 TYR HA H 61 4.399 4.399 5.020 -0.621 19012 7997 1 18 . 1 1 61 61 TYR CA C 61 53.435 53.435 56.650 -3.215 19012 7998 1 18 . 1 1 61 61 TYR CB C 61 37.443 37.443 39.435 -1.992 19012 7999 1 18 . 1 1 61 61 TYR H H 61 9.304 9.304 9.239 0.065 19012 8000 1 18 . 1 1 62 62 ILE N N 62 129.152 129.152 127.243 1.909 19012 8001 1 18 . 1 1 62 62 ILE HA H 62 4.035 4.035 4.184 -0.149 19012 8002 1 18 . 1 1 62 62 ILE CA C 62 55.538 55.538 58.550 -3.012 19012 8003 1 18 . 1 1 62 62 ILE CB C 62 33.654 33.654 37.723 -4.069 19012 8004 1 18 . 1 1 62 62 ILE H H 62 8.326 8.326 8.331 -0.005 19012 8005 1 18 . 1 1 63 63 TYR N N 63 119.836 119.836 118.871 0.965 19012 8006 1 18 . 1 1 63 63 TYR HA H 63 4.563 4.563 4.508 0.055 19012 8007 1 18 . 1 1 63 63 TYR CA C 63 52.035 52.035 56.523 -4.488 19012 8008 1 18 . 1 1 63 63 TYR CB C 63 36.267 36.267 40.634 -4.367 19012 8009 1 18 . 1 1 63 63 TYR H H 63 8.397 8.397 9.209 -0.811 19012 8010 1 18 . 1 1 64 64 ASP N N 64 117.747 117.747 120.279 -2.532 19012 8011 1 18 . 1 1 64 64 ASP HA H 64 4.270 4.270 4.709 -0.439 19012 8012 1 18 . 1 1 64 64 ASP CA C 64 51.384 51.384 54.167 -2.783 19012 8013 1 18 . 1 1 64 64 ASP CB C 64 35.510 35.510 43.507 -7.997 19012 8014 1 18 . 1 1 64 64 ASP H H 64 8.570 8.570 7.773 0.797 19012 8015 1 18 . 1 1 65 65 VAL N N 65 117.619 117.619 124.167 -6.548 19012 8016 1 18 . 1 1 65 65 VAL HA H 65 4.329 4.329 5.144 -0.815 19012 8017 1 18 . 1 1 65 65 VAL CA C 65 61.015 61.015 59.640 1.375 19012 8018 1 18 . 1 1 65 65 VAL CB C 65 29.350 29.350 35.782 -6.432 19012 8019 1 18 . 1 1 65 65 VAL H H 65 8.116 8.116 8.235 -0.119 19012 8020 1 18 . 1 1 66 66 TYR N N 66 127.317 127.317 125.538 1.779 19012 8021 1 18 . 1 1 66 66 TYR HA H 66 4.567 4.567 5.145 -0.578 19012 8022 1 18 . 1 1 66 66 TYR CA C 66 53.116 53.116 56.356 -3.240 19012 8023 1 18 . 1 1 66 66 TYR CB C 66 39.090 39.090 40.754 -1.664 19012 8024 1 18 . 1 1 66 66 TYR H H 66 8.911 8.911 8.878 0.033 19012 8025 1 18 . 1 1 67 67 PRO HA H 67 3.778 3.778 4.070 -0.292 19012 8026 1 18 . 1 1 67 67 PRO CA C 67 60.736 60.736 63.365 -2.629 19012 8027 1 18 . 1 1 67 67 PRO CB C 67 32.039 32.039 31.921 0.119 19012 8028 1 18 . 1 1 68 68 ASP N N 68 122.446 122.446 120.584 1.862 19012 8029 1 18 . 1 1 68 68 ASP HA H 68 4.595 4.595 4.729 -0.134 19012 8030 1 18 . 1 1 68 68 ASP CA C 68 51.405 51.405 53.262 -1.857 19012 8031 1 18 . 1 1 68 68 ASP CB C 68 37.732 37.732 42.490 -4.758 19012 8032 1 18 . 1 1 68 68 ASP H H 68 8.017 8.017 7.882 0.135 19012 8033 1 18 . 1 1 69 69 GLU N N 69 121.842 121.842 120.724 1.118 19012 8034 1 18 . 1 1 69 69 GLU HA H 69 4.167 4.167 4.368 -0.201 19012 8035 1 18 . 1 1 69 69 GLU CA C 69 54.191 54.191 56.155 -1.964 19012 8036 1 18 . 1 1 69 69 GLU CB C 69 27.200 27.200 30.706 -3.506 19012 8037 1 18 . 1 1 69 69 GLU H H 69 8.109 8.109 8.456 -0.347 19012 8038 1 18 . 1 1 70 70 LYS N N 70 121.975 121.975 121.337 0.638 19012 8039 1 18 . 1 1 70 70 LYS HA H 70 4.532 4.532 4.485 0.047 19012 8040 1 18 . 1 1 70 70 LYS CA C 70 52.097 52.097 54.515 -2.418 19012 8041 1 18 . 1 1 70 70 LYS CB C 70 33.247 33.247 33.957 -0.710 19012 8042 1 18 . 1 1 70 70 LYS H H 70 7.646 7.646 8.448 -0.802 19012 8043 1 18 . 1 1 71 71 THR N N 71 120.177 120.177 117.195 2.982 19012 8044 1 18 . 1 1 71 71 THR HA H 71 4.386 4.386 4.328 0.058 19012 8045 1 18 . 1 1 71 71 THR CA C 71 58.759 58.759 60.611 -1.851 19012 8046 1 18 . 1 1 71 71 THR CB C 71 66.724 66.724 69.273 -2.549 19012 8047 1 18 . 1 1 71 71 THR H H 71 8.258 8.258 8.427 -0.169 19012 8048 1 18 . 1 1 72 72 PRO HA H 72 4.389 4.389 4.211 0.178 19012 8049 1 18 . 1 1 72 72 PRO CA C 72 61.688 61.688 62.891 -1.202 19012 8050 1 18 . 1 1 72 72 PRO CB C 72 31.440 31.440 32.184 -0.744 19012 8051 1 18 . 1 1 73 73 TYR N N 73 118.747 118.747 119.209 -0.462 19012 8052 1 18 . 1 1 73 73 TYR HA H 73 4.857 4.857 4.678 0.179 19012 8053 1 18 . 1 1 73 73 TYR CA C 73 52.643 52.643 55.612 -2.969 19012 8054 1 18 . 1 1 73 73 TYR CB C 73 37.470 37.470 39.316 -1.846 19012 8055 1 18 . 1 1 73 73 TYR H H 73 7.988 7.988 7.361 0.627 19012 8056 1 18 . 1 1 74 74 TYR N N 74 114.692 114.692 118.808 -4.116 19012 8057 1 18 . 1 1 74 74 TYR HA H 74 5.548 5.548 5.422 0.126 19012 8058 1 18 . 1 1 74 74 TYR CA C 74 53.855 53.855 56.887 -3.032 19012 8059 1 18 . 1 1 74 74 TYR CB C 74 39.316 39.316 39.888 -0.572 19012 8060 1 18 . 1 1 74 74 TYR H H 74 8.370 8.370 8.603 -0.233 19012 8061 1 18 . 1 1 75 75 LEU N N 75 120.717 120.717 126.718 -6.001 19012 8062 1 18 . 1 1 75 75 LEU HA H 75 4.456 4.456 4.481 -0.025 19012 8063 1 18 . 1 1 75 75 LEU CA C 75 50.648 50.648 54.094 -3.446 19012 8064 1 18 . 1 1 75 75 LEU CB C 75 41.979 41.979 42.607 -0.628 19012 8065 1 18 . 1 1 75 75 LEU H H 75 9.467 9.467 9.064 0.403 19012 8066 1 18 . 1 1 76 76 ASP N N 76 123.675 123.675 127.105 -3.430 19012 8067 1 18 . 1 1 76 76 ASP HA H 76 5.041 5.041 4.559 0.482 19012 8068 1 18 . 1 1 76 76 ASP CA C 76 51.324 51.324 56.279 -4.955 19012 8069 1 18 . 1 1 76 76 ASP CB C 76 39.376 39.376 40.619 -1.243 19012 8070 1 18 . 1 1 76 76 ASP H H 76 7.825 7.825 8.832 -1.007 19012 8071 1 18 . 1 1 77 77 CYS N N 77 118.147 118.147 119.234 -1.087 19012 8072 1 18 . 1 1 77 77 CYS HA H 77 5.514 5.514 5.123 0.391 19012 8073 1 18 . 1 1 77 77 CYS CA C 77 53.205 53.205 55.796 -2.591 19012 8074 1 18 . 1 1 77 77 CYS CB C 77 30.347 30.347 31.754 -1.407 19012 8075 1 18 . 1 1 77 77 CYS H H 77 8.504 8.504 8.230 0.274 19012 8076 1 18 . 1 1 78 78 LYS N N 78 119.791 119.791 118.880 0.911 19012 8077 1 18 . 1 1 78 78 LYS HA H 78 4.398 4.398 4.617 -0.219 19012 8078 1 18 . 1 1 78 78 LYS CA C 78 52.033 52.033 55.031 -2.998 19012 8079 1 18 . 1 1 78 78 LYS CB C 78 33.618 33.618 36.254 -2.636 19012 8080 1 18 . 1 1 78 78 LYS H H 78 8.483 8.483 8.519 -0.036 19012 8081 1 18 . 1 1 79 79 ILE N N 79 122.179 122.179 120.902 1.277 19012 8082 1 18 . 1 1 79 79 ILE HA H 79 5.410 5.410 5.090 0.320 19012 8083 1 18 . 1 1 79 79 ILE CA C 79 56.581 56.581 59.994 -3.413 19012 8084 1 18 . 1 1 79 79 ILE CB C 79 41.302 41.302 42.397 -1.095 19012 8085 1 18 . 1 1 79 79 ILE H H 79 8.923 8.923 8.349 0.574 19012 8086 1 18 . 1 1 80 80 SER N N 80 122.640 122.640 120.698 1.942 19012 8087 1 18 . 1 1 80 80 SER HA H 80 4.760 4.760 4.994 -0.234 19012 8088 1 18 . 1 1 80 80 SER CB C 80 62.504 62.504 63.659 -1.155 19012 8089 1 18 . 1 1 80 80 SER H H 80 9.150 9.150 8.648 0.502 19012 8090 1 18 . 1 1 81 81 GLY N N 81 111.781 111.781 110.397 1.384 19012 8091 1 18 . 1 1 81 81 GLY CA C 81 44.910 44.910 45.235 -0.325 19012 8092 1 18 . 1 1 81 81 GLY H H 81 8.832 8.832 8.379 0.453 19012 8093 1 18 . 1 1 82 82 THR N N 82 110.902 110.902 116.763 -5.861 19012 8094 1 18 . 1 1 82 82 THR HA H 82 4.541 4.541 4.301 0.240 19012 8095 1 18 . 1 1 82 82 THR CA C 82 58.833 58.833 63.038 -4.205 19012 8096 1 18 . 1 1 82 82 THR H H 82 8.284 8.284 8.403 -0.119 19012 8097 1 18 . 1 1 83 83 THR N N 83 119.808 119.808 119.703 0.105 19012 8098 1 18 . 1 1 83 83 THR HA H 83 5.576 5.576 5.227 0.349 19012 8099 1 18 . 1 1 83 83 THR CA C 83 59.711 59.711 63.327 -3.616 19012 8100 1 18 . 1 1 83 83 THR CB C 83 68.486 68.486 70.287 -1.801 19012 8101 1 18 . 1 1 83 83 THR H H 83 8.178 8.178 7.838 0.340 19012 8102 1 18 . 1 1 84 84 LEU N N 84 128.946 128.946 129.675 -0.729 19012 8103 1 18 . 1 1 84 84 LEU HA H 84 4.787 4.787 4.511 0.276 19012 8104 1 18 . 1 1 84 84 LEU CA C 84 50.979 50.979 53.664 -2.685 19012 8105 1 18 . 1 1 84 84 LEU CB C 84 43.114 43.114 43.567 -0.453 19012 8106 1 18 . 1 1 84 84 LEU H H 84 9.103 9.103 9.065 0.038 19012 8107 1 18 . 1 1 85 85 LYS N N 85 129.439 129.439 128.136 1.303 19012 8108 1 18 . 1 1 85 85 LYS HA H 85 5.220 5.220 4.878 0.342 19012 8109 1 18 . 1 1 85 85 LYS CA C 85 52.028 52.028 54.517 -2.489 19012 8110 1 18 . 1 1 85 85 LYS CB C 85 32.656 32.656 33.531 -0.875 19012 8111 1 18 . 1 1 85 85 LYS H H 85 9.336 9.336 8.791 0.545 19012 8112 1 18 . 1 1 86 86 VAL N N 86 127.719 127.719 127.981 -0.262 19012 8113 1 18 . 1 1 86 86 VAL HA H 86 4.279 4.279 4.001 0.278 19012 8114 1 18 . 1 1 86 86 VAL CA C 86 59.179 59.179 61.943 -2.764 19012 8115 1 18 . 1 1 86 86 VAL CB C 86 29.826 29.826 32.080 -2.254 19012 8116 1 18 . 1 1 86 86 VAL H H 86 9.122 9.122 8.085 1.037 19012 8117 1 18 . 1 1 87 87 GLU N N 87 126.504 126.504 127.270 -0.766 19012 8118 1 18 . 1 1 87 87 GLU HA H 87 4.215 4.215 4.346 -0.131 19012 8119 1 18 . 1 1 87 87 GLU CA C 87 55.427 55.427 57.368 -1.942 19012 8120 1 18 . 1 1 87 87 GLU CB C 87 29.038 29.038 30.664 -1.626 19012 8121 1 18 . 1 1 87 87 GLU H H 87 8.960 8.960 9.104 -0.144 19012 8122 1 18 . 1 1 88 88 THR N N 88 109.146 109.146 112.596 -3.450 19012 8123 1 18 . 1 1 88 88 THR HA H 88 4.560 4.560 4.464 0.096 19012 8124 1 18 . 1 1 88 88 THR CA C 88 57.802 57.802 61.301 -3.499 19012 8125 1 18 . 1 1 88 88 THR CB C 88 69.805 69.805 71.377 -1.572 19012 8126 1 18 . 1 1 88 88 THR H H 88 7.079 7.079 7.435 -0.356 19012 8127 1 18 . 1 1 89 89 GLY N N 89 102.665 102.665 111.117 -8.452 19012 8128 1 18 . 1 1 89 89 GLY CA C 89 42.083 42.083 44.794 -2.712 19012 8129 1 18 . 1 1 89 89 GLY H H 89 7.984 7.984 7.991 -0.007 19012 8130 1 18 . 1 1 90 90 SER N N 90 118.973 118.973 115.733 3.240 19012 8131 1 18 . 1 1 90 90 SER HA H 90 4.103 4.103 4.161 -0.058 19012 8132 1 18 . 1 1 90 90 SER CA C 90 58.840 58.840 60.399 -1.559 19012 8133 1 18 . 1 1 90 90 SER CB C 90 60.079 60.079 63.296 -3.217 19012 8134 1 18 . 1 1 90 90 SER H H 90 8.854 8.854 8.724 0.130 19012 8135 1 18 . 1 1 91 91 GLU N N 91 120.699 120.699 118.170 2.529 19012 8136 1 18 . 1 1 91 91 GLU HA H 91 3.676 3.676 4.156 -0.480 19012 8137 1 18 . 1 1 91 91 GLU CA C 91 54.571 54.571 55.792 -1.221 19012 8138 1 18 . 1 1 91 91 GLU CB C 91 26.627 26.627 28.784 -2.157 19012 8139 1 18 . 1 1 91 91 GLU H H 91 10.220 10.220 8.218 2.002 19012 8140 1 18 . 1 1 92 92 ALA N N 92 121.411 121.411 123.273 -1.862 19012 8141 1 18 . 1 1 92 92 ALA HA H 92 3.691 3.691 4.117 -0.426 19012 8142 1 18 . 1 1 92 92 ALA CA C 92 50.916 50.916 53.087 -2.171 19012 8143 1 18 . 1 1 92 92 ALA CB C 92 16.118 16.118 18.049 -1.931 19012 8144 1 18 . 1 1 92 92 ALA H H 92 7.014 7.014 7.144 -0.130 19012 8145 1 18 . 1 1 93 93 GLY N N 93 109.056 109.056 112.859 -3.803 19012 8146 1 18 . 1 1 93 93 GLY CA C 93 42.601 42.601 45.557 -2.956 19012 8147 1 18 . 1 1 93 93 GLY H H 93 8.706 8.706 7.960 0.746 19012 8148 1 18 . 1 1 94 94 THR N N 94 117.255 117.255 114.623 2.632 19012 8149 1 18 . 1 1 94 94 THR HA H 94 4.831 4.831 5.046 -0.215 19012 8150 1 18 . 1 1 94 94 THR CA C 94 60.491 60.491 60.731 -0.240 19012 8151 1 18 . 1 1 94 94 THR CB C 94 66.403 66.403 69.926 -3.523 19012 8152 1 18 . 1 1 94 94 THR H H 94 8.637 8.637 8.245 0.392 19012 8153 1 18 . 1 1 95 95 TYR N N 95 127.051 127.051 124.908 2.143 19012 8154 1 18 . 1 1 95 95 TYR HA H 95 4.564 4.564 5.067 -0.503 19012 8155 1 18 . 1 1 95 95 TYR CA C 95 53.889 53.889 57.032 -3.143 19012 8156 1 18 . 1 1 95 95 TYR CB C 95 39.733 39.733 42.791 -3.058 19012 8157 1 18 . 1 1 95 95 TYR H H 95 10.060 10.060 9.028 1.032 19012 8158 1 18 . 1 1 96 96 LYS N N 96 119.487 119.487 120.948 -1.461 19012 8159 1 18 . 1 1 96 96 LYS HA H 96 5.668 5.668 5.730 -0.062 19012 8160 1 18 . 1 1 96 96 LYS CA C 96 50.781 50.781 53.621 -2.840 19012 8161 1 18 . 1 1 96 96 LYS CB C 96 31.840 31.840 35.712 -3.872 19012 8162 1 18 . 1 1 96 96 LYS H H 96 8.960 8.960 9.410 -0.450 19012 8163 1 18 . 1 1 97 97 LYS N N 97 128.866 128.866 123.791 5.075 19012 8164 1 18 . 1 1 97 97 LYS HA H 97 3.701 3.701 3.756 -0.055 19012 8165 1 18 . 1 1 97 97 LYS CA C 97 55.022 55.022 57.404 -2.382 19012 8166 1 18 . 1 1 97 97 LYS CB C 97 30.744 30.744 32.664 -1.920 19012 8167 1 18 . 1 1 97 97 LYS H H 97 8.729 8.729 8.555 0.174 19012 8168 1 18 . 1 1 98 98 GLN N N 98 127.056 127.056 126.842 0.214 19012 8169 1 18 . 1 1 98 98 GLN HA H 98 4.244 4.244 4.536 -0.292 19012 8170 1 18 . 1 1 98 98 GLN CA C 98 52.689 52.689 54.469 -1.780 19012 8171 1 18 . 1 1 98 98 GLN CB C 98 28.065 28.065 28.870 -0.805 19012 8172 1 18 . 1 1 98 98 GLN H H 98 8.992 8.992 8.400 0.592 19012 8173 1 19 . 1 1 2 2 GLU N N 2 119.968 119.968 121.719 -1.751 19012 8174 1 19 . 1 1 2 2 GLU HA H 2 4.009 4.009 4.521 -0.512 19012 8175 1 19 . 1 1 2 2 GLU CA C 2 53.190 53.190 55.802 -2.612 19012 8176 1 19 . 1 1 2 2 GLU CB C 2 27.574 27.574 31.822 -4.248 19012 8177 1 19 . 1 1 2 2 GLU H H 2 8.212 8.212 8.484 -0.272 19012 8178 1 19 . 1 1 3 3 ASP N N 3 122.057 122.057 122.494 -0.437 19012 8179 1 19 . 1 1 3 3 ASP HA H 3 4.509 4.509 4.824 -0.315 19012 8180 1 19 . 1 1 3 3 ASP CA C 3 50.691 50.691 53.695 -3.004 19012 8181 1 19 . 1 1 3 3 ASP CB C 3 38.121 38.121 40.606 -2.485 19012 8182 1 19 . 1 1 3 3 ASP H H 3 8.209 8.209 8.479 -0.270 19012 8183 1 19 . 1 1 4 4 TRP N N 4 121.397 121.397 123.025 -1.628 19012 8184 1 19 . 1 1 4 4 TRP HA H 4 4.749 4.749 4.996 -0.247 19012 8185 1 19 . 1 1 4 4 TRP CA C 4 53.792 53.792 56.426 -2.634 19012 8186 1 19 . 1 1 4 4 TRP CB C 4 27.994 27.994 31.314 -3.320 19012 8187 1 19 . 1 1 4 4 TRP H H 4 7.614 7.614 8.255 -0.641 19012 8188 1 19 . 1 1 5 5 THR N N 5 117.669 117.669 117.247 0.422 19012 8189 1 19 . 1 1 5 5 THR HA H 5 4.733 4.733 4.469 0.264 19012 8190 1 19 . 1 1 5 5 THR CA C 5 57.170 57.170 61.894 -4.724 19012 8191 1 19 . 1 1 5 5 THR CB C 5 68.444 68.444 69.188 -0.744 19012 8192 1 19 . 1 1 5 5 THR H H 5 9.387 9.387 8.769 0.618 19012 8193 1 19 . 1 1 6 6 GLU N N 6 121.359 121.359 120.958 0.401 19012 8194 1 19 . 1 1 6 6 GLU HA H 6 4.283 4.283 4.274 0.009 19012 8195 1 19 . 1 1 6 6 GLU CA C 6 53.743 53.743 56.434 -2.691 19012 8196 1 19 . 1 1 6 6 GLU CB C 6 28.184 28.184 29.860 -1.676 19012 8197 1 19 . 1 1 6 6 GLU H H 6 8.027 8.027 8.580 -0.553 19012 8198 1 19 . 1 1 7 7 LEU N N 7 126.701 126.701 126.004 0.697 19012 8199 1 19 . 1 1 7 7 LEU HA H 7 4.217 4.217 4.312 -0.095 19012 8200 1 19 . 1 1 7 7 LEU CA C 7 52.720 52.720 55.473 -2.753 19012 8201 1 19 . 1 1 7 7 LEU CB C 7 40.595 40.595 42.467 -1.872 19012 8202 1 19 . 1 1 7 7 LEU H H 7 8.626 8.626 8.530 0.096 19012 8203 1 19 . 1 1 8 8 ASN N N 8 121.528 121.528 123.135 -1.607 19012 8204 1 19 . 1 1 8 8 ASN HA H 8 4.611 4.611 5.060 -0.449 19012 8205 1 19 . 1 1 8 8 ASN CA C 8 49.652 49.652 52.278 -2.626 19012 8206 1 19 . 1 1 8 8 ASN CB C 8 38.102 38.102 41.717 -3.615 19012 8207 1 19 . 1 1 8 8 ASN H H 8 9.218 9.218 8.605 0.613 19012 8208 1 19 . 1 1 9 9 SER N N 9 109.319 109.319 115.365 -6.046 19012 8209 1 19 . 1 1 9 9 SER HA H 9 4.045 4.045 4.412 -0.367 19012 8210 1 19 . 1 1 9 9 SER CA C 9 58.381 58.381 59.325 -0.944 19012 8211 1 19 . 1 1 9 9 SER CB C 9 60.521 60.521 61.853 -1.332 19012 8212 1 19 . 1 1 9 9 SER H H 9 8.268 8.268 8.853 -0.585 19012 8213 1 19 . 1 1 10 10 ASN N N 10 117.403 117.403 117.448 -0.045 19012 8214 1 19 . 1 1 10 10 ASN HA H 10 4.872 4.872 4.922 -0.050 19012 8215 1 19 . 1 1 10 10 ASN CA C 10 52.508 52.508 54.448 -1.940 19012 8216 1 19 . 1 1 10 10 ASN CB C 10 37.905 37.905 39.276 -1.371 19012 8217 1 19 . 1 1 10 10 ASN H H 10 8.610 8.610 8.131 0.479 19012 8218 1 19 . 1 1 11 11 ASN N N 11 119.053 119.053 119.018 0.035 19012 8219 1 19 . 1 1 11 11 ASN HA H 11 4.396 4.396 4.589 -0.193 19012 8220 1 19 . 1 1 11 11 ASN CA C 11 51.832 51.832 54.882 -3.050 19012 8221 1 19 . 1 1 11 11 ASN CB C 11 34.355 34.355 37.523 -3.168 19012 8222 1 19 . 1 1 11 11 ASN H H 11 8.614 8.614 8.420 0.194 19012 8223 1 19 . 1 1 12 12 ILE N N 12 117.943 117.943 118.477 -0.534 19012 8224 1 19 . 1 1 12 12 ILE HA H 12 4.185 4.185 4.438 -0.253 19012 8225 1 19 . 1 1 12 12 ILE CA C 12 55.309 55.309 61.826 -6.517 19012 8226 1 19 . 1 1 12 12 ILE CB C 12 36.651 36.651 39.001 -2.350 19012 8227 1 19 . 1 1 12 12 ILE H H 12 7.041 7.041 7.396 -0.355 19012 8228 1 19 . 1 1 13 13 ILE N N 13 118.354 118.354 120.870 -2.516 19012 8229 1 19 . 1 1 13 13 ILE HA H 13 3.800 3.800 4.256 -0.456 19012 8230 1 19 . 1 1 13 13 ILE CA C 13 58.469 58.469 61.092 -2.623 19012 8231 1 19 . 1 1 13 13 ILE CB C 13 34.584 34.584 35.060 -0.476 19012 8232 1 19 . 1 1 13 13 ILE H H 13 6.635 6.635 7.491 -0.856 19012 8233 1 19 . 1 1 14 14 GLY N N 14 114.150 114.150 115.016 -0.866 19012 8234 1 19 . 1 1 14 14 GLY CA C 14 41.496 41.496 45.076 -3.580 19012 8235 1 19 . 1 1 14 14 GLY H H 14 8.842 8.842 8.513 0.329 19012 8236 1 19 . 1 1 15 15 TYR N N 15 119.014 119.014 119.115 -0.101 19012 8237 1 19 . 1 1 15 15 TYR HA H 15 4.961 4.961 5.076 -0.115 19012 8238 1 19 . 1 1 15 15 TYR CA C 15 54.499 54.499 57.617 -3.118 19012 8239 1 19 . 1 1 15 15 TYR CB C 15 38.075 38.075 41.740 -3.665 19012 8240 1 19 . 1 1 15 15 TYR H H 15 8.264 8.264 7.782 0.482 19012 8241 1 19 . 1 1 16 16 TRP N N 16 124.101 124.101 119.544 4.557 19012 8242 1 19 . 1 1 16 16 TRP HA H 16 5.175 5.175 5.395 -0.220 19012 8243 1 19 . 1 1 16 16 TRP CA C 16 52.970 52.970 56.812 -3.842 19012 8244 1 19 . 1 1 16 16 TRP CB C 16 28.341 28.341 33.424 -5.083 19012 8245 1 19 . 1 1 16 16 TRP H H 16 9.497 9.497 8.833 0.664 19012 8246 1 19 . 1 1 17 17 SER N N 17 115.863 115.863 116.267 -0.404 19012 8247 1 19 . 1 1 17 17 SER HA H 17 6.272 6.272 5.470 0.802 19012 8248 1 19 . 1 1 17 17 SER CA C 17 53.039 53.039 56.081 -3.042 19012 8249 1 19 . 1 1 17 17 SER CB C 17 63.415 63.415 65.591 -2.176 19012 8250 1 19 . 1 1 17 17 SER H H 17 9.182 9.182 9.239 -0.057 19012 8251 1 19 . 1 1 18 18 THR N N 18 119.520 119.520 117.711 1.809 19012 8252 1 19 . 1 1 18 18 THR CB C 18 67.199 67.199 69.882 -2.683 19012 8253 1 19 . 1 1 18 18 THR H H 18 8.996 8.996 8.884 0.112 19012 8254 1 19 . 1 1 19 19 GLY N N 19 110.006 110.006 108.709 1.297 19012 8255 1 19 . 1 1 19 19 GLY CA C 19 42.615 42.615 45.275 -2.660 19012 8256 1 19 . 1 1 19 19 GLY H H 19 8.206 8.206 7.300 0.906 19012 8257 1 19 . 1 1 20 20 ILE N N 20 111.313 111.313 112.722 -1.409 19012 8258 1 19 . 1 1 20 20 ILE HA H 20 3.519 3.519 3.750 -0.231 19012 8259 1 19 . 1 1 20 20 ILE CA C 20 57.765 57.765 60.296 -2.531 19012 8260 1 19 . 1 1 20 20 ILE CB C 20 37.839 37.839 38.280 -0.441 19012 8261 1 19 . 1 1 20 20 ILE H H 20 7.953 7.953 8.179 -0.226 19012 8262 1 19 . 1 1 21 21 GLU N N 21 119.547 119.547 119.806 -0.259 19012 8263 1 19 . 1 1 21 21 GLU HA H 21 4.463 4.463 4.841 -0.378 19012 8264 1 19 . 1 1 21 21 GLU CA C 21 52.227 52.227 54.592 -2.365 19012 8265 1 19 . 1 1 21 21 GLU CB C 21 29.468 29.468 31.383 -1.915 19012 8266 1 19 . 1 1 21 21 GLU H H 21 7.514 7.514 7.592 -0.078 19012 8267 1 19 . 1 1 22 22 GLY N N 22 109.534 109.534 108.776 0.758 19012 8268 1 19 . 1 1 22 22 GLY CA C 22 43.582 43.582 47.071 -3.489 19012 8269 1 19 . 1 1 22 22 GLY H H 22 8.457 8.457 8.689 -0.232 19012 8270 1 19 . 1 1 23 23 THR N N 23 124.632 124.632 119.433 5.199 19012 8271 1 19 . 1 1 23 23 THR HA H 23 5.271 5.271 4.897 0.374 19012 8272 1 19 . 1 1 23 23 THR CA C 23 60.060 60.060 61.253 -1.193 19012 8273 1 19 . 1 1 23 23 THR CB C 23 65.680 65.680 70.716 -5.035 19012 8274 1 19 . 1 1 23 23 THR H H 23 8.881 8.881 8.260 0.621 19012 8275 1 19 . 1 1 24 24 HIS N N 24 122.881 122.881 122.533 0.348 19012 8276 1 19 . 1 1 24 24 HIS HA H 24 4.780 4.780 5.050 -0.270 19012 8277 1 19 . 1 1 24 24 HIS CA C 24 50.970 50.970 54.001 -3.031 19012 8278 1 19 . 1 1 24 24 HIS CB C 24 27.898 27.898 32.463 -4.565 19012 8279 1 19 . 1 1 24 24 HIS H H 24 8.919 8.919 8.055 0.864 19012 8280 1 19 . 1 1 25 25 LYS N N 25 119.738 119.738 120.163 -0.425 19012 8281 1 19 . 1 1 25 25 LYS HA H 25 5.437 5.437 5.124 0.313 19012 8282 1 19 . 1 1 25 25 LYS CA C 25 52.650 52.650 55.630 -2.980 19012 8283 1 19 . 1 1 25 25 LYS CB C 25 33.277 33.277 35.971 -2.694 19012 8284 1 19 . 1 1 25 25 LYS H H 25 8.816 8.816 8.852 -0.036 19012 8285 1 19 . 1 1 26 26 LEU N N 26 126.017 126.017 123.656 2.361 19012 8286 1 19 . 1 1 26 26 LEU HA H 26 5.825 5.825 5.495 0.330 19012 8287 1 19 . 1 1 26 26 LEU CA C 26 51.614 51.614 52.831 -1.218 19012 8288 1 19 . 1 1 26 26 LEU CB C 26 44.544 44.544 46.202 -1.658 19012 8289 1 19 . 1 1 26 26 LEU H H 26 9.420 9.420 8.804 0.616 19012 8290 1 19 . 1 1 27 27 LEU N N 27 128.825 128.825 123.748 5.077 19012 8291 1 19 . 1 1 27 27 LEU HA H 27 5.417 5.417 5.224 0.193 19012 8292 1 19 . 1 1 27 27 LEU CA C 27 50.740 50.740 53.561 -2.821 19012 8293 1 19 . 1 1 27 27 LEU CB C 27 44.569 44.569 46.773 -2.204 19012 8294 1 19 . 1 1 27 27 LEU H H 27 9.475 9.475 8.346 1.129 19012 8295 1 19 . 1 1 28 28 SER N N 28 117.701 117.701 112.870 4.831 19012 8296 1 19 . 1 1 28 28 SER HA H 28 5.337 5.337 5.278 0.059 19012 8297 1 19 . 1 1 28 28 SER CA C 28 53.530 53.530 56.722 -3.192 19012 8298 1 19 . 1 1 28 28 SER CB C 28 63.368 63.368 66.129 -2.761 19012 8299 1 19 . 1 1 28 28 SER H H 28 8.859 8.859 8.288 0.571 19012 8300 1 19 . 1 1 29 29 PHE N N 29 117.319 117.319 119.308 -1.989 19012 8301 1 19 . 1 1 29 29 PHE HA H 29 4.679 4.679 4.655 0.024 19012 8302 1 19 . 1 1 29 29 PHE CA C 29 54.565 54.565 57.682 -3.117 19012 8303 1 19 . 1 1 29 29 PHE CB C 29 39.104 39.104 42.595 -3.491 19012 8304 1 19 . 1 1 29 29 PHE H H 29 8.401 8.401 8.635 -0.234 19012 8305 1 19 . 1 1 30 30 ASP N N 30 123.741 123.741 122.801 0.940 19012 8306 1 19 . 1 1 30 30 ASP HA H 30 5.217 5.217 4.883 0.334 19012 8307 1 19 . 1 1 30 30 ASP CA C 30 50.408 50.408 52.963 -2.555 19012 8308 1 19 . 1 1 30 30 ASP CB C 30 41.148 41.148 43.545 -2.397 19012 8309 1 19 . 1 1 30 30 ASP H H 30 9.573 9.573 8.545 1.028 19012 8310 1 19 . 1 1 31 31 GLU N N 31 127.123 127.123 120.029 7.094 19012 8311 1 19 . 1 1 31 31 GLU HA H 31 4.127 4.127 4.292 -0.165 19012 8312 1 19 . 1 1 31 31 GLU CA C 31 56.324 56.324 59.027 -2.703 19012 8313 1 19 . 1 1 31 31 GLU CB C 31 27.283 27.283 30.262 -2.979 19012 8314 1 19 . 1 1 31 31 GLU H H 31 9.718 9.718 8.531 1.187 19012 8315 1 19 . 1 1 32 32 ASP N N 32 119.011 119.011 116.241 2.770 19012 8316 1 19 . 1 1 32 32 ASP HA H 32 4.443 4.443 4.781 -0.338 19012 8317 1 19 . 1 1 32 32 ASP CA C 32 50.919 50.919 54.170 -3.251 19012 8318 1 19 . 1 1 32 32 ASP CB C 32 37.344 37.344 42.422 -5.077 19012 8319 1 19 . 1 1 32 32 ASP H H 32 8.911 8.911 8.169 0.742 19012 8320 1 19 . 1 1 33 33 GLY N N 33 106.215 106.215 109.145 -2.930 19012 8321 1 19 . 1 1 33 33 GLY CA C 33 43.879 43.879 44.877 -0.998 19012 8322 1 19 . 1 1 33 33 GLY H H 33 7.781 7.781 8.026 -0.245 19012 8323 1 19 . 1 1 34 34 THR N N 34 111.570 111.570 113.561 -1.991 19012 8324 1 19 . 1 1 34 34 THR HA H 34 5.474 5.474 4.617 0.857 19012 8325 1 19 . 1 1 34 34 THR CA C 34 57.389 57.389 60.107 -2.718 19012 8326 1 19 . 1 1 34 34 THR CB C 34 69.991 69.991 71.776 -1.786 19012 8327 1 19 . 1 1 34 34 THR H H 34 7.863 7.863 8.203 -0.340 19012 8328 1 19 . 1 1 35 35 GLY N N 35 106.781 106.781 108.380 -1.599 19012 8329 1 19 . 1 1 35 35 GLY CA C 35 43.233 43.233 44.223 -0.990 19012 8330 1 19 . 1 1 35 35 GLY H H 35 8.235 8.235 8.497 -0.262 19012 8331 1 19 . 1 1 36 36 SER N N 36 113.807 113.807 114.111 -0.304 19012 8332 1 19 . 1 1 36 36 SER HA H 36 4.659 4.659 5.134 -0.475 19012 8333 1 19 . 1 1 36 36 SER CA C 36 54.509 54.509 57.248 -2.739 19012 8334 1 19 . 1 1 36 36 SER CB C 36 64.821 64.821 67.300 -2.479 19012 8335 1 19 . 1 1 36 36 SER H H 36 8.182 8.182 8.219 -0.037 19012 8336 1 19 . 1 1 37 37 PHE N N 37 120.041 120.041 120.879 -0.838 19012 8337 1 19 . 1 1 37 37 PHE HA H 37 5.885 5.885 5.190 0.695 19012 8338 1 19 . 1 1 37 37 PHE CA C 37 52.308 52.308 55.931 -3.623 19012 8339 1 19 . 1 1 37 37 PHE CB C 37 41.174 41.174 43.225 -2.051 19012 8340 1 19 . 1 1 37 37 PHE H H 37 8.829 8.829 8.106 0.723 19012 8341 1 19 . 1 1 38 38 GLY N N 38 115.263 115.263 109.701 5.562 19012 8342 1 19 . 1 1 38 38 GLY CA C 38 42.092 42.092 44.036 -1.944 19012 8343 1 19 . 1 1 38 38 GLY H H 38 8.936 8.936 8.480 0.456 19012 8344 1 19 . 1 1 39 39 ILE N N 39 119.791 119.791 120.580 -0.789 19012 8345 1 19 . 1 1 39 39 ILE HA H 39 4.292 4.292 4.679 -0.387 19012 8346 1 19 . 1 1 39 39 ILE CA C 39 58.280 58.280 60.243 -1.963 19012 8347 1 19 . 1 1 39 39 ILE CB C 39 36.838 36.838 41.518 -4.680 19012 8348 1 19 . 1 1 39 39 ILE H H 39 7.724 7.724 7.633 0.091 19012 8349 1 19 . 1 1 40 40 TYR N N 40 125.748 125.748 124.614 1.134 19012 8350 1 19 . 1 1 40 40 TYR HA H 40 4.742 4.742 5.147 -0.405 19012 8351 1 19 . 1 1 40 40 TYR CA C 40 53.881 53.881 56.082 -2.201 19012 8352 1 19 . 1 1 40 40 TYR CB C 40 39.894 39.894 41.929 -2.035 19012 8353 1 19 . 1 1 40 40 TYR H H 40 8.782 8.782 9.072 -0.290 19012 8354 1 19 . 1 1 41 41 SER N N 41 114.721 114.721 116.612 -1.891 19012 8355 1 19 . 1 1 41 41 SER HA H 41 4.689 4.689 4.923 -0.234 19012 8356 1 19 . 1 1 41 41 SER CA C 41 53.337 53.337 57.028 -3.691 19012 8357 1 19 . 1 1 41 41 SER CB C 41 60.205 60.205 64.912 -4.707 19012 8358 1 19 . 1 1 41 41 SER H H 41 8.708 8.708 8.801 -0.093 19012 8359 1 19 . 1 1 42 42 ASN N N 42 124.063 124.063 125.363 -1.300 19012 8360 1 19 . 1 1 42 42 ASN HA H 42 4.298 4.298 4.360 -0.062 19012 8361 1 19 . 1 1 42 42 ASN CA C 42 54.083 54.083 56.828 -2.745 19012 8362 1 19 . 1 1 42 42 ASN CB C 42 34.720 34.720 38.343 -3.623 19012 8363 1 19 . 1 1 42 42 ASN H H 42 9.239 9.239 9.223 0.016 19012 8364 1 19 . 1 1 43 43 ALA N N 43 125.505 125.505 123.566 1.939 19012 8365 1 19 . 1 1 43 43 ALA HA H 43 4.576 4.576 4.869 -0.293 19012 8366 1 19 . 1 1 43 43 ALA CA C 43 50.170 50.170 52.244 -2.074 19012 8367 1 19 . 1 1 43 43 ALA CB C 43 16.678 16.678 20.200 -3.522 19012 8368 1 19 . 1 1 43 43 ALA H H 43 8.468 8.468 7.911 0.557 19012 8369 1 19 . 1 1 44 44 THR N N 44 119.056 119.056 116.203 2.853 19012 8370 1 19 . 1 1 44 44 THR HA H 44 4.550 4.550 4.723 -0.173 19012 8371 1 19 . 1 1 44 44 THR CA C 44 58.028 58.028 60.400 -2.372 19012 8372 1 19 . 1 1 44 44 THR CB C 44 68.176 68.176 70.715 -2.539 19012 8373 1 19 . 1 1 44 44 THR H H 44 8.420 8.420 8.215 0.205 19012 8374 1 19 . 1 1 45 45 PRO HA H 45 3.797 3.797 3.767 0.030 19012 8375 1 19 . 1 1 45 45 PRO CA C 45 60.280 60.280 62.775 -2.495 19012 8376 1 19 . 1 1 45 45 PRO CB C 45 28.488 28.488 31.824 -3.336 19012 8377 1 19 . 1 1 46 46 ILE N N 46 124.607 124.607 120.946 3.661 19012 8378 1 19 . 1 1 46 46 ILE HA H 46 4.023 4.023 4.302 -0.279 19012 8379 1 19 . 1 1 46 46 ILE CA C 46 58.609 58.609 60.911 -2.303 19012 8380 1 19 . 1 1 46 46 ILE CB C 46 35.652 35.652 38.846 -3.195 19012 8381 1 19 . 1 1 46 46 ILE H H 46 8.998 8.998 8.679 0.319 19012 8382 1 19 . 1 1 47 47 SER N N 47 112.826 112.826 115.507 -2.681 19012 8383 1 19 . 1 1 47 47 SER HA H 47 4.474 4.474 4.701 -0.227 19012 8384 1 19 . 1 1 47 47 SER CA C 47 54.926 54.926 57.763 -2.837 19012 8385 1 19 . 1 1 47 47 SER CB C 47 62.419 62.419 65.089 -2.670 19012 8386 1 19 . 1 1 47 47 SER H H 47 7.439 7.439 7.482 -0.043 19012 8387 1 19 . 1 1 48 48 PHE N N 48 123.266 123.266 120.856 2.410 19012 8388 1 19 . 1 1 48 48 PHE HA H 48 5.194 5.194 5.033 0.161 19012 8389 1 19 . 1 1 48 48 PHE CA C 48 55.624 55.624 57.851 -2.227 19012 8390 1 19 . 1 1 48 48 PHE CB C 48 40.000 40.000 42.407 -2.407 19012 8391 1 19 . 1 1 48 48 PHE H H 48 8.238 8.238 8.235 0.003 19012 8392 1 19 . 1 1 49 49 GLN N N 49 123.564 123.564 120.596 2.968 19012 8393 1 19 . 1 1 49 49 GLN HA H 49 4.935 4.935 4.727 0.208 19012 8394 1 19 . 1 1 49 49 GLN CA C 49 51.294 51.294 54.807 -3.513 19012 8395 1 19 . 1 1 49 49 GLN CB C 49 29.688 29.688 31.668 -1.980 19012 8396 1 19 . 1 1 49 49 GLN H H 49 8.607 8.607 7.997 0.610 19012 8397 1 19 . 1 1 50 50 MET N N 50 120.626 120.626 119.252 1.374 19012 8398 1 19 . 1 1 50 50 MET HA H 50 4.637 4.637 5.187 -0.550 19012 8399 1 19 . 1 1 50 50 MET CA C 50 51.562 51.562 55.044 -3.482 19012 8400 1 19 . 1 1 50 50 MET CB C 50 33.549 33.549 37.408 -3.859 19012 8401 1 19 . 1 1 50 50 MET H H 50 9.071 9.071 8.434 0.637 19012 8402 1 19 . 1 1 51 51 PHE N N 51 112.996 112.996 118.439 -5.443 19012 8403 1 19 . 1 1 51 51 PHE HA H 51 4.928 4.928 5.398 -0.470 19012 8404 1 19 . 1 1 51 51 PHE CA C 51 53.899 53.899 54.497 -0.598 19012 8405 1 19 . 1 1 51 51 PHE CB C 51 38.018 38.018 41.273 -3.256 19012 8406 1 19 . 1 1 52 52 ASP N N 52 118.727 118.727 121.678 -2.951 19012 8407 1 19 . 1 1 52 52 ASP HA H 52 5.640 5.640 4.840 0.800 19012 8408 1 19 . 1 1 52 52 ASP CA C 52 50.264 50.264 53.094 -2.830 19012 8409 1 19 . 1 1 52 52 ASP CB C 52 38.971 38.971 44.169 -5.198 19012 8410 1 19 . 1 1 52 52 ASP H H 52 8.469 8.469 8.411 0.058 19012 8411 1 19 . 1 1 53 53 TYR N N 53 115.709 115.709 115.430 0.279 19012 8412 1 19 . 1 1 53 53 TYR HA H 53 6.351 6.351 5.544 0.807 19012 8413 1 19 . 1 1 53 53 TYR CA C 53 53.296 53.296 55.674 -2.378 19012 8414 1 19 . 1 1 53 53 TYR CB C 53 40.764 40.764 41.495 -0.731 19012 8415 1 19 . 1 1 53 53 TYR H H 53 8.725 8.725 8.400 0.325 19012 8416 1 19 . 1 1 54 54 LYS N N 54 118.766 118.766 117.980 0.786 19012 8417 1 19 . 1 1 54 54 LYS HA H 54 4.445 4.445 4.226 0.219 19012 8418 1 19 . 1 1 54 54 LYS CA C 54 52.187 52.187 53.962 -1.776 19012 8419 1 19 . 1 1 54 54 LYS CB C 54 34.819 34.819 37.251 -2.432 19012 8420 1 19 . 1 1 54 54 LYS H H 54 8.972 8.972 8.547 0.425 19012 8421 1 19 . 1 1 55 55 ILE N N 55 122.406 122.406 122.479 -0.073 19012 8422 1 19 . 1 1 55 55 ILE HA H 55 4.796 4.796 4.929 -0.133 19012 8423 1 19 . 1 1 55 55 ILE CA C 55 56.172 56.172 59.236 -3.064 19012 8424 1 19 . 1 1 55 55 ILE CB C 55 33.404 33.404 36.985 -3.581 19012 8425 1 19 . 1 1 55 55 ILE H H 55 8.832 8.832 8.321 0.511 19012 8426 1 19 . 1 1 56 56 GLU N N 56 128.507 128.507 123.952 4.555 19012 8427 1 19 . 1 1 56 56 GLU HA H 56 4.575 4.575 4.451 0.124 19012 8428 1 19 . 1 1 56 56 GLU CA C 56 52.300 52.300 56.255 -3.955 19012 8429 1 19 . 1 1 56 56 GLU CB C 56 30.432 30.432 30.082 0.350 19012 8430 1 19 . 1 1 56 56 GLU H H 56 8.787 8.787 8.811 -0.024 19012 8431 1 19 . 1 1 57 57 GLU N N 57 125.606 125.606 119.187 6.419 19012 8432 1 19 . 1 1 57 57 GLU HA H 57 3.809 3.809 4.407 -0.598 19012 8433 1 19 . 1 1 57 57 GLU CA C 57 54.254 54.254 56.527 -2.273 19012 8434 1 19 . 1 1 57 57 GLU CB C 57 25.445 25.445 29.988 -4.543 19012 8435 1 19 . 1 1 57 57 GLU H H 57 9.296 9.296 8.179 1.117 19012 8436 1 19 . 1 1 58 58 GLY N N 58 103.913 103.913 107.813 -3.900 19012 8437 1 19 . 1 1 58 58 GLY CA C 58 43.401 43.401 45.712 -2.311 19012 8438 1 19 . 1 1 58 58 GLY H H 58 8.267 8.267 8.638 -0.371 19012 8439 1 19 . 1 1 59 59 ARG N N 59 119.125 119.125 116.530 2.595 19012 8440 1 19 . 1 1 59 59 ARG HA H 59 4.787 4.787 4.786 0.001 19012 8441 1 19 . 1 1 59 59 ARG CA C 59 51.812 51.812 53.946 -2.134 19012 8442 1 19 . 1 1 59 59 ARG CB C 59 32.023 32.023 34.395 -2.373 19012 8443 1 19 . 1 1 59 59 ARG H H 59 7.840 7.840 7.481 0.359 19012 8444 1 19 . 1 1 60 60 ILE N N 60 118.464 118.464 120.734 -2.270 19012 8445 1 19 . 1 1 60 60 ILE HA H 60 4.409 4.409 4.601 -0.192 19012 8446 1 19 . 1 1 60 60 ILE CA C 60 58.461 58.461 60.818 -2.357 19012 8447 1 19 . 1 1 60 60 ILE CB C 60 36.943 36.943 38.967 -2.024 19012 8448 1 19 . 1 1 60 60 ILE H H 60 8.150 8.150 8.452 -0.302 19012 8449 1 19 . 1 1 61 61 TYR N N 61 130.267 130.267 130.507 -0.240 19012 8450 1 19 . 1 1 61 61 TYR HA H 61 4.399 4.399 4.672 -0.273 19012 8451 1 19 . 1 1 61 61 TYR CA C 61 53.435 53.435 56.273 -2.838 19012 8452 1 19 . 1 1 61 61 TYR CB C 61 37.443 37.443 39.370 -1.927 19012 8453 1 19 . 1 1 61 61 TYR H H 61 9.304 9.304 9.072 0.232 19012 8454 1 19 . 1 1 62 62 ILE N N 62 129.152 129.152 127.529 1.623 19012 8455 1 19 . 1 1 62 62 ILE HA H 62 4.035 4.035 4.133 -0.098 19012 8456 1 19 . 1 1 62 62 ILE CA C 62 55.538 55.538 58.331 -2.793 19012 8457 1 19 . 1 1 62 62 ILE CB C 62 33.654 33.654 37.857 -4.203 19012 8458 1 19 . 1 1 62 62 ILE H H 62 8.326 8.326 8.572 -0.246 19012 8459 1 19 . 1 1 63 63 TYR N N 63 119.836 119.836 120.308 -0.472 19012 8460 1 19 . 1 1 63 63 TYR HA H 63 4.563 4.563 4.534 0.029 19012 8461 1 19 . 1 1 63 63 TYR CA C 63 52.035 52.035 56.716 -4.681 19012 8462 1 19 . 1 1 63 63 TYR CB C 63 36.267 36.267 39.747 -3.480 19012 8463 1 19 . 1 1 63 63 TYR H H 63 8.397 8.397 8.046 0.351 19012 8464 1 19 . 1 1 64 64 ASP N N 64 117.747 117.747 120.498 -2.751 19012 8465 1 19 . 1 1 64 64 ASP HA H 64 4.270 4.270 4.701 -0.431 19012 8466 1 19 . 1 1 64 64 ASP CA C 64 51.384 51.384 54.498 -3.114 19012 8467 1 19 . 1 1 64 64 ASP CB C 64 35.510 35.510 43.224 -7.714 19012 8468 1 19 . 1 1 64 64 ASP H H 64 8.570 8.570 7.518 1.052 19012 8469 1 19 . 1 1 65 65 VAL N N 65 117.619 117.619 124.674 -7.055 19012 8470 1 19 . 1 1 65 65 VAL HA H 65 4.329 4.329 5.199 -0.870 19012 8471 1 19 . 1 1 65 65 VAL CA C 65 61.015 61.015 60.199 0.816 19012 8472 1 19 . 1 1 65 65 VAL CB C 65 29.350 29.350 35.779 -6.429 19012 8473 1 19 . 1 1 65 65 VAL H H 65 8.116 8.116 8.086 0.030 19012 8474 1 19 . 1 1 66 66 TYR N N 66 127.317 127.317 125.291 2.026 19012 8475 1 19 . 1 1 66 66 TYR HA H 66 4.567 4.567 5.098 -0.531 19012 8476 1 19 . 1 1 66 66 TYR CA C 66 53.116 53.116 56.019 -2.903 19012 8477 1 19 . 1 1 66 66 TYR CB C 66 39.090 39.090 39.748 -0.658 19012 8478 1 19 . 1 1 66 66 TYR H H 66 8.911 8.911 8.653 0.258 19012 8479 1 19 . 1 1 67 67 PRO HA H 67 3.778 3.778 4.090 -0.312 19012 8480 1 19 . 1 1 67 67 PRO CA C 67 60.736 60.736 64.184 -3.448 19012 8481 1 19 . 1 1 67 67 PRO CB C 67 32.039 32.039 31.563 0.476 19012 8482 1 19 . 1 1 68 68 ASP N N 68 122.446 122.446 119.616 2.830 19012 8483 1 19 . 1 1 68 68 ASP HA H 68 4.595 4.595 4.614 -0.020 19012 8484 1 19 . 1 1 68 68 ASP CA C 68 51.405 51.405 54.681 -3.276 19012 8485 1 19 . 1 1 68 68 ASP CB C 68 37.732 37.732 41.236 -3.504 19012 8486 1 19 . 1 1 68 68 ASP H H 68 8.017 8.017 7.889 0.128 19012 8487 1 19 . 1 1 69 69 GLU N N 69 121.842 121.842 120.910 0.932 19012 8488 1 19 . 1 1 69 69 GLU HA H 69 4.167 4.167 4.327 -0.160 19012 8489 1 19 . 1 1 69 69 GLU CA C 69 54.191 54.191 56.127 -1.936 19012 8490 1 19 . 1 1 69 69 GLU CB C 69 27.200 27.200 31.027 -3.827 19012 8491 1 19 . 1 1 69 69 GLU H H 69 8.109 8.109 8.419 -0.310 19012 8492 1 19 . 1 1 70 70 LYS N N 70 121.975 121.975 120.636 1.339 19012 8493 1 19 . 1 1 70 70 LYS HA H 70 4.532 4.532 4.502 0.030 19012 8494 1 19 . 1 1 70 70 LYS CA C 70 52.097 52.097 54.722 -2.626 19012 8495 1 19 . 1 1 70 70 LYS CB C 70 33.247 33.247 33.550 -0.303 19012 8496 1 19 . 1 1 70 70 LYS H H 70 7.646 7.646 8.483 -0.837 19012 8497 1 19 . 1 1 71 71 THR N N 71 120.177 120.177 117.597 2.580 19012 8498 1 19 . 1 1 71 71 THR HA H 71 4.386 4.386 4.301 0.085 19012 8499 1 19 . 1 1 71 71 THR CA C 71 58.759 58.759 61.026 -2.267 19012 8500 1 19 . 1 1 71 71 THR CB C 71 66.724 66.724 69.346 -2.622 19012 8501 1 19 . 1 1 71 71 THR H H 71 8.258 8.258 8.391 -0.133 19012 8502 1 19 . 1 1 72 72 PRO HA H 72 4.389 4.389 4.231 0.158 19012 8503 1 19 . 1 1 72 72 PRO CA C 72 61.688 61.688 62.845 -1.157 19012 8504 1 19 . 1 1 72 72 PRO CB C 72 31.440 31.440 32.273 -0.833 19012 8505 1 19 . 1 1 73 73 TYR N N 73 118.747 118.747 119.029 -0.282 19012 8506 1 19 . 1 1 73 73 TYR HA H 73 4.857 4.857 4.854 0.003 19012 8507 1 19 . 1 1 73 73 TYR CA C 73 52.643 52.643 55.894 -3.251 19012 8508 1 19 . 1 1 73 73 TYR CB C 73 37.470 37.470 39.644 -2.174 19012 8509 1 19 . 1 1 73 73 TYR H H 73 7.988 7.988 7.474 0.514 19012 8510 1 19 . 1 1 74 74 TYR N N 74 114.692 114.692 118.392 -3.700 19012 8511 1 19 . 1 1 74 74 TYR HA H 74 5.548 5.548 5.636 -0.088 19012 8512 1 19 . 1 1 74 74 TYR CA C 74 53.855 53.855 57.179 -3.324 19012 8513 1 19 . 1 1 74 74 TYR CB C 74 39.316 39.316 41.148 -1.832 19012 8514 1 19 . 1 1 74 74 TYR H H 74 8.370 8.370 8.619 -0.249 19012 8515 1 19 . 1 1 75 75 LEU N N 75 120.717 120.717 124.418 -3.701 19012 8516 1 19 . 1 1 75 75 LEU HA H 75 4.456 4.456 4.741 -0.285 19012 8517 1 19 . 1 1 75 75 LEU CA C 75 50.648 50.648 53.459 -2.811 19012 8518 1 19 . 1 1 75 75 LEU CB C 75 41.979 41.979 44.480 -2.501 19012 8519 1 19 . 1 1 75 75 LEU H H 75 9.467 9.467 9.030 0.437 19012 8520 1 19 . 1 1 76 76 ASP N N 76 123.675 123.675 123.460 0.215 19012 8521 1 19 . 1 1 76 76 ASP HA H 76 5.041 5.041 4.535 0.506 19012 8522 1 19 . 1 1 76 76 ASP CA C 76 51.324 51.324 54.958 -3.634 19012 8523 1 19 . 1 1 76 76 ASP CB C 76 39.376 39.376 40.631 -1.255 19012 8524 1 19 . 1 1 76 76 ASP H H 76 7.825 7.825 8.810 -0.985 19012 8525 1 19 . 1 1 77 77 CYS N N 77 118.147 118.147 118.490 -0.343 19012 8526 1 19 . 1 1 77 77 CYS HA H 77 5.514 5.514 5.254 0.260 19012 8527 1 19 . 1 1 77 77 CYS CA C 77 53.205 53.205 55.949 -2.744 19012 8528 1 19 . 1 1 77 77 CYS CB C 77 30.347 30.347 32.308 -1.961 19012 8529 1 19 . 1 1 77 77 CYS H H 77 8.504 8.504 8.176 0.328 19012 8530 1 19 . 1 1 78 78 LYS N N 78 119.791 119.791 117.192 2.599 19012 8531 1 19 . 1 1 78 78 LYS HA H 78 4.398 4.398 4.568 -0.170 19012 8532 1 19 . 1 1 78 78 LYS CA C 78 52.033 52.033 54.581 -2.549 19012 8533 1 19 . 1 1 78 78 LYS CB C 78 33.618 33.618 35.715 -2.097 19012 8534 1 19 . 1 1 78 78 LYS H H 78 8.483 8.483 8.411 0.072 19012 8535 1 19 . 1 1 79 79 ILE N N 79 122.179 122.179 119.023 3.156 19012 8536 1 19 . 1 1 79 79 ILE HA H 79 5.410 5.410 4.955 0.455 19012 8537 1 19 . 1 1 79 79 ILE CA C 79 56.581 56.581 60.053 -3.471 19012 8538 1 19 . 1 1 79 79 ILE CB C 79 41.302 41.302 41.754 -0.452 19012 8539 1 19 . 1 1 79 79 ILE H H 79 8.923 8.923 8.838 0.085 19012 8540 1 19 . 1 1 80 80 SER N N 80 122.640 122.640 118.182 4.458 19012 8541 1 19 . 1 1 80 80 SER HA H 80 4.760 4.760 4.913 -0.153 19012 8542 1 19 . 1 1 80 80 SER CB C 80 62.504 62.504 64.400 -1.897 19012 8543 1 19 . 1 1 80 80 SER H H 80 9.150 9.150 8.999 0.151 19012 8544 1 19 . 1 1 81 81 GLY N N 81 111.781 111.781 110.309 1.472 19012 8545 1 19 . 1 1 81 81 GLY CA C 81 44.910 44.910 45.096 -0.186 19012 8546 1 19 . 1 1 81 81 GLY H H 81 8.832 8.832 7.792 1.040 19012 8547 1 19 . 1 1 82 82 THR N N 82 110.902 110.902 113.847 -2.945 19012 8548 1 19 . 1 1 82 82 THR HA H 82 4.541 4.541 4.129 0.412 19012 8549 1 19 . 1 1 82 82 THR CA C 82 58.833 58.833 63.904 -5.071 19012 8550 1 19 . 1 1 82 82 THR H H 82 8.284 8.284 8.482 -0.198 19012 8551 1 19 . 1 1 83 83 THR N N 83 119.808 119.808 119.505 0.303 19012 8552 1 19 . 1 1 83 83 THR HA H 83 5.576 5.576 5.286 0.290 19012 8553 1 19 . 1 1 83 83 THR CA C 83 59.711 59.711 61.622 -1.911 19012 8554 1 19 . 1 1 83 83 THR CB C 83 68.486 68.486 71.215 -2.729 19012 8555 1 19 . 1 1 83 83 THR H H 83 8.178 8.178 8.107 0.071 19012 8556 1 19 . 1 1 84 84 LEU N N 84 128.946 128.946 128.747 0.199 19012 8557 1 19 . 1 1 84 84 LEU HA H 84 4.787 4.787 4.334 0.453 19012 8558 1 19 . 1 1 84 84 LEU CA C 84 50.979 50.979 53.789 -2.810 19012 8559 1 19 . 1 1 84 84 LEU CB C 84 43.114 43.114 43.400 -0.286 19012 8560 1 19 . 1 1 84 84 LEU H H 84 9.103 9.103 9.335 -0.232 19012 8561 1 19 . 1 1 85 85 LYS N N 85 129.439 129.439 127.899 1.540 19012 8562 1 19 . 1 1 85 85 LYS HA H 85 5.220 5.220 4.772 0.448 19012 8563 1 19 . 1 1 85 85 LYS CA C 85 52.028 52.028 54.217 -2.189 19012 8564 1 19 . 1 1 85 85 LYS CB C 85 32.656 32.656 32.891 -0.235 19012 8565 1 19 . 1 1 85 85 LYS H H 85 9.336 9.336 8.711 0.625 19012 8566 1 19 . 1 1 86 86 VAL N N 86 127.719 127.719 127.557 0.162 19012 8567 1 19 . 1 1 86 86 VAL HA H 86 4.279 4.279 3.923 0.356 19012 8568 1 19 . 1 1 86 86 VAL CA C 86 59.179 59.179 62.581 -3.402 19012 8569 1 19 . 1 1 86 86 VAL CB C 86 29.826 29.826 31.336 -1.510 19012 8570 1 19 . 1 1 86 86 VAL H H 86 9.122 9.122 8.285 0.837 19012 8571 1 19 . 1 1 87 87 GLU N N 87 126.504 126.504 126.718 -0.214 19012 8572 1 19 . 1 1 87 87 GLU HA H 87 4.215 4.215 4.227 -0.012 19012 8573 1 19 . 1 1 87 87 GLU CA C 87 55.427 55.427 58.537 -3.110 19012 8574 1 19 . 1 1 87 87 GLU CB C 87 29.038 29.038 30.314 -1.276 19012 8575 1 19 . 1 1 87 87 GLU H H 87 8.960 8.960 8.917 0.043 19012 8576 1 19 . 1 1 88 88 THR N N 88 109.146 109.146 111.919 -2.773 19012 8577 1 19 . 1 1 88 88 THR HA H 88 4.560 4.560 4.460 0.100 19012 8578 1 19 . 1 1 88 88 THR CA C 88 57.802 57.802 61.267 -3.465 19012 8579 1 19 . 1 1 88 88 THR CB C 88 69.805 69.805 71.646 -1.841 19012 8580 1 19 . 1 1 88 88 THR H H 88 7.079 7.079 7.550 -0.471 19012 8581 1 19 . 1 1 89 89 GLY N N 89 102.665 102.665 109.824 -7.159 19012 8582 1 19 . 1 1 89 89 GLY CA C 89 42.083 42.083 44.788 -2.705 19012 8583 1 19 . 1 1 89 89 GLY H H 89 7.984 7.984 8.101 -0.117 19012 8584 1 19 . 1 1 90 90 SER N N 90 118.973 118.973 115.760 3.213 19012 8585 1 19 . 1 1 90 90 SER HA H 90 4.103 4.103 4.156 -0.053 19012 8586 1 19 . 1 1 90 90 SER CA C 90 58.840 58.840 61.276 -2.436 19012 8587 1 19 . 1 1 90 90 SER CB C 90 60.079 60.079 63.169 -3.090 19012 8588 1 19 . 1 1 90 90 SER H H 90 8.854 8.854 8.646 0.208 19012 8589 1 19 . 1 1 91 91 GLU N N 91 120.699 120.699 117.819 2.880 19012 8590 1 19 . 1 1 91 91 GLU HA H 91 3.676 3.676 4.145 -0.469 19012 8591 1 19 . 1 1 91 91 GLU CA C 91 54.571 54.571 56.053 -1.482 19012 8592 1 19 . 1 1 91 91 GLU CB C 91 26.627 26.627 29.016 -2.389 19012 8593 1 19 . 1 1 91 91 GLU H H 91 10.220 10.220 8.278 1.942 19012 8594 1 19 . 1 1 92 92 ALA N N 92 121.411 121.411 122.700 -1.289 19012 8595 1 19 . 1 1 92 92 ALA HA H 92 3.691 3.691 4.216 -0.525 19012 8596 1 19 . 1 1 92 92 ALA CA C 92 50.916 50.916 53.036 -2.120 19012 8597 1 19 . 1 1 92 92 ALA CB C 92 16.118 16.118 18.467 -2.349 19012 8598 1 19 . 1 1 92 92 ALA H H 92 7.014 7.014 7.340 -0.326 19012 8599 1 19 . 1 1 93 93 GLY N N 93 109.056 109.056 112.131 -3.075 19012 8600 1 19 . 1 1 93 93 GLY CA C 93 42.601 42.601 45.750 -3.149 19012 8601 1 19 . 1 1 93 93 GLY H H 93 8.706 8.706 8.237 0.469 19012 8602 1 19 . 1 1 94 94 THR N N 94 117.255 117.255 116.715 0.540 19012 8603 1 19 . 1 1 94 94 THR HA H 94 4.831 4.831 5.297 -0.466 19012 8604 1 19 . 1 1 94 94 THR CA C 94 60.491 60.491 60.538 -0.048 19012 8605 1 19 . 1 1 94 94 THR CB C 94 66.403 66.403 69.466 -3.063 19012 8606 1 19 . 1 1 94 94 THR H H 94 8.637 8.637 8.104 0.533 19012 8607 1 19 . 1 1 95 95 TYR N N 95 127.051 127.051 127.123 -0.072 19012 8608 1 19 . 1 1 95 95 TYR HA H 95 4.564 4.564 5.095 -0.531 19012 8609 1 19 . 1 1 95 95 TYR CA C 95 53.889 53.889 56.662 -2.773 19012 8610 1 19 . 1 1 95 95 TYR CB C 95 39.733 39.733 41.360 -1.627 19012 8611 1 19 . 1 1 95 95 TYR H H 95 10.060 10.060 9.112 0.948 19012 8612 1 19 . 1 1 96 96 LYS N N 96 119.487 119.487 120.738 -1.251 19012 8613 1 19 . 1 1 96 96 LYS HA H 96 5.668 5.668 5.485 0.183 19012 8614 1 19 . 1 1 96 96 LYS CA C 96 50.781 50.781 54.477 -3.696 19012 8615 1 19 . 1 1 96 96 LYS CB C 96 31.840 31.840 34.451 -2.611 19012 8616 1 19 . 1 1 96 96 LYS H H 96 8.960 8.960 9.486 -0.526 19012 8617 1 19 . 1 1 97 97 LYS N N 97 128.866 128.866 123.578 5.288 19012 8618 1 19 . 1 1 97 97 LYS HA H 97 3.701 3.701 3.479 0.222 19012 8619 1 19 . 1 1 97 97 LYS CA C 97 55.022 55.022 56.956 -1.934 19012 8620 1 19 . 1 1 97 97 LYS CB C 97 30.744 30.744 32.556 -1.812 19012 8621 1 19 . 1 1 97 97 LYS H H 97 8.729 8.729 8.545 0.184 19012 8622 1 19 . 1 1 98 98 GLN N N 98 127.056 127.056 126.885 0.171 19012 8623 1 19 . 1 1 98 98 GLN HA H 98 4.244 4.244 4.550 -0.306 19012 8624 1 19 . 1 1 98 98 GLN CA C 98 52.689 52.689 54.171 -1.482 19012 8625 1 19 . 1 1 98 98 GLN CB C 98 28.065 28.065 30.578 -2.513 19012 8626 1 19 . 1 1 98 98 GLN H H 98 8.992 8.992 8.443 0.549 19012 8627 1 20 . 1 1 2 2 GLU N N 2 119.968 119.968 121.545 -1.577 19012 8628 1 20 . 1 1 2 2 GLU HA H 2 4.009 4.009 4.363 -0.354 19012 8629 1 20 . 1 1 2 2 GLU CA C 2 53.190 53.190 55.946 -2.756 19012 8630 1 20 . 1 1 2 2 GLU CB C 2 27.574 27.574 31.252 -3.678 19012 8631 1 20 . 1 1 2 2 GLU H H 2 8.212 8.212 8.365 -0.153 19012 8632 1 20 . 1 1 3 3 ASP N N 3 122.057 122.057 125.768 -3.711 19012 8633 1 20 . 1 1 3 3 ASP HA H 3 4.509 4.509 4.789 -0.280 19012 8634 1 20 . 1 1 3 3 ASP CA C 3 50.691 50.691 53.117 -2.426 19012 8635 1 20 . 1 1 3 3 ASP CB C 3 38.121 38.121 39.635 -1.514 19012 8636 1 20 . 1 1 3 3 ASP H H 3 8.209 8.209 8.566 -0.357 19012 8637 1 20 . 1 1 4 4 TRP N N 4 121.397 121.397 122.064 -0.667 19012 8638 1 20 . 1 1 4 4 TRP HA H 4 4.749 4.749 4.371 0.378 19012 8639 1 20 . 1 1 4 4 TRP CA C 4 53.792 53.792 57.906 -4.114 19012 8640 1 20 . 1 1 4 4 TRP CB C 4 27.994 27.994 29.515 -1.521 19012 8641 1 20 . 1 1 4 4 TRP H H 4 7.614 7.614 7.680 -0.066 19012 8642 1 20 . 1 1 5 5 THR N N 5 117.669 117.669 119.046 -1.377 19012 8643 1 20 . 1 1 5 5 THR HA H 5 4.733 4.733 4.475 0.258 19012 8644 1 20 . 1 1 5 5 THR CA C 5 57.170 57.170 61.766 -4.596 19012 8645 1 20 . 1 1 5 5 THR CB C 5 68.444 68.444 69.554 -1.110 19012 8646 1 20 . 1 1 5 5 THR H H 5 9.387 9.387 8.465 0.922 19012 8647 1 20 . 1 1 6 6 GLU N N 6 121.359 121.359 119.813 1.546 19012 8648 1 20 . 1 1 6 6 GLU HA H 6 4.283 4.283 4.203 0.080 19012 8649 1 20 . 1 1 6 6 GLU CA C 6 53.743 53.743 56.511 -2.768 19012 8650 1 20 . 1 1 6 6 GLU CB C 6 28.184 28.184 30.138 -1.954 19012 8651 1 20 . 1 1 6 6 GLU H H 6 8.027 8.027 8.518 -0.491 19012 8652 1 20 . 1 1 7 7 LEU N N 7 126.701 126.701 126.115 0.586 19012 8653 1 20 . 1 1 7 7 LEU HA H 7 4.217 4.217 4.435 -0.218 19012 8654 1 20 . 1 1 7 7 LEU CA C 7 52.720 52.720 54.858 -2.138 19012 8655 1 20 . 1 1 7 7 LEU CB C 7 40.595 40.595 43.027 -2.432 19012 8656 1 20 . 1 1 7 7 LEU H H 7 8.626 8.626 8.536 0.090 19012 8657 1 20 . 1 1 8 8 ASN N N 8 121.528 121.528 122.181 -0.653 19012 8658 1 20 . 1 1 8 8 ASN HA H 8 4.611 4.611 5.060 -0.449 19012 8659 1 20 . 1 1 8 8 ASN CA C 8 49.652 49.652 51.907 -2.255 19012 8660 1 20 . 1 1 8 8 ASN CB C 8 38.102 38.102 40.831 -2.729 19012 8661 1 20 . 1 1 8 8 ASN H H 8 9.218 9.218 8.907 0.311 19012 8662 1 20 . 1 1 9 9 SER N N 9 109.319 109.319 115.506 -6.187 19012 8663 1 20 . 1 1 9 9 SER HA H 9 4.045 4.045 4.480 -0.435 19012 8664 1 20 . 1 1 9 9 SER CA C 9 58.381 58.381 58.859 -0.478 19012 8665 1 20 . 1 1 9 9 SER CB C 9 60.521 60.521 61.643 -1.122 19012 8666 1 20 . 1 1 9 9 SER H H 9 8.268 8.268 8.820 -0.552 19012 8667 1 20 . 1 1 10 10 ASN N N 10 117.403 117.403 118.647 -1.244 19012 8668 1 20 . 1 1 10 10 ASN HA H 10 4.872 4.872 4.866 0.006 19012 8669 1 20 . 1 1 10 10 ASN CA C 10 52.508 52.508 54.371 -1.863 19012 8670 1 20 . 1 1 10 10 ASN CB C 10 37.905 37.905 40.096 -2.192 19012 8671 1 20 . 1 1 10 10 ASN H H 10 8.610 8.610 8.397 0.213 19012 8672 1 20 . 1 1 11 11 ASN N N 11 119.053 119.053 120.838 -1.785 19012 8673 1 20 . 1 1 11 11 ASN HA H 11 4.396 4.396 4.644 -0.248 19012 8674 1 20 . 1 1 11 11 ASN CA C 11 51.832 51.832 55.696 -3.864 19012 8675 1 20 . 1 1 11 11 ASN CB C 11 34.355 34.355 38.054 -3.699 19012 8676 1 20 . 1 1 11 11 ASN H H 11 8.614 8.614 8.833 -0.219 19012 8677 1 20 . 1 1 12 12 ILE N N 12 117.943 117.943 120.211 -2.268 19012 8678 1 20 . 1 1 12 12 ILE HA H 12 4.185 4.185 4.019 0.166 19012 8679 1 20 . 1 1 12 12 ILE CA C 12 55.309 55.309 62.325 -7.016 19012 8680 1 20 . 1 1 12 12 ILE CB C 12 36.651 36.651 38.230 -1.579 19012 8681 1 20 . 1 1 12 12 ILE H H 12 7.041 7.041 7.461 -0.420 19012 8682 1 20 . 1 1 13 13 ILE N N 13 118.354 118.354 119.873 -1.519 19012 8683 1 20 . 1 1 13 13 ILE HA H 13 3.800 3.800 4.123 -0.323 19012 8684 1 20 . 1 1 13 13 ILE CA C 13 58.469 58.469 61.354 -2.885 19012 8685 1 20 . 1 1 13 13 ILE CB C 13 34.584 34.584 35.592 -1.008 19012 8686 1 20 . 1 1 13 13 ILE H H 13 6.635 6.635 7.332 -0.697 19012 8687 1 20 . 1 1 14 14 GLY N N 14 114.150 114.150 113.264 0.886 19012 8688 1 20 . 1 1 14 14 GLY CA C 14 41.496 41.496 44.380 -2.884 19012 8689 1 20 . 1 1 14 14 GLY H H 14 8.842 8.842 8.322 0.520 19012 8690 1 20 . 1 1 15 15 TYR N N 15 119.014 119.014 118.819 0.195 19012 8691 1 20 . 1 1 15 15 TYR HA H 15 4.961 4.961 4.778 0.183 19012 8692 1 20 . 1 1 15 15 TYR CA C 15 54.499 54.499 57.656 -3.156 19012 8693 1 20 . 1 1 15 15 TYR CB C 15 38.075 38.075 39.807 -1.732 19012 8694 1 20 . 1 1 15 15 TYR H H 15 8.264 8.264 8.425 -0.161 19012 8695 1 20 . 1 1 16 16 TRP N N 16 124.101 124.101 121.173 2.928 19012 8696 1 20 . 1 1 16 16 TRP HA H 16 5.175 5.175 5.410 -0.235 19012 8697 1 20 . 1 1 16 16 TRP CA C 16 52.970 52.970 56.438 -3.468 19012 8698 1 20 . 1 1 16 16 TRP CB C 16 28.341 28.341 31.938 -3.597 19012 8699 1 20 . 1 1 16 16 TRP H H 16 9.497 9.497 9.255 0.242 19012 8700 1 20 . 1 1 17 17 SER N N 17 115.863 115.863 119.039 -3.176 19012 8701 1 20 . 1 1 17 17 SER HA H 17 6.272 6.272 5.733 0.539 19012 8702 1 20 . 1 1 17 17 SER CA C 17 53.039 53.039 55.925 -2.885 19012 8703 1 20 . 1 1 17 17 SER CB C 17 63.415 63.415 65.531 -2.116 19012 8704 1 20 . 1 1 17 17 SER H H 17 9.182 9.182 9.235 -0.053 19012 8705 1 20 . 1 1 18 18 THR N N 18 119.520 119.520 120.037 -0.517 19012 8706 1 20 . 1 1 18 18 THR CB C 18 67.199 67.199 69.564 -2.365 19012 8707 1 20 . 1 1 18 18 THR H H 18 8.996 8.996 8.401 0.595 19012 8708 1 20 . 1 1 19 19 GLY N N 19 110.006 110.006 108.114 1.892 19012 8709 1 20 . 1 1 19 19 GLY CA C 19 42.615 42.615 45.011 -2.397 19012 8710 1 20 . 1 1 19 19 GLY H H 19 8.206 8.206 7.444 0.762 19012 8711 1 20 . 1 1 20 20 ILE N N 20 111.313 111.313 111.978 -0.665 19012 8712 1 20 . 1 1 20 20 ILE HA H 20 3.519 3.519 3.425 0.094 19012 8713 1 20 . 1 1 20 20 ILE CA C 20 57.765 57.765 60.214 -2.449 19012 8714 1 20 . 1 1 20 20 ILE CB C 20 37.839 37.839 39.683 -1.844 19012 8715 1 20 . 1 1 20 20 ILE H H 20 7.953 7.953 8.102 -0.149 19012 8716 1 20 . 1 1 21 21 GLU N N 21 119.547 119.547 120.611 -1.064 19012 8717 1 20 . 1 1 21 21 GLU HA H 21 4.463 4.463 4.589 -0.126 19012 8718 1 20 . 1 1 21 21 GLU CA C 21 52.227 52.227 54.896 -2.669 19012 8719 1 20 . 1 1 21 21 GLU CB C 21 29.468 29.468 31.471 -2.003 19012 8720 1 20 . 1 1 21 21 GLU H H 21 7.514 7.514 7.579 -0.065 19012 8721 1 20 . 1 1 22 22 GLY N N 22 109.534 109.534 110.745 -1.211 19012 8722 1 20 . 1 1 22 22 GLY CA C 22 43.582 43.582 46.972 -3.390 19012 8723 1 20 . 1 1 22 22 GLY H H 22 8.457 8.457 8.813 -0.356 19012 8724 1 20 . 1 1 23 23 THR N N 23 124.632 124.632 120.313 4.319 19012 8725 1 20 . 1 1 23 23 THR HA H 23 5.271 5.271 5.218 0.053 19012 8726 1 20 . 1 1 23 23 THR CA C 23 60.060 60.060 61.586 -1.526 19012 8727 1 20 . 1 1 23 23 THR CB C 23 65.680 65.680 71.263 -5.582 19012 8728 1 20 . 1 1 23 23 THR H H 23 8.881 8.881 7.996 0.885 19012 8729 1 20 . 1 1 24 24 HIS N N 24 122.881 122.881 121.761 1.120 19012 8730 1 20 . 1 1 24 24 HIS HA H 24 4.780 4.780 5.115 -0.335 19012 8731 1 20 . 1 1 24 24 HIS CA C 24 50.970 50.970 54.454 -3.484 19012 8732 1 20 . 1 1 24 24 HIS CB C 24 27.898 27.898 32.007 -4.109 19012 8733 1 20 . 1 1 24 24 HIS H H 24 8.919 8.919 9.093 -0.174 19012 8734 1 20 . 1 1 25 25 LYS N N 25 119.738 119.738 119.210 0.528 19012 8735 1 20 . 1 1 25 25 LYS HA H 25 5.437 5.437 5.088 0.349 19012 8736 1 20 . 1 1 25 25 LYS CA C 25 52.650 52.650 55.508 -2.858 19012 8737 1 20 . 1 1 25 25 LYS CB C 25 33.277 33.277 36.402 -3.125 19012 8738 1 20 . 1 1 25 25 LYS H H 25 8.816 8.816 8.756 0.060 19012 8739 1 20 . 1 1 26 26 LEU N N 26 126.017 126.017 123.009 3.008 19012 8740 1 20 . 1 1 26 26 LEU HA H 26 5.825 5.825 5.453 0.372 19012 8741 1 20 . 1 1 26 26 LEU CA C 26 51.614 51.614 52.989 -1.375 19012 8742 1 20 . 1 1 26 26 LEU CB C 26 44.544 44.544 45.437 -0.893 19012 8743 1 20 . 1 1 26 26 LEU H H 26 9.420 9.420 8.724 0.696 19012 8744 1 20 . 1 1 27 27 LEU N N 27 128.825 128.825 122.994 5.831 19012 8745 1 20 . 1 1 27 27 LEU HA H 27 5.417 5.417 5.346 0.071 19012 8746 1 20 . 1 1 27 27 LEU CA C 27 50.740 50.740 54.078 -3.338 19012 8747 1 20 . 1 1 27 27 LEU CB C 27 44.569 44.569 47.274 -2.705 19012 8748 1 20 . 1 1 27 27 LEU H H 27 9.475 9.475 9.097 0.378 19012 8749 1 20 . 1 1 28 28 SER N N 28 117.701 117.701 113.692 4.009 19012 8750 1 20 . 1 1 28 28 SER HA H 28 5.337 5.337 5.272 0.065 19012 8751 1 20 . 1 1 28 28 SER CA C 28 53.530 53.530 56.734 -3.204 19012 8752 1 20 . 1 1 28 28 SER CB C 28 63.368 63.368 65.780 -2.412 19012 8753 1 20 . 1 1 28 28 SER H H 28 8.859 8.859 8.534 0.326 19012 8754 1 20 . 1 1 29 29 PHE N N 29 117.319 117.319 121.283 -3.964 19012 8755 1 20 . 1 1 29 29 PHE HA H 29 4.679 4.679 4.864 -0.185 19012 8756 1 20 . 1 1 29 29 PHE CA C 29 54.565 54.565 57.727 -3.162 19012 8757 1 20 . 1 1 29 29 PHE CB C 29 39.104 39.104 42.489 -3.385 19012 8758 1 20 . 1 1 29 29 PHE H H 29 8.401 8.401 8.565 -0.164 19012 8759 1 20 . 1 1 30 30 ASP N N 30 123.741 123.741 125.795 -2.054 19012 8760 1 20 . 1 1 30 30 ASP HA H 30 5.217 5.217 4.880 0.337 19012 8761 1 20 . 1 1 30 30 ASP CA C 30 50.408 50.408 53.848 -3.440 19012 8762 1 20 . 1 1 30 30 ASP CB C 30 41.148 41.148 42.755 -1.607 19012 8763 1 20 . 1 1 30 30 ASP H H 30 9.573 9.573 8.467 1.106 19012 8764 1 20 . 1 1 31 31 GLU N N 31 127.123 127.123 118.225 8.898 19012 8765 1 20 . 1 1 31 31 GLU HA H 31 4.127 4.127 4.253 -0.126 19012 8766 1 20 . 1 1 31 31 GLU CA C 31 56.324 56.324 58.179 -1.855 19012 8767 1 20 . 1 1 31 31 GLU CB C 31 27.283 27.283 30.223 -2.940 19012 8768 1 20 . 1 1 31 31 GLU H H 31 9.718 9.718 8.564 1.154 19012 8769 1 20 . 1 1 32 32 ASP N N 32 119.011 119.011 117.310 1.701 19012 8770 1 20 . 1 1 32 32 ASP HA H 32 4.443 4.443 4.784 -0.341 19012 8771 1 20 . 1 1 32 32 ASP CA C 32 50.919 50.919 54.101 -3.182 19012 8772 1 20 . 1 1 32 32 ASP CB C 32 37.344 37.344 41.088 -3.744 19012 8773 1 20 . 1 1 32 32 ASP H H 32 8.911 8.911 8.205 0.706 19012 8774 1 20 . 1 1 33 33 GLY N N 33 106.215 106.215 108.662 -2.447 19012 8775 1 20 . 1 1 33 33 GLY CA C 33 43.879 43.879 44.855 -0.976 19012 8776 1 20 . 1 1 33 33 GLY H H 33 7.781 7.781 8.155 -0.374 19012 8777 1 20 . 1 1 34 34 THR N N 34 111.570 111.570 112.488 -0.918 19012 8778 1 20 . 1 1 34 34 THR HA H 34 5.474 5.474 4.999 0.475 19012 8779 1 20 . 1 1 34 34 THR CA C 34 57.389 57.389 60.286 -2.897 19012 8780 1 20 . 1 1 34 34 THR CB C 34 69.991 69.991 71.373 -1.382 19012 8781 1 20 . 1 1 34 34 THR H H 34 7.863 7.863 7.934 -0.071 19012 8782 1 20 . 1 1 35 35 GLY N N 35 106.781 106.781 106.486 0.295 19012 8783 1 20 . 1 1 35 35 GLY CA C 35 43.233 43.233 43.612 -0.379 19012 8784 1 20 . 1 1 35 35 GLY H H 35 8.235 8.235 8.010 0.225 19012 8785 1 20 . 1 1 36 36 SER N N 36 113.807 113.807 113.408 0.399 19012 8786 1 20 . 1 1 36 36 SER HA H 36 4.659 4.659 4.944 -0.285 19012 8787 1 20 . 1 1 36 36 SER CA C 36 54.509 54.509 57.734 -3.225 19012 8788 1 20 . 1 1 36 36 SER CB C 36 64.821 64.821 67.294 -2.473 19012 8789 1 20 . 1 1 36 36 SER H H 36 8.182 8.182 8.320 -0.138 19012 8790 1 20 . 1 1 37 37 PHE N N 37 120.041 120.041 122.759 -2.718 19012 8791 1 20 . 1 1 37 37 PHE HA H 37 5.885 5.885 5.433 0.452 19012 8792 1 20 . 1 1 37 37 PHE CA C 37 52.308 52.308 56.069 -3.761 19012 8793 1 20 . 1 1 37 37 PHE CB C 37 41.174 41.174 43.499 -2.325 19012 8794 1 20 . 1 1 37 37 PHE H H 37 8.829 8.829 9.034 -0.205 19012 8795 1 20 . 1 1 38 38 GLY N N 38 115.263 115.263 112.609 2.654 19012 8796 1 20 . 1 1 38 38 GLY CA C 38 42.092 42.092 43.742 -1.650 19012 8797 1 20 . 1 1 38 38 GLY H H 38 8.936 8.936 9.070 -0.134 19012 8798 1 20 . 1 1 39 39 ILE N N 39 119.791 119.791 120.439 -0.648 19012 8799 1 20 . 1 1 39 39 ILE HA H 39 4.292 4.292 4.701 -0.409 19012 8800 1 20 . 1 1 39 39 ILE CA C 39 58.280 58.280 60.251 -1.971 19012 8801 1 20 . 1 1 39 39 ILE CB C 39 36.838 36.838 41.608 -4.770 19012 8802 1 20 . 1 1 39 39 ILE H H 39 7.724 7.724 7.911 -0.187 19012 8803 1 20 . 1 1 40 40 TYR N N 40 125.748 125.748 125.797 -0.049 19012 8804 1 20 . 1 1 40 40 TYR HA H 40 4.742 4.742 4.966 -0.224 19012 8805 1 20 . 1 1 40 40 TYR CA C 40 53.881 53.881 56.249 -2.368 19012 8806 1 20 . 1 1 40 40 TYR CB C 40 39.894 39.894 41.278 -1.384 19012 8807 1 20 . 1 1 40 40 TYR H H 40 8.782 8.782 9.083 -0.301 19012 8808 1 20 . 1 1 41 41 SER N N 41 114.721 114.721 121.645 -6.924 19012 8809 1 20 . 1 1 41 41 SER HA H 41 4.689 4.689 4.840 -0.151 19012 8810 1 20 . 1 1 41 41 SER CA C 41 53.337 53.337 59.029 -5.692 19012 8811 1 20 . 1 1 41 41 SER CB C 41 60.205 60.205 63.202 -2.997 19012 8812 1 20 . 1 1 41 41 SER H H 41 8.708 8.708 8.996 -0.288 19012 8813 1 20 . 1 1 42 42 ASN N N 42 124.063 124.063 127.003 -2.940 19012 8814 1 20 . 1 1 42 42 ASN HA H 42 4.298 4.298 4.582 -0.284 19012 8815 1 20 . 1 1 42 42 ASN CA C 42 54.083 54.083 56.550 -2.466 19012 8816 1 20 . 1 1 42 42 ASN CB C 42 34.720 34.720 37.884 -3.164 19012 8817 1 20 . 1 1 42 42 ASN H H 42 9.239 9.239 9.215 0.024 19012 8818 1 20 . 1 1 43 43 ALA N N 43 125.505 125.505 123.350 2.155 19012 8819 1 20 . 1 1 43 43 ALA HA H 43 4.576 4.576 4.771 -0.195 19012 8820 1 20 . 1 1 43 43 ALA CA C 43 50.170 50.170 52.110 -1.940 19012 8821 1 20 . 1 1 43 43 ALA CB C 43 16.678 16.678 20.927 -4.250 19012 8822 1 20 . 1 1 43 43 ALA H H 43 8.468 8.468 8.097 0.371 19012 8823 1 20 . 1 1 44 44 THR N N 44 119.056 119.056 117.731 1.325 19012 8824 1 20 . 1 1 44 44 THR HA H 44 4.550 4.550 4.720 -0.170 19012 8825 1 20 . 1 1 44 44 THR CA C 44 58.028 58.028 59.413 -1.385 19012 8826 1 20 . 1 1 44 44 THR CB C 44 68.176 68.176 70.284 -2.108 19012 8827 1 20 . 1 1 44 44 THR H H 44 8.420 8.420 8.319 0.101 19012 8828 1 20 . 1 1 45 45 PRO HA H 45 3.797 3.797 4.042 -0.245 19012 8829 1 20 . 1 1 45 45 PRO CA C 45 60.280 60.280 62.778 -2.498 19012 8830 1 20 . 1 1 45 45 PRO CB C 45 28.488 28.488 31.623 -3.135 19012 8831 1 20 . 1 1 46 46 ILE N N 46 124.607 124.607 121.637 2.970 19012 8832 1 20 . 1 1 46 46 ILE HA H 46 4.023 4.023 4.318 -0.295 19012 8833 1 20 . 1 1 46 46 ILE CA C 46 58.609 58.609 60.826 -2.217 19012 8834 1 20 . 1 1 46 46 ILE CB C 46 35.652 35.652 38.166 -2.514 19012 8835 1 20 . 1 1 46 46 ILE H H 46 8.998 8.998 8.620 0.378 19012 8836 1 20 . 1 1 47 47 SER N N 47 112.826 112.826 116.227 -3.401 19012 8837 1 20 . 1 1 47 47 SER HA H 47 4.474 4.474 4.581 -0.107 19012 8838 1 20 . 1 1 47 47 SER CA C 47 54.926 54.926 58.277 -3.351 19012 8839 1 20 . 1 1 47 47 SER CB C 47 62.419 62.419 65.075 -2.656 19012 8840 1 20 . 1 1 47 47 SER H H 47 7.439 7.439 7.411 0.028 19012 8841 1 20 . 1 1 48 48 PHE N N 48 123.266 123.266 123.658 -0.392 19012 8842 1 20 . 1 1 48 48 PHE HA H 48 5.194 5.194 5.395 -0.201 19012 8843 1 20 . 1 1 48 48 PHE CA C 48 55.624 55.624 57.578 -1.954 19012 8844 1 20 . 1 1 48 48 PHE CB C 48 40.000 40.000 41.880 -1.880 19012 8845 1 20 . 1 1 48 48 PHE H H 48 8.238 8.238 8.455 -0.217 19012 8846 1 20 . 1 1 49 49 GLN N N 49 123.564 123.564 123.947 -0.383 19012 8847 1 20 . 1 1 49 49 GLN HA H 49 4.935 4.935 3.981 0.954 19012 8848 1 20 . 1 1 49 49 GLN CA C 49 51.294 51.294 54.587 -3.293 19012 8849 1 20 . 1 1 49 49 GLN CB C 49 29.688 29.688 32.421 -2.733 19012 8850 1 20 . 1 1 49 49 GLN H H 49 8.607 8.607 8.492 0.115 19012 8851 1 20 . 1 1 50 50 MET N N 50 120.626 120.626 117.827 2.799 19012 8852 1 20 . 1 1 50 50 MET HA H 50 4.637 4.637 4.772 -0.135 19012 8853 1 20 . 1 1 50 50 MET CA C 50 51.562 51.562 54.912 -3.350 19012 8854 1 20 . 1 1 50 50 MET CB C 50 33.549 33.549 38.019 -4.470 19012 8855 1 20 . 1 1 50 50 MET H H 50 9.071 9.071 8.191 0.879 19012 8856 1 20 . 1 1 51 51 PHE N N 51 112.996 112.996 115.148 -2.152 19012 8857 1 20 . 1 1 51 51 PHE HA H 51 4.928 4.928 5.038 -0.110 19012 8858 1 20 . 1 1 51 51 PHE CA C 51 53.899 53.899 56.255 -2.356 19012 8859 1 20 . 1 1 51 51 PHE CB C 51 38.018 38.018 41.064 -3.046 19012 8860 1 20 . 1 1 52 52 ASP N N 52 118.727 118.727 119.992 -1.265 19012 8861 1 20 . 1 1 52 52 ASP HA H 52 5.640 5.640 4.530 1.110 19012 8862 1 20 . 1 1 52 52 ASP CA C 52 50.264 50.264 52.415 -2.151 19012 8863 1 20 . 1 1 52 52 ASP CB C 52 38.971 38.971 43.500 -4.529 19012 8864 1 20 . 1 1 52 52 ASP H H 52 8.469 8.469 8.252 0.217 19012 8865 1 20 . 1 1 53 53 TYR N N 53 115.709 115.709 114.872 0.837 19012 8866 1 20 . 1 1 53 53 TYR HA H 53 6.351 6.351 5.634 0.717 19012 8867 1 20 . 1 1 53 53 TYR CA C 53 53.296 53.296 56.118 -2.822 19012 8868 1 20 . 1 1 53 53 TYR CB C 53 40.764 40.764 42.556 -1.792 19012 8869 1 20 . 1 1 53 53 TYR H H 53 8.725 8.725 8.239 0.486 19012 8870 1 20 . 1 1 54 54 LYS N N 54 118.766 118.766 119.341 -0.575 19012 8871 1 20 . 1 1 54 54 LYS HA H 54 4.445 4.445 4.935 -0.490 19012 8872 1 20 . 1 1 54 54 LYS CA C 54 52.187 52.187 54.545 -2.358 19012 8873 1 20 . 1 1 54 54 LYS CB C 54 34.819 34.819 36.930 -2.111 19012 8874 1 20 . 1 1 54 54 LYS H H 54 8.972 8.972 8.896 0.076 19012 8875 1 20 . 1 1 55 55 ILE N N 55 122.406 122.406 119.894 2.512 19012 8876 1 20 . 1 1 55 55 ILE HA H 55 4.796 4.796 4.956 -0.160 19012 8877 1 20 . 1 1 55 55 ILE CA C 55 56.172 56.172 59.308 -3.136 19012 8878 1 20 . 1 1 55 55 ILE CB C 55 33.404 33.404 36.802 -3.398 19012 8879 1 20 . 1 1 55 55 ILE H H 55 8.832 8.832 8.517 0.315 19012 8880 1 20 . 1 1 56 56 GLU N N 56 128.507 128.507 125.790 2.717 19012 8881 1 20 . 1 1 56 56 GLU HA H 56 4.575 4.575 4.470 0.105 19012 8882 1 20 . 1 1 56 56 GLU CA C 56 52.300 52.300 56.684 -4.384 19012 8883 1 20 . 1 1 56 56 GLU CB C 56 30.432 30.432 30.672 -0.240 19012 8884 1 20 . 1 1 56 56 GLU H H 56 8.787 8.787 8.915 -0.128 19012 8885 1 20 . 1 1 57 57 GLU N N 57 125.606 125.606 118.259 7.347 19012 8886 1 20 . 1 1 57 57 GLU HA H 57 3.809 3.809 4.425 -0.616 19012 8887 1 20 . 1 1 57 57 GLU CA C 57 54.254 54.254 56.932 -2.678 19012 8888 1 20 . 1 1 57 57 GLU CB C 57 25.445 25.445 29.788 -4.343 19012 8889 1 20 . 1 1 57 57 GLU H H 57 9.296 9.296 8.388 0.908 19012 8890 1 20 . 1 1 58 58 GLY N N 58 103.913 103.913 107.488 -3.575 19012 8891 1 20 . 1 1 58 58 GLY CA C 58 43.401 43.401 46.079 -2.678 19012 8892 1 20 . 1 1 58 58 GLY H H 58 8.267 8.267 8.568 -0.301 19012 8893 1 20 . 1 1 59 59 ARG N N 59 119.125 119.125 117.421 1.704 19012 8894 1 20 . 1 1 59 59 ARG HA H 59 4.787 4.787 4.605 0.182 19012 8895 1 20 . 1 1 59 59 ARG CA C 59 51.812 51.812 54.486 -2.674 19012 8896 1 20 . 1 1 59 59 ARG CB C 59 32.023 32.023 33.868 -1.845 19012 8897 1 20 . 1 1 59 59 ARG H H 59 7.840 7.840 7.561 0.279 19012 8898 1 20 . 1 1 60 60 ILE N N 60 118.464 118.464 119.311 -0.847 19012 8899 1 20 . 1 1 60 60 ILE HA H 60 4.409 4.409 4.578 -0.169 19012 8900 1 20 . 1 1 60 60 ILE CA C 60 58.461 58.461 61.636 -3.175 19012 8901 1 20 . 1 1 60 60 ILE CB C 60 36.943 36.943 39.594 -2.651 19012 8902 1 20 . 1 1 60 60 ILE H H 60 8.150 8.150 8.476 -0.326 19012 8903 1 20 . 1 1 61 61 TYR N N 61 130.267 130.267 127.593 2.674 19012 8904 1 20 . 1 1 61 61 TYR HA H 61 4.399 4.399 4.930 -0.531 19012 8905 1 20 . 1 1 61 61 TYR CA C 61 53.435 53.435 55.874 -2.439 19012 8906 1 20 . 1 1 61 61 TYR CB C 61 37.443 37.443 40.171 -2.728 19012 8907 1 20 . 1 1 61 61 TYR H H 61 9.304 9.304 8.481 0.823 19012 8908 1 20 . 1 1 62 62 ILE N N 62 129.152 129.152 127.608 1.544 19012 8909 1 20 . 1 1 62 62 ILE HA H 62 4.035 4.035 4.308 -0.273 19012 8910 1 20 . 1 1 62 62 ILE CA C 62 55.538 55.538 58.819 -3.281 19012 8911 1 20 . 1 1 62 62 ILE CB C 62 33.654 33.654 37.481 -3.827 19012 8912 1 20 . 1 1 62 62 ILE H H 62 8.326 8.326 8.538 -0.212 19012 8913 1 20 . 1 1 63 63 TYR N N 63 119.836 119.836 118.850 0.986 19012 8914 1 20 . 1 1 63 63 TYR HA H 63 4.563 4.563 4.451 0.112 19012 8915 1 20 . 1 1 63 63 TYR CA C 63 52.035 52.035 56.499 -4.464 19012 8916 1 20 . 1 1 63 63 TYR CB C 63 36.267 36.267 40.499 -4.232 19012 8917 1 20 . 1 1 63 63 TYR H H 63 8.397 8.397 8.025 0.372 19012 8918 1 20 . 1 1 64 64 ASP N N 64 117.747 117.747 120.941 -3.194 19012 8919 1 20 . 1 1 64 64 ASP HA H 64 4.270 4.270 4.594 -0.324 19012 8920 1 20 . 1 1 64 64 ASP CA C 64 51.384 51.384 54.299 -2.915 19012 8921 1 20 . 1 1 64 64 ASP CB C 64 35.510 35.510 42.619 -7.109 19012 8922 1 20 . 1 1 64 64 ASP H H 64 8.570 8.570 7.607 0.963 19012 8923 1 20 . 1 1 65 65 VAL N N 65 117.619 117.619 124.373 -6.754 19012 8924 1 20 . 1 1 65 65 VAL HA H 65 4.329 4.329 4.898 -0.569 19012 8925 1 20 . 1 1 65 65 VAL CA C 65 61.015 61.015 59.651 1.364 19012 8926 1 20 . 1 1 65 65 VAL CB C 65 29.350 29.350 35.235 -5.885 19012 8927 1 20 . 1 1 65 65 VAL H H 65 8.116 8.116 7.902 0.214 19012 8928 1 20 . 1 1 66 66 TYR N N 66 127.317 127.317 125.945 1.372 19012 8929 1 20 . 1 1 66 66 TYR HA H 66 4.567 4.567 5.137 -0.570 19012 8930 1 20 . 1 1 66 66 TYR CA C 66 53.116 53.116 55.691 -2.575 19012 8931 1 20 . 1 1 66 66 TYR CB C 66 39.090 39.090 40.212 -1.122 19012 8932 1 20 . 1 1 66 66 TYR H H 66 8.911 8.911 9.202 -0.291 19012 8933 1 20 . 1 1 67 67 PRO HA H 67 3.778 3.778 4.345 -0.567 19012 8934 1 20 . 1 1 67 67 PRO CA C 67 60.736 60.736 64.460 -3.724 19012 8935 1 20 . 1 1 67 67 PRO CB C 67 32.039 32.039 31.863 0.176 19012 8936 1 20 . 1 1 68 68 ASP N N 68 122.446 122.446 120.381 2.065 19012 8937 1 20 . 1 1 68 68 ASP HA H 68 4.595 4.595 4.686 -0.091 19012 8938 1 20 . 1 1 68 68 ASP CA C 68 51.405 51.405 52.845 -1.440 19012 8939 1 20 . 1 1 68 68 ASP CB C 68 37.732 37.732 41.799 -4.067 19012 8940 1 20 . 1 1 68 68 ASP H H 68 8.017 8.017 7.892 0.125 19012 8941 1 20 . 1 1 69 69 GLU N N 69 121.842 121.842 124.586 -2.744 19012 8942 1 20 . 1 1 69 69 GLU HA H 69 4.167 4.167 4.238 -0.071 19012 8943 1 20 . 1 1 69 69 GLU CA C 69 54.191 54.191 57.175 -2.983 19012 8944 1 20 . 1 1 69 69 GLU CB C 69 27.200 27.200 30.217 -3.017 19012 8945 1 20 . 1 1 69 69 GLU H H 69 8.109 8.109 8.514 -0.405 19012 8946 1 20 . 1 1 70 70 LYS N N 70 121.975 121.975 124.205 -2.230 19012 8947 1 20 . 1 1 70 70 LYS HA H 70 4.532 4.532 4.456 0.076 19012 8948 1 20 . 1 1 70 70 LYS CA C 70 52.097 52.097 55.142 -3.045 19012 8949 1 20 . 1 1 70 70 LYS CB C 70 33.247 33.247 33.631 -0.384 19012 8950 1 20 . 1 1 70 70 LYS H H 70 7.646 7.646 8.073 -0.427 19012 8951 1 20 . 1 1 71 71 THR N N 71 120.177 120.177 117.365 2.812 19012 8952 1 20 . 1 1 71 71 THR HA H 71 4.386 4.386 4.335 0.051 19012 8953 1 20 . 1 1 71 71 THR CA C 71 58.759 58.759 60.536 -1.777 19012 8954 1 20 . 1 1 71 71 THR CB C 71 66.724 66.724 69.315 -2.591 19012 8955 1 20 . 1 1 71 71 THR H H 71 8.258 8.258 8.179 0.079 19012 8956 1 20 . 1 1 72 72 PRO HA H 72 4.389 4.389 4.026 0.363 19012 8957 1 20 . 1 1 72 72 PRO CA C 72 61.688 61.688 63.079 -1.391 19012 8958 1 20 . 1 1 72 72 PRO CB C 72 31.440 31.440 32.252 -0.812 19012 8959 1 20 . 1 1 73 73 TYR N N 73 118.747 118.747 115.094 3.653 19012 8960 1 20 . 1 1 73 73 TYR HA H 73 4.857 4.857 4.809 0.048 19012 8961 1 20 . 1 1 73 73 TYR CA C 73 52.643 52.643 56.094 -3.451 19012 8962 1 20 . 1 1 73 73 TYR CB C 73 37.470 37.470 38.924 -1.454 19012 8963 1 20 . 1 1 73 73 TYR H H 73 7.988 7.988 7.472 0.516 19012 8964 1 20 . 1 1 74 74 TYR N N 74 114.692 114.692 118.928 -4.236 19012 8965 1 20 . 1 1 74 74 TYR HA H 74 5.548 5.548 5.589 -0.041 19012 8966 1 20 . 1 1 74 74 TYR CA C 74 53.855 53.855 57.822 -3.967 19012 8967 1 20 . 1 1 74 74 TYR CB C 74 39.316 39.316 40.517 -1.201 19012 8968 1 20 . 1 1 74 74 TYR H H 74 8.370 8.370 8.601 -0.231 19012 8969 1 20 . 1 1 75 75 LEU N N 75 120.717 120.717 123.574 -2.857 19012 8970 1 20 . 1 1 75 75 LEU HA H 75 4.456 4.456 4.767 -0.311 19012 8971 1 20 . 1 1 75 75 LEU CA C 75 50.648 50.648 53.902 -3.254 19012 8972 1 20 . 1 1 75 75 LEU CB C 75 41.979 41.979 46.054 -4.075 19012 8973 1 20 . 1 1 75 75 LEU H H 75 9.467 9.467 9.066 0.401 19012 8974 1 20 . 1 1 76 76 ASP N N 76 123.675 123.675 124.907 -1.232 19012 8975 1 20 . 1 1 76 76 ASP HA H 76 5.041 5.041 5.031 0.010 19012 8976 1 20 . 1 1 76 76 ASP CA C 76 51.324 51.324 54.928 -3.604 19012 8977 1 20 . 1 1 76 76 ASP CB C 76 39.376 39.376 41.728 -2.353 19012 8978 1 20 . 1 1 76 76 ASP H H 76 7.825 7.825 8.782 -0.957 19012 8979 1 20 . 1 1 77 77 CYS N N 77 118.147 118.147 119.019 -0.872 19012 8980 1 20 . 1 1 77 77 CYS HA H 77 5.514 5.514 5.140 0.374 19012 8981 1 20 . 1 1 77 77 CYS CA C 77 53.205 53.205 56.095 -2.890 19012 8982 1 20 . 1 1 77 77 CYS CB C 77 30.347 30.347 31.913 -1.565 19012 8983 1 20 . 1 1 77 77 CYS H H 77 8.504 8.504 8.526 -0.022 19012 8984 1 20 . 1 1 78 78 LYS N N 78 119.791 119.791 117.928 1.863 19012 8985 1 20 . 1 1 78 78 LYS HA H 78 4.398 4.398 4.530 -0.132 19012 8986 1 20 . 1 1 78 78 LYS CA C 78 52.033 52.033 54.687 -2.654 19012 8987 1 20 . 1 1 78 78 LYS CB C 78 33.618 33.618 35.648 -2.030 19012 8988 1 20 . 1 1 78 78 LYS H H 78 8.483 8.483 8.435 0.048 19012 8989 1 20 . 1 1 79 79 ILE N N 79 122.179 122.179 119.803 2.376 19012 8990 1 20 . 1 1 79 79 ILE HA H 79 5.410 5.410 4.831 0.579 19012 8991 1 20 . 1 1 79 79 ILE CA C 79 56.581 56.581 59.642 -3.061 19012 8992 1 20 . 1 1 79 79 ILE CB C 79 41.302 41.302 42.017 -0.715 19012 8993 1 20 . 1 1 79 79 ILE H H 79 8.923 8.923 8.762 0.161 19012 8994 1 20 . 1 1 80 80 SER N N 80 122.640 122.640 119.234 3.406 19012 8995 1 20 . 1 1 80 80 SER HA H 80 4.760 4.760 5.140 -0.380 19012 8996 1 20 . 1 1 80 80 SER CB C 80 62.504 62.504 64.516 -2.012 19012 8997 1 20 . 1 1 80 80 SER H H 80 9.150 9.150 8.610 0.540 19012 8998 1 20 . 1 1 81 81 GLY N N 81 111.781 111.781 110.621 1.160 19012 8999 1 20 . 1 1 81 81 GLY CA C 81 44.910 44.910 45.848 -0.938 19012 9000 1 20 . 1 1 81 81 GLY H H 81 8.832 8.832 7.809 1.023 19012 9001 1 20 . 1 1 82 82 THR N N 82 110.902 110.902 114.968 -4.066 19012 9002 1 20 . 1 1 82 82 THR HA H 82 4.541 4.541 4.338 0.203 19012 9003 1 20 . 1 1 82 82 THR CA C 82 58.833 58.833 62.901 -4.068 19012 9004 1 20 . 1 1 82 82 THR H H 82 8.284 8.284 8.274 0.010 19012 9005 1 20 . 1 1 83 83 THR N N 83 119.808 119.808 119.872 -0.064 19012 9006 1 20 . 1 1 83 83 THR HA H 83 5.576 5.576 5.001 0.575 19012 9007 1 20 . 1 1 83 83 THR CA C 83 59.711 59.711 63.581 -3.870 19012 9008 1 20 . 1 1 83 83 THR CB C 83 68.486 68.486 69.871 -1.385 19012 9009 1 20 . 1 1 83 83 THR H H 83 8.178 8.178 7.914 0.264 19012 9010 1 20 . 1 1 84 84 LEU N N 84 128.946 128.946 128.611 0.335 19012 9011 1 20 . 1 1 84 84 LEU HA H 84 4.787 4.787 4.885 -0.098 19012 9012 1 20 . 1 1 84 84 LEU CA C 84 50.979 50.979 53.421 -2.442 19012 9013 1 20 . 1 1 84 84 LEU CB C 84 43.114 43.114 44.870 -1.756 19012 9014 1 20 . 1 1 84 84 LEU H H 84 9.103 9.103 8.511 0.592 19012 9015 1 20 . 1 1 85 85 LYS N N 85 129.439 129.439 128.213 1.226 19012 9016 1 20 . 1 1 85 85 LYS HA H 85 5.220 5.220 4.785 0.435 19012 9017 1 20 . 1 1 85 85 LYS CA C 85 52.028 52.028 54.739 -2.711 19012 9018 1 20 . 1 1 85 85 LYS CB C 85 32.656 32.656 33.574 -0.918 19012 9019 1 20 . 1 1 85 85 LYS H H 85 9.336 9.336 8.708 0.628 19012 9020 1 20 . 1 1 86 86 VAL N N 86 127.719 127.719 127.883 -0.164 19012 9021 1 20 . 1 1 86 86 VAL HA H 86 4.279 4.279 3.815 0.464 19012 9022 1 20 . 1 1 86 86 VAL CA C 86 59.179 59.179 63.526 -4.347 19012 9023 1 20 . 1 1 86 86 VAL CB C 86 29.826 29.826 32.026 -2.200 19012 9024 1 20 . 1 1 86 86 VAL H H 86 9.122 9.122 8.935 0.187 19012 9025 1 20 . 1 1 87 87 GLU N N 87 126.504 126.504 127.647 -1.143 19012 9026 1 20 . 1 1 87 87 GLU HA H 87 4.215 4.215 4.456 -0.241 19012 9027 1 20 . 1 1 87 87 GLU CA C 87 55.427 55.427 57.794 -2.366 19012 9028 1 20 . 1 1 87 87 GLU CB C 87 29.038 29.038 31.204 -2.166 19012 9029 1 20 . 1 1 87 87 GLU H H 87 8.960 8.960 8.971 -0.011 19012 9030 1 20 . 1 1 88 88 THR N N 88 109.146 109.146 111.706 -2.560 19012 9031 1 20 . 1 1 88 88 THR HA H 88 4.560 4.560 4.492 0.068 19012 9032 1 20 . 1 1 88 88 THR CA C 88 57.802 57.802 61.304 -3.502 19012 9033 1 20 . 1 1 88 88 THR CB C 88 69.805 69.805 70.757 -0.952 19012 9034 1 20 . 1 1 88 88 THR H H 88 7.079 7.079 7.636 -0.557 19012 9035 1 20 . 1 1 89 89 GLY N N 89 102.665 102.665 110.931 -8.266 19012 9036 1 20 . 1 1 89 89 GLY CA C 89 42.083 42.083 44.630 -2.547 19012 9037 1 20 . 1 1 89 89 GLY H H 89 7.984 7.984 8.143 -0.159 19012 9038 1 20 . 1 1 90 90 SER N N 90 118.973 118.973 116.560 2.413 19012 9039 1 20 . 1 1 90 90 SER HA H 90 4.103 4.103 4.098 0.005 19012 9040 1 20 . 1 1 90 90 SER CA C 90 58.840 58.840 60.913 -2.073 19012 9041 1 20 . 1 1 90 90 SER CB C 90 60.079 60.079 63.137 -3.058 19012 9042 1 20 . 1 1 90 90 SER H H 90 8.854 8.854 8.907 -0.053 19012 9043 1 20 . 1 1 91 91 GLU N N 91 120.699 120.699 119.023 1.676 19012 9044 1 20 . 1 1 91 91 GLU HA H 91 3.676 3.676 4.333 -0.657 19012 9045 1 20 . 1 1 91 91 GLU CA C 91 54.571 54.571 55.832 -1.261 19012 9046 1 20 . 1 1 91 91 GLU CB C 91 26.627 26.627 28.860 -2.233 19012 9047 1 20 . 1 1 91 91 GLU H H 91 10.220 10.220 8.355 1.865 19012 9048 1 20 . 1 1 92 92 ALA N N 92 121.411 121.411 123.448 -2.037 19012 9049 1 20 . 1 1 92 92 ALA HA H 92 3.691 3.691 4.057 -0.366 19012 9050 1 20 . 1 1 92 92 ALA CA C 92 50.916 50.916 53.563 -2.647 19012 9051 1 20 . 1 1 92 92 ALA CB C 92 16.118 16.118 17.948 -1.829 19012 9052 1 20 . 1 1 92 92 ALA H H 92 7.014 7.014 7.295 -0.281 19012 9053 1 20 . 1 1 93 93 GLY N N 93 109.056 109.056 110.835 -1.779 19012 9054 1 20 . 1 1 93 93 GLY CA C 93 42.601 42.601 45.371 -2.770 19012 9055 1 20 . 1 1 93 93 GLY H H 93 8.706 8.706 7.608 1.098 19012 9056 1 20 . 1 1 94 94 THR N N 94 117.255 117.255 113.629 3.626 19012 9057 1 20 . 1 1 94 94 THR HA H 94 4.831 4.831 5.203 -0.372 19012 9058 1 20 . 1 1 94 94 THR CA C 94 60.491 60.491 60.944 -0.453 19012 9059 1 20 . 1 1 94 94 THR CB C 94 66.403 66.403 69.732 -3.329 19012 9060 1 20 . 1 1 94 94 THR H H 94 8.637 8.637 8.071 0.566 19012 9061 1 20 . 1 1 95 95 TYR N N 95 127.051 127.051 125.066 1.985 19012 9062 1 20 . 1 1 95 95 TYR HA H 95 4.564 4.564 5.246 -0.682 19012 9063 1 20 . 1 1 95 95 TYR CA C 95 53.889 53.889 56.371 -2.482 19012 9064 1 20 . 1 1 95 95 TYR CB C 95 39.733 39.733 42.860 -3.127 19012 9065 1 20 . 1 1 95 95 TYR H H 95 10.060 10.060 9.425 0.635 19012 9066 1 20 . 1 1 96 96 LYS N N 96 119.487 119.487 120.271 -0.784 19012 9067 1 20 . 1 1 96 96 LYS HA H 96 5.668 5.668 5.397 0.271 19012 9068 1 20 . 1 1 96 96 LYS CA C 96 50.781 50.781 53.848 -3.067 19012 9069 1 20 . 1 1 96 96 LYS CB C 96 31.840 31.840 34.966 -3.126 19012 9070 1 20 . 1 1 96 96 LYS H H 96 8.960 8.960 9.268 -0.308 19012 9071 1 20 . 1 1 97 97 LYS N N 97 128.866 128.866 126.276 2.590 19012 9072 1 20 . 1 1 97 97 LYS HA H 97 3.701 3.701 3.645 0.056 19012 9073 1 20 . 1 1 97 97 LYS CA C 97 55.022 55.022 57.283 -2.261 19012 9074 1 20 . 1 1 97 97 LYS CB C 97 30.744 30.744 32.432 -1.688 19012 9075 1 20 . 1 1 97 97 LYS H H 97 8.729 8.729 8.538 0.191 19012 9076 1 20 . 1 1 98 98 GLN N N 98 127.056 127.056 122.662 4.394 19012 9077 1 20 . 1 1 98 98 GLN HA H 98 4.244 4.244 4.330 -0.086 19012 9078 1 20 . 1 1 98 98 GLN CA C 98 52.689 52.689 54.916 -2.227 19012 9079 1 20 . 1 1 98 98 GLN CB C 98 28.065 28.065 29.608 -1.543 19012 9080 1 20 . 1 1 98 98 GLN H H 98 8.992 8.992 8.549 0.443 19012 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 94 2.921 -0.138 2.933 19012 2 1 1 "Average Difference" HA 86 0.382 0.025 0.384 19012 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19012 4 1 1 "Average Difference" CA 95 2.843 2.674 0.969 19012 5 1 1 "Average Difference" CB 86 2.823 2.507 1.305 19012 6 1 1 "Average Difference" HN 93 0.535 -0.188 0.504 19012 7 1 2 "Average Difference" N 94 2.938 -0.036 2.954 19012 8 1 2 "Average Difference" HA 86 0.376 0.042 0.376 19012 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19012 10 1 2 "Average Difference" CA 95 2.898 2.725 0.991 19012 11 1 2 "Average Difference" CB 86 2.922 2.567 1.405 19012 12 1 2 "Average Difference" HN 93 0.551 -0.174 0.526 19012 13 1 3 "Average Difference" N 94 3.079 -0.562 3.044 19012 14 1 3 "Average Difference" HA 86 0.381 0.040 0.381 19012 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19012 16 1 3 "Average Difference" CA 95 2.812 2.665 0.901 19012 17 1 3 "Average Difference" CB 86 2.884 2.482 1.478 19012 18 1 3 "Average Difference" HN 93 0.543 -0.196 0.509 19012 19 1 4 "Average Difference" N 94 3.126 -0.077 3.142 19012 20 1 4 "Average Difference" HA 86 0.364 0.009 0.366 19012 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19012 22 1 4 "Average Difference" CA 95 2.922 2.751 0.991 19012 23 1 4 "Average Difference" CB 86 2.838 2.471 1.404 19012 24 1 4 "Average Difference" HN 93 0.532 -0.203 0.494 19012 25 1 5 "Average Difference" N 94 2.950 -0.077 2.965 19012 26 1 5 "Average Difference" HA 86 0.362 0.081 0.355 19012 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19012 28 1 5 "Average Difference" CA 95 2.932 2.737 1.058 19012 29 1 5 "Average Difference" CB 86 2.925 2.554 1.433 19012 30 1 5 "Average Difference" HN 93 0.545 -0.136 0.531 19012 31 1 6 "Average Difference" N 94 3.043 -0.071 3.059 19012 32 1 6 "Average Difference" HA 86 0.342 0.051 0.340 19012 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19012 34 1 6 "Average Difference" CA 95 2.866 2.715 0.924 19012 35 1 6 "Average Difference" CB 86 2.899 2.516 1.450 19012 36 1 6 "Average Difference" HN 93 0.537 -0.170 0.512 19012 37 1 7 "Average Difference" N 94 2.999 -0.126 3.013 19012 38 1 7 "Average Difference" HA 86 0.372 0.033 0.372 19012 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19012 40 1 7 "Average Difference" CA 95 2.850 2.658 1.033 19012 41 1 7 "Average Difference" CB 86 2.848 2.469 1.427 19012 42 1 7 "Average Difference" HN 93 0.544 -0.157 0.523 19012 43 1 8 "Average Difference" N 94 2.869 -0.078 2.883 19012 44 1 8 "Average Difference" HA 86 0.388 0.047 0.387 19012 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19012 46 1 8 "Average Difference" CA 95 2.827 2.646 1.001 19012 47 1 8 "Average Difference" CB 86 2.783 2.398 1.420 19012 48 1 8 "Average Difference" HN 93 0.547 -0.179 0.519 19012 49 1 9 "Average Difference" N 94 2.810 -0.135 2.822 19012 50 1 9 "Average Difference" HA 86 0.408 0.055 0.406 19012 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19012 52 1 9 "Average Difference" CA 95 2.883 2.715 0.974 19012 53 1 9 "Average Difference" CB 86 2.870 2.511 1.397 19012 54 1 9 "Average Difference" HN 93 0.528 -0.184 0.498 19012 55 1 10 "Average Difference" N 94 2.853 -0.265 2.855 19012 56 1 10 "Average Difference" HA 86 0.353 0.068 0.348 19012 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19012 58 1 10 "Average Difference" CA 95 2.862 2.680 1.010 19012 59 1 10 "Average Difference" CB 86 2.857 2.499 1.392 19012 60 1 10 "Average Difference" HN 93 0.558 -0.176 0.532 19012 61 1 11 "Average Difference" N 94 2.914 -0.120 2.928 19012 62 1 11 "Average Difference" HA 86 0.383 0.056 0.381 19012 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19012 64 1 11 "Average Difference" CA 95 2.862 2.669 1.038 19012 65 1 11 "Average Difference" CB 86 2.982 2.618 1.436 19012 66 1 11 "Average Difference" HN 93 0.545 -0.175 0.519 19012 67 1 12 "Average Difference" N 94 2.807 -0.167 2.817 19012 68 1 12 "Average Difference" HA 86 0.407 0.031 0.409 19012 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19012 70 1 12 "Average Difference" CA 95 2.875 2.670 1.071 19012 71 1 12 "Average Difference" CB 86 2.909 2.504 1.489 19012 72 1 12 "Average Difference" HN 93 0.549 -0.190 0.517 19012 73 1 13 "Average Difference" N 94 3.156 -0.223 3.165 19012 74 1 13 "Average Difference" HA 86 0.381 0.037 0.382 19012 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19012 76 1 13 "Average Difference" CA 95 2.895 2.720 0.998 19012 77 1 13 "Average Difference" CB 86 2.923 2.555 1.427 19012 78 1 13 "Average Difference" HN 93 0.608 -0.214 0.572 19012 79 1 14 "Average Difference" N 94 2.893 -0.391 2.882 19012 80 1 14 "Average Difference" HA 86 0.372 0.037 0.372 19012 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19012 82 1 14 "Average Difference" CA 95 2.950 2.759 1.049 19012 83 1 14 "Average Difference" CB 86 2.900 2.493 1.490 19012 84 1 14 "Average Difference" HN 93 0.567 -0.159 0.547 19012 85 1 15 "Average Difference" N 94 3.017 -0.028 3.033 19012 86 1 15 "Average Difference" HA 86 0.371 0.053 0.370 19012 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19012 88 1 15 "Average Difference" CA 95 2.997 2.788 1.105 19012 89 1 15 "Average Difference" CB 86 2.893 2.491 1.479 19012 90 1 15 "Average Difference" HN 93 0.566 -0.155 0.548 19012 91 1 16 "Average Difference" N 94 2.814 -0.149 2.825 19012 92 1 16 "Average Difference" HA 86 0.386 0.050 0.385 19012 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19012 94 1 16 "Average Difference" CA 95 2.861 2.660 1.060 19012 95 1 16 "Average Difference" CB 86 2.842 2.506 1.348 19012 96 1 16 "Average Difference" HN 93 0.561 -0.171 0.538 19012 97 1 17 "Average Difference" N 94 2.870 -0.148 2.882 19012 98 1 17 "Average Difference" HA 86 0.406 0.035 0.407 19012 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19012 100 1 17 "Average Difference" CA 95 2.932 2.720 1.100 19012 101 1 17 "Average Difference" CB 86 2.814 2.497 1.306 19012 102 1 17 "Average Difference" HN 93 0.550 -0.201 0.515 19012 103 1 18 "Average Difference" N 94 2.872 0.189 2.882 19012 104 1 18 "Average Difference" HA 86 0.356 0.045 0.355 19012 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19012 106 1 18 "Average Difference" CA 95 2.881 2.684 1.051 19012 107 1 18 "Average Difference" CB 86 2.871 2.484 1.449 19012 108 1 18 "Average Difference" HN 93 0.521 -0.163 0.498 19012 109 1 19 "Average Difference" N 94 2.797 -0.280 2.798 19012 110 1 19 "Average Difference" HA 86 0.362 0.050 0.361 19012 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19012 112 1 19 "Average Difference" CA 95 2.836 2.646 1.026 19012 113 1 19 "Average Difference" CB 86 2.947 2.566 1.458 19012 114 1 19 "Average Difference" HN 93 0.547 -0.190 0.515 19012 115 1 20 "Average Difference" N 94 2.909 0.006 2.924 19012 116 1 20 "Average Difference" HA 86 0.359 0.042 0.358 19012 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19012 118 1 20 "Average Difference" CA 95 2.943 2.729 1.106 19012 119 1 20 "Average Difference" CB 86 2.812 2.502 1.290 19012 120 1 20 "Average Difference" HN 93 0.504 -0.155 0.482 19012 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 19012 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 GLU N N 2 119.968 119.968 121.796 -1.828 19012 2 1 . 1 1 2 2 GLU HA H 2 4.009 4.009 4.428 -0.419 19012 3 1 . 1 1 2 2 GLU CA C 2 53.190 53.190 55.993 -2.803 19012 4 1 . 1 1 2 2 GLU CB C 2 27.574 27.574 31.054 -3.480 19012 5 1 . 1 1 2 2 GLU H H 2 8.212 8.212 8.430 -0.218 19012 6 1 . 1 1 3 3 ASP N N 3 122.057 122.057 123.420 -1.362 19012 7 1 . 1 1 3 3 ASP HA H 3 4.509 4.509 4.818 -0.309 19012 8 1 . 1 1 3 3 ASP CA C 3 50.691 50.691 53.705 -3.014 19012 9 1 . 1 1 3 3 ASP CB C 3 38.121 38.121 40.668 -2.547 19012 10 1 . 1 1 3 3 ASP H H 3 8.209 8.209 8.360 -0.150 19012 11 1 . 1 1 4 4 TRP N N 4 121.397 121.397 123.123 -1.726 19012 12 1 . 1 1 4 4 TRP HA H 4 4.749 4.749 4.905 -0.156 19012 13 1 . 1 1 4 4 TRP CA C 4 53.792 53.792 56.508 -2.715 19012 14 1 . 1 1 4 4 TRP CB C 4 27.994 27.994 31.076 -3.082 19012 15 1 . 1 1 4 4 TRP H H 4 7.614 7.614 8.147 -0.533 19012 16 1 . 1 1 5 5 THR N N 5 117.669 117.669 115.972 1.697 19012 17 1 . 1 1 5 5 THR HA H 5 4.733 4.733 4.511 0.222 19012 18 1 . 1 1 5 5 THR CA C 5 57.170 57.170 61.430 -4.260 19012 19 1 . 1 1 5 5 THR CB C 5 68.444 68.444 69.791 -1.347 19012 20 1 . 1 1 5 5 THR H H 5 9.387 9.387 8.772 0.615 19012 21 1 . 1 1 6 6 GLU N N 6 121.359 121.359 120.270 1.089 19012 22 1 . 1 1 6 6 GLU HA H 6 4.283 4.283 4.195 0.088 19012 23 1 . 1 1 6 6 GLU CA C 6 53.743 53.743 57.010 -3.267 19012 24 1 . 1 1 6 6 GLU CB C 6 28.184 28.184 29.978 -1.794 19012 25 1 . 1 1 6 6 GLU H H 6 8.027 8.027 8.597 -0.570 19012 26 1 . 1 1 7 7 LEU N N 7 126.701 126.701 126.295 0.406 19012 27 1 . 1 1 7 7 LEU HA H 7 4.217 4.217 4.298 -0.081 19012 28 1 . 1 1 7 7 LEU CA C 7 52.720 52.720 55.481 -2.761 19012 29 1 . 1 1 7 7 LEU CB C 7 40.595 40.595 42.520 -1.925 19012 30 1 . 1 1 7 7 LEU H H 7 8.626 8.626 8.519 0.107 19012 31 1 . 1 1 8 8 ASN N N 8 121.528 121.528 122.481 -0.953 19012 32 1 . 1 1 8 8 ASN HA H 8 4.611 4.611 5.023 -0.412 19012 33 1 . 1 1 8 8 ASN CA C 8 49.652 49.652 52.223 -2.571 19012 34 1 . 1 1 8 8 ASN CB C 8 38.102 38.102 41.645 -3.543 19012 35 1 . 1 1 8 8 ASN H H 8 9.218 9.218 8.530 0.688 19012 36 1 . 1 1 9 9 SER N N 9 109.319 109.319 115.918 -6.599 19012 37 1 . 1 1 9 9 SER HA H 9 4.045 4.045 4.315 -0.270 19012 38 1 . 1 1 9 9 SER CA C 9 58.381 58.381 60.791 -2.410 19012 39 1 . 1 1 9 9 SER CB C 9 60.521 60.521 62.743 -2.222 19012 40 1 . 1 1 9 9 SER H H 9 8.268 8.268 8.879 -0.611 19012 41 1 . 1 1 10 10 ASN N N 10 117.403 117.403 117.519 -0.116 19012 42 1 . 1 1 10 10 ASN HA H 10 4.872 4.872 4.775 0.097 19012 43 1 . 1 1 10 10 ASN CA C 10 52.508 52.508 54.814 -2.306 19012 44 1 . 1 1 10 10 ASN CB C 10 37.905 37.905 39.155 -1.250 19012 45 1 . 1 1 10 10 ASN H H 10 8.610 8.610 8.452 0.158 19012 46 1 . 1 1 11 11 ASN N N 11 119.053 119.053 118.735 0.318 19012 47 1 . 1 1 11 11 ASN HA H 11 4.396 4.396 4.671 -0.275 19012 48 1 . 1 1 11 11 ASN CA C 11 51.832 51.832 55.039 -3.207 19012 49 1 . 1 1 11 11 ASN CB C 11 34.355 34.355 38.402 -4.047 19012 50 1 . 1 1 11 11 ASN H H 11 8.614 8.614 8.164 0.450 19012 51 1 . 1 1 12 12 ILE N N 12 117.943 117.943 119.047 -1.104 19012 52 1 . 1 1 12 12 ILE HA H 12 4.185 4.185 4.224 -0.039 19012 53 1 . 1 1 12 12 ILE CA C 12 55.309 55.309 61.063 -5.754 19012 54 1 . 1 1 12 12 ILE CB C 12 36.651 36.651 38.441 -1.790 19012 55 1 . 1 1 12 12 ILE H H 12 7.041 7.041 7.422 -0.381 19012 56 1 . 1 1 13 13 ILE N N 13 118.354 118.354 120.642 -2.288 19012 57 1 . 1 1 13 13 ILE HA H 13 3.800 3.800 4.291 -0.491 19012 58 1 . 1 1 13 13 ILE CA C 13 58.469 58.469 61.057 -2.587 19012 59 1 . 1 1 13 13 ILE CB C 13 34.584 34.584 35.486 -0.902 19012 60 1 . 1 1 13 13 ILE H H 13 6.635 6.635 7.525 -0.890 19012 61 1 . 1 1 14 14 GLY N N 14 114.150 114.150 114.375 -0.225 19012 62 1 . 1 1 14 14 GLY CA C 14 41.496 41.496 44.867 -3.371 19012 63 1 . 1 1 14 14 GLY H H 14 8.842 8.842 8.470 0.372 19012 64 1 . 1 1 15 15 TYR N N 15 119.014 119.014 119.217 -0.203 19012 65 1 . 1 1 15 15 TYR HA H 15 4.961 4.961 5.016 -0.055 19012 66 1 . 1 1 15 15 TYR CA C 15 54.499 54.499 57.574 -3.075 19012 67 1 . 1 1 15 15 TYR CB C 15 38.075 38.075 40.804 -2.729 19012 68 1 . 1 1 15 15 TYR H H 15 8.264 8.264 8.178 0.086 19012 69 1 . 1 1 16 16 TRP N N 16 124.101 124.101 120.284 3.817 19012 70 1 . 1 1 16 16 TRP HA H 16 5.175 5.175 5.378 -0.203 19012 71 1 . 1 1 16 16 TRP CA C 16 52.970 52.970 56.615 -3.645 19012 72 1 . 1 1 16 16 TRP CB C 16 28.341 28.341 33.144 -4.803 19012 73 1 . 1 1 16 16 TRP H H 16 9.497 9.497 8.984 0.513 19012 74 1 . 1 1 17 17 SER N N 17 115.863 115.863 116.134 -0.271 19012 75 1 . 1 1 17 17 SER HA H 17 6.272 6.272 5.544 0.728 19012 76 1 . 1 1 17 17 SER CA C 17 53.039 53.039 56.374 -3.335 19012 77 1 . 1 1 17 17 SER CB C 17 63.415 63.415 65.613 -2.198 19012 78 1 . 1 1 17 17 SER H H 17 9.182 9.182 9.132 0.050 19012 79 1 . 1 1 18 18 THR N N 18 119.520 119.520 117.221 2.299 19012 80 1 . 1 1 18 18 THR CB C 18 67.199 67.199 69.492 -2.293 19012 81 1 . 1 1 18 18 THR H H 18 8.996 8.996 8.646 0.350 19012 82 1 . 1 1 19 19 GLY N N 19 110.006 110.006 109.034 0.972 19012 83 1 . 1 1 19 19 GLY CA C 19 42.615 42.615 45.113 -2.498 19012 84 1 . 1 1 19 19 GLY H H 19 8.206 8.206 7.530 0.676 19012 85 1 . 1 1 20 20 ILE N N 20 111.313 111.313 113.094 -1.781 19012 86 1 . 1 1 20 20 ILE HA H 20 3.519 3.519 3.808 -0.289 19012 87 1 . 1 1 20 20 ILE CA C 20 57.765 57.765 60.367 -2.602 19012 88 1 . 1 1 20 20 ILE CB C 20 37.839 37.839 38.908 -1.068 19012 89 1 . 1 1 20 20 ILE H H 20 7.953 7.953 8.140 -0.187 19012 90 1 . 1 1 21 21 GLU N N 21 119.547 119.547 119.882 -0.335 19012 91 1 . 1 1 21 21 GLU HA H 21 4.463 4.463 4.664 -0.201 19012 92 1 . 1 1 21 21 GLU CA C 21 52.227 52.227 54.948 -2.721 19012 93 1 . 1 1 21 21 GLU CB C 21 29.468 29.468 31.585 -2.117 19012 94 1 . 1 1 21 21 GLU H H 21 7.514 7.514 7.549 -0.035 19012 95 1 . 1 1 22 22 GLY N N 22 109.534 109.534 109.507 0.027 19012 96 1 . 1 1 22 22 GLY CA C 22 43.582 43.582 46.770 -3.188 19012 97 1 . 1 1 22 22 GLY H H 22 8.457 8.457 8.705 -0.249 19012 98 1 . 1 1 23 23 THR N N 23 124.632 124.632 118.997 5.635 19012 99 1 . 1 1 23 23 THR HA H 23 5.271 5.271 5.035 0.236 19012 100 1 . 1 1 23 23 THR CA C 23 60.060 60.060 61.750 -1.690 19012 101 1 . 1 1 23 23 THR CB C 23 65.680 65.680 70.299 -4.619 19012 102 1 . 1 1 23 23 THR H H 23 8.881 8.881 8.118 0.763 19012 103 1 . 1 1 24 24 HIS N N 24 122.881 122.881 122.514 0.367 19012 104 1 . 1 1 24 24 HIS HA H 24 4.780 4.780 5.094 -0.314 19012 105 1 . 1 1 24 24 HIS CA C 24 50.970 50.970 54.105 -3.135 19012 106 1 . 1 1 24 24 HIS CB C 24 27.898 27.898 32.198 -4.300 19012 107 1 . 1 1 24 24 HIS H H 24 8.919 8.919 8.639 0.280 19012 108 1 . 1 1 25 25 LYS N N 25 119.738 119.738 118.764 0.974 19012 109 1 . 1 1 25 25 LYS HA H 25 5.437 5.437 5.108 0.329 19012 110 1 . 1 1 25 25 LYS CA C 25 52.650 52.650 55.597 -2.947 19012 111 1 . 1 1 25 25 LYS CB C 25 33.277 33.277 36.170 -2.893 19012 112 1 . 1 1 25 25 LYS H H 25 8.816 8.816 8.819 -0.003 19012 113 1 . 1 1 26 26 LEU N N 26 126.017 126.017 122.966 3.051 19012 114 1 . 1 1 26 26 LEU HA H 26 5.825 5.825 5.334 0.491 19012 115 1 . 1 1 26 26 LEU CA C 26 51.614 51.614 53.284 -1.670 19012 116 1 . 1 1 26 26 LEU CB C 26 44.544 44.544 45.534 -0.990 19012 117 1 . 1 1 26 26 LEU H H 26 9.420 9.420 8.831 0.589 19012 118 1 . 1 1 27 27 LEU N N 27 128.825 128.825 124.591 4.234 19012 119 1 . 1 1 27 27 LEU HA H 27 5.417 5.417 5.230 0.187 19012 120 1 . 1 1 27 27 LEU CA C 27 50.740 50.740 53.664 -2.924 19012 121 1 . 1 1 27 27 LEU CB C 27 44.569 44.569 46.133 -1.564 19012 122 1 . 1 1 27 27 LEU H H 27 9.475 9.475 8.655 0.820 19012 123 1 . 1 1 28 28 SER N N 28 117.701 117.701 114.071 3.630 19012 124 1 . 1 1 28 28 SER HA H 28 5.337 5.337 5.215 0.122 19012 125 1 . 1 1 28 28 SER CA C 28 53.530 53.530 56.671 -3.141 19012 126 1 . 1 1 28 28 SER CB C 28 63.368 63.368 65.666 -2.298 19012 127 1 . 1 1 28 28 SER H H 28 8.859 8.859 8.193 0.666 19012 128 1 . 1 1 29 29 PHE N N 29 117.319 117.319 120.417 -3.098 19012 129 1 . 1 1 29 29 PHE HA H 29 4.679 4.679 4.844 -0.165 19012 130 1 . 1 1 29 29 PHE CA C 29 54.565 54.565 57.598 -3.033 19012 131 1 . 1 1 29 29 PHE CB C 29 39.104 39.104 42.581 -3.477 19012 132 1 . 1 1 29 29 PHE H H 29 8.401 8.401 8.698 -0.297 19012 133 1 . 1 1 30 30 ASP N N 30 123.741 123.741 124.218 -0.477 19012 134 1 . 1 1 30 30 ASP HA H 30 5.217 5.217 4.979 0.238 19012 135 1 . 1 1 30 30 ASP CA C 30 50.408 50.408 53.521 -3.113 19012 136 1 . 1 1 30 30 ASP CB C 30 41.148 41.148 43.100 -1.952 19012 137 1 . 1 1 30 30 ASP H H 30 9.573 9.573 8.645 0.928 19012 138 1 . 1 1 31 31 GLU N N 31 127.123 127.123 119.745 7.378 19012 139 1 . 1 1 31 31 GLU HA H 31 4.127 4.127 4.266 -0.139 19012 140 1 . 1 1 31 31 GLU CA C 31 56.324 56.324 58.684 -2.360 19012 141 1 . 1 1 31 31 GLU CB C 31 27.283 27.283 30.228 -2.945 19012 142 1 . 1 1 31 31 GLU H H 31 9.718 9.718 8.673 1.045 19012 143 1 . 1 1 32 32 ASP N N 32 119.011 119.011 116.766 2.245 19012 144 1 . 1 1 32 32 ASP HA H 32 4.443 4.443 4.765 -0.322 19012 145 1 . 1 1 32 32 ASP CA C 32 50.919 50.919 53.968 -3.049 19012 146 1 . 1 1 32 32 ASP CB C 32 37.344 37.344 41.146 -3.802 19012 147 1 . 1 1 32 32 ASP H H 32 8.911 8.911 8.201 0.710 19012 148 1 . 1 1 33 33 GLY N N 33 106.215 106.215 109.037 -2.822 19012 149 1 . 1 1 33 33 GLY CA C 33 43.879 43.879 45.025 -1.146 19012 150 1 . 1 1 33 33 GLY H H 33 7.781 7.781 8.068 -0.287 19012 151 1 . 1 1 34 34 THR N N 34 111.570 111.570 112.363 -0.793 19012 152 1 . 1 1 34 34 THR HA H 34 5.474 5.474 4.604 0.870 19012 153 1 . 1 1 34 34 THR CA C 34 57.389 57.389 60.606 -3.217 19012 154 1 . 1 1 34 34 THR CB C 34 69.991 69.991 71.544 -1.553 19012 155 1 . 1 1 34 34 THR H H 34 7.863 7.863 7.796 0.067 19012 156 1 . 1 1 35 35 GLY N N 35 106.781 106.781 107.319 -0.538 19012 157 1 . 1 1 35 35 GLY CA C 35 43.233 43.233 43.281 -0.048 19012 158 1 . 1 1 35 35 GLY H H 35 8.235 8.235 8.439 -0.204 19012 159 1 . 1 1 36 36 SER N N 36 113.807 113.807 113.302 0.505 19012 160 1 . 1 1 36 36 SER HA H 36 4.659 4.659 4.885 -0.226 19012 161 1 . 1 1 36 36 SER CA C 36 54.509 54.509 56.999 -2.490 19012 162 1 . 1 1 36 36 SER CB C 36 64.821 64.821 66.793 -1.972 19012 163 1 . 1 1 36 36 SER H H 36 8.182 8.182 8.105 0.077 19012 164 1 . 1 1 37 37 PHE N N 37 120.041 120.041 122.851 -2.810 19012 165 1 . 1 1 37 37 PHE HA H 37 5.885 5.885 5.227 0.658 19012 166 1 . 1 1 37 37 PHE CA C 37 52.308 52.308 56.136 -3.828 19012 167 1 . 1 1 37 37 PHE CB C 37 41.174 41.174 43.150 -1.976 19012 168 1 . 1 1 37 37 PHE H H 37 8.829 8.829 8.476 0.353 19012 169 1 . 1 1 38 38 GLY N N 38 115.263 115.263 113.208 2.055 19012 170 1 . 1 1 38 38 GLY CA C 38 42.092 42.092 43.521 -1.429 19012 171 1 . 1 1 38 38 GLY H H 38 8.936 8.936 8.789 0.147 19012 172 1 . 1 1 39 39 ILE N N 39 119.791 119.791 121.603 -1.812 19012 173 1 . 1 1 39 39 ILE HA H 39 4.292 4.292 4.550 -0.258 19012 174 1 . 1 1 39 39 ILE CA C 39 58.280 58.280 60.597 -2.317 19012 175 1 . 1 1 39 39 ILE CB C 39 36.838 36.838 40.701 -3.863 19012 176 1 . 1 1 39 39 ILE H H 39 7.724 7.724 7.781 -0.057 19012 177 1 . 1 1 40 40 TYR N N 40 125.748 125.748 124.801 0.947 19012 178 1 . 1 1 40 40 TYR HA H 40 4.742 4.742 5.084 -0.342 19012 179 1 . 1 1 40 40 TYR CA C 40 53.881 53.881 56.372 -2.491 19012 180 1 . 1 1 40 40 TYR CB C 40 39.894 39.894 41.952 -2.058 19012 181 1 . 1 1 40 40 TYR H H 40 8.782 8.782 9.081 -0.299 19012 182 1 . 1 1 41 41 SER N N 41 114.721 114.721 117.849 -3.128 19012 183 1 . 1 1 41 41 SER HA H 41 4.689 4.689 4.886 -0.197 19012 184 1 . 1 1 41 41 SER CA C 41 53.337 53.337 57.827 -4.490 19012 185 1 . 1 1 41 41 SER CB C 41 60.205 60.205 64.108 -3.903 19012 186 1 . 1 1 41 41 SER H H 41 8.708 8.708 8.748 -0.040 19012 187 1 . 1 1 42 42 ASN N N 42 124.063 124.063 125.684 -1.621 19012 188 1 . 1 1 42 42 ASN HA H 42 4.298 4.298 4.395 -0.097 19012 189 1 . 1 1 42 42 ASN CA C 42 54.083 54.083 56.853 -2.770 19012 190 1 . 1 1 42 42 ASN CB C 42 34.720 34.720 38.167 -3.447 19012 191 1 . 1 1 42 42 ASN H H 42 9.239 9.239 9.174 0.065 19012 192 1 . 1 1 43 43 ALA N N 43 125.505 125.505 122.264 3.241 19012 193 1 . 1 1 43 43 ALA HA H 43 4.576 4.576 4.769 -0.193 19012 194 1 . 1 1 43 43 ALA CA C 43 50.170 50.170 52.198 -2.028 19012 195 1 . 1 1 43 43 ALA CB C 43 16.678 16.678 20.182 -3.504 19012 196 1 . 1 1 43 43 ALA H H 43 8.468 8.468 8.005 0.463 19012 197 1 . 1 1 44 44 THR N N 44 119.056 119.056 116.891 2.165 19012 198 1 . 1 1 44 44 THR HA H 44 4.550 4.550 4.786 -0.236 19012 199 1 . 1 1 44 44 THR CA C 44 58.028 58.028 59.975 -1.947 19012 200 1 . 1 1 44 44 THR CB C 44 68.176 68.176 70.553 -2.376 19012 201 1 . 1 1 44 44 THR H H 44 8.420 8.420 8.134 0.286 19012 202 1 . 1 1 45 45 PRO HA H 45 3.797 3.797 3.936 -0.139 19012 203 1 . 1 1 45 45 PRO CA C 45 60.280 60.280 62.906 -2.626 19012 204 1 . 1 1 45 45 PRO CB C 45 28.488 28.488 31.975 -3.487 19012 205 1 . 1 1 46 46 ILE N N 46 124.607 124.607 121.746 2.861 19012 206 1 . 1 1 46 46 ILE HA H 46 4.023 4.023 4.303 -0.280 19012 207 1 . 1 1 46 46 ILE CA C 46 58.609 58.609 60.950 -2.341 19012 208 1 . 1 1 46 46 ILE CB C 46 35.652 35.652 38.867 -3.215 19012 209 1 . 1 1 46 46 ILE H H 46 8.998 8.998 8.530 0.468 19012 210 1 . 1 1 47 47 SER N N 47 112.826 112.826 115.513 -2.687 19012 211 1 . 1 1 47 47 SER HA H 47 4.474 4.474 4.666 -0.192 19012 212 1 . 1 1 47 47 SER CA C 47 54.926 54.926 57.728 -2.802 19012 213 1 . 1 1 47 47 SER CB C 47 62.419 62.419 65.215 -2.796 19012 214 1 . 1 1 47 47 SER H H 47 7.439 7.439 7.492 -0.053 19012 215 1 . 1 1 48 48 PHE N N 48 123.266 123.266 121.575 1.691 19012 216 1 . 1 1 48 48 PHE HA H 48 5.194 5.194 4.918 0.276 19012 217 1 . 1 1 48 48 PHE CA C 48 55.624 55.624 57.912 -2.288 19012 218 1 . 1 1 48 48 PHE CB C 48 40.000 40.000 41.938 -1.938 19012 219 1 . 1 1 48 48 PHE H H 48 8.238 8.238 8.397 -0.159 19012 220 1 . 1 1 49 49 GLN N N 49 123.564 123.564 122.220 1.344 19012 221 1 . 1 1 49 49 GLN HA H 49 4.935 4.935 4.563 0.372 19012 222 1 . 1 1 49 49 GLN CA C 49 51.294 51.294 54.525 -3.231 19012 223 1 . 1 1 49 49 GLN CB C 49 29.688 29.688 32.264 -2.576 19012 224 1 . 1 1 49 49 GLN H H 49 8.607 8.607 8.181 0.426 19012 225 1 . 1 1 50 50 MET N N 50 120.626 120.626 118.077 2.549 19012 226 1 . 1 1 50 50 MET HA H 50 4.637 4.637 5.008 -0.371 19012 227 1 . 1 1 50 50 MET CA C 50 51.562 51.562 54.685 -3.123 19012 228 1 . 1 1 50 50 MET CB C 50 33.549 33.549 37.851 -4.302 19012 229 1 . 1 1 50 50 MET H H 50 9.071 9.071 8.322 0.749 19012 230 1 . 1 1 51 51 PHE N N 51 112.996 112.996 115.136 -2.140 19012 231 1 . 1 1 51 51 PHE HA H 51 4.928 4.928 5.152 -0.224 19012 232 1 . 1 1 51 51 PHE CA C 51 53.899 53.899 56.260 -2.361 19012 233 1 . 1 1 51 51 PHE CB C 51 38.018 38.018 40.955 -2.937 19012 234 1 . 1 1 52 52 ASP N N 52 118.727 118.727 120.663 -1.936 19012 235 1 . 1 1 52 52 ASP HA H 52 5.640 5.640 4.725 0.915 19012 236 1 . 1 1 52 52 ASP CA C 52 50.264 50.264 54.107 -3.843 19012 237 1 . 1 1 52 52 ASP CB C 52 38.971 38.971 43.255 -4.284 19012 238 1 . 1 1 52 52 ASP H H 52 8.469 8.469 8.177 0.292 19012 239 1 . 1 1 53 53 TYR N N 53 115.709 115.709 115.349 0.360 19012 240 1 . 1 1 53 53 TYR HA H 53 6.351 6.351 5.604 0.747 19012 241 1 . 1 1 53 53 TYR CA C 53 53.296 53.296 56.218 -2.922 19012 242 1 . 1 1 53 53 TYR CB C 53 40.764 40.764 42.046 -1.282 19012 243 1 . 1 1 53 53 TYR H H 53 8.725 8.725 8.220 0.505 19012 244 1 . 1 1 54 54 LYS N N 54 118.766 118.766 119.513 -0.747 19012 245 1 . 1 1 54 54 LYS HA H 54 4.445 4.445 4.690 -0.245 19012 246 1 . 1 1 54 54 LYS CA C 54 52.187 52.187 54.441 -2.254 19012 247 1 . 1 1 54 54 LYS CB C 54 34.819 34.819 37.028 -2.209 19012 248 1 . 1 1 54 54 LYS H H 54 8.972 8.972 8.824 0.148 19012 249 1 . 1 1 55 55 ILE N N 55 122.406 122.406 122.426 -0.019 19012 250 1 . 1 1 55 55 ILE HA H 55 4.796 4.796 4.928 -0.132 19012 251 1 . 1 1 55 55 ILE CA C 55 56.172 56.172 59.568 -3.396 19012 252 1 . 1 1 55 55 ILE CB C 55 33.404 33.404 36.741 -3.337 19012 253 1 . 1 1 55 55 ILE H H 55 8.832 8.832 8.630 0.202 19012 254 1 . 1 1 56 56 GLU N N 56 128.507 128.507 126.150 2.357 19012 255 1 . 1 1 56 56 GLU HA H 56 4.575 4.575 4.501 0.074 19012 256 1 . 1 1 56 56 GLU CA C 56 52.300 52.300 56.342 -4.042 19012 257 1 . 1 1 56 56 GLU CB C 56 30.432 30.432 30.838 -0.406 19012 258 1 . 1 1 56 56 GLU H H 56 8.787 8.787 8.880 -0.093 19012 259 1 . 1 1 57 57 GLU N N 57 125.606 125.606 118.460 7.146 19012 260 1 . 1 1 57 57 GLU HA H 57 3.809 3.809 4.404 -0.595 19012 261 1 . 1 1 57 57 GLU CA C 57 54.254 54.254 56.778 -2.524 19012 262 1 . 1 1 57 57 GLU CB C 57 25.445 25.445 30.236 -4.791 19012 263 1 . 1 1 57 57 GLU H H 57 9.296 9.296 8.388 0.908 19012 264 1 . 1 1 58 58 GLY N N 58 103.913 103.913 107.856 -3.943 19012 265 1 . 1 1 58 58 GLY CA C 58 43.401 43.401 45.950 -2.549 19012 266 1 . 1 1 58 58 GLY H H 58 8.267 8.267 8.527 -0.260 19012 267 1 . 1 1 59 59 ARG N N 59 119.125 119.125 117.126 1.999 19012 268 1 . 1 1 59 59 ARG HA H 59 4.787 4.787 4.681 0.106 19012 269 1 . 1 1 59 59 ARG CA C 59 51.812 51.812 54.132 -2.320 19012 270 1 . 1 1 59 59 ARG CB C 59 32.023 32.023 33.883 -1.860 19012 271 1 . 1 1 59 59 ARG H H 59 7.840 7.840 7.552 0.288 19012 272 1 . 1 1 60 60 ILE N N 60 118.464 118.464 120.232 -1.768 19012 273 1 . 1 1 60 60 ILE HA H 60 4.409 4.409 4.547 -0.138 19012 274 1 . 1 1 60 60 ILE CA C 60 58.461 58.461 61.135 -2.674 19012 275 1 . 1 1 60 60 ILE CB C 60 36.943 36.943 38.875 -1.932 19012 276 1 . 1 1 60 60 ILE H H 60 8.150 8.150 8.479 -0.329 19012 277 1 . 1 1 61 61 TYR N N 61 130.267 130.267 129.672 0.595 19012 278 1 . 1 1 61 61 TYR HA H 61 4.399 4.399 4.630 -0.231 19012 279 1 . 1 1 61 61 TYR CA C 61 53.435 53.435 56.377 -2.942 19012 280 1 . 1 1 61 61 TYR CB C 61 37.443 37.443 39.190 -1.747 19012 281 1 . 1 1 61 61 TYR H H 61 9.304 9.304 8.964 0.340 19012 282 1 . 1 1 62 62 ILE N N 62 129.152 129.152 127.594 1.558 19012 283 1 . 1 1 62 62 ILE HA H 62 4.035 4.035 4.175 -0.140 19012 284 1 . 1 1 62 62 ILE CA C 62 55.538 55.538 58.757 -3.219 19012 285 1 . 1 1 62 62 ILE CB C 62 33.654 33.654 37.697 -4.043 19012 286 1 . 1 1 62 62 ILE H H 62 8.326 8.326 8.541 -0.215 19012 287 1 . 1 1 63 63 TYR N N 63 119.836 119.836 120.417 -0.581 19012 288 1 . 1 1 63 63 TYR HA H 63 4.563 4.563 4.467 0.096 19012 289 1 . 1 1 63 63 TYR CA C 63 52.035 52.035 56.451 -4.416 19012 290 1 . 1 1 63 63 TYR CB C 63 36.267 36.267 40.119 -3.852 19012 291 1 . 1 1 63 63 TYR H H 63 8.397 8.397 8.096 0.301 19012 292 1 . 1 1 64 64 ASP N N 64 117.747 117.747 120.816 -3.069 19012 293 1 . 1 1 64 64 ASP HA H 64 4.270 4.270 4.706 -0.436 19012 294 1 . 1 1 64 64 ASP CA C 64 51.384 51.384 54.052 -2.668 19012 295 1 . 1 1 64 64 ASP CB C 64 35.510 35.510 42.748 -7.238 19012 296 1 . 1 1 64 64 ASP H H 64 8.570 8.570 7.614 0.956 19012 297 1 . 1 1 65 65 VAL N N 65 117.619 117.619 123.072 -5.453 19012 298 1 . 1 1 65 65 VAL HA H 65 4.329 4.329 4.958 -0.629 19012 299 1 . 1 1 65 65 VAL CA C 65 61.015 61.015 60.487 0.528 19012 300 1 . 1 1 65 65 VAL CB C 65 29.350 29.350 35.146 -5.796 19012 301 1 . 1 1 65 65 VAL H H 65 8.116 8.116 8.182 -0.066 19012 302 1 . 1 1 66 66 TYR N N 66 127.317 127.317 125.092 2.225 19012 303 1 . 1 1 66 66 TYR HA H 66 4.567 4.567 5.084 -0.517 19012 304 1 . 1 1 66 66 TYR CA C 66 53.116 53.116 55.906 -2.789 19012 305 1 . 1 1 66 66 TYR CB C 66 39.090 39.090 40.661 -1.571 19012 306 1 . 1 1 66 66 TYR H H 66 8.911 8.911 8.776 0.135 19012 307 1 . 1 1 67 67 PRO HA H 67 3.778 3.778 4.285 -0.507 19012 308 1 . 1 1 67 67 PRO CA C 67 60.736 60.736 63.743 -3.007 19012 309 1 . 1 1 67 67 PRO CB C 67 32.039 32.039 31.725 0.314 19012 310 1 . 1 1 68 68 ASP N N 68 122.446 122.446 120.259 2.187 19012 311 1 . 1 1 68 68 ASP HA H 68 4.595 4.595 4.736 -0.141 19012 312 1 . 1 1 68 68 ASP CA C 68 51.405 51.405 53.325 -1.920 19012 313 1 . 1 1 68 68 ASP CB C 68 37.732 37.732 41.446 -3.714 19012 314 1 . 1 1 68 68 ASP H H 68 8.017 8.017 7.878 0.139 19012 315 1 . 1 1 69 69 GLU N N 69 121.842 121.842 121.787 0.055 19012 316 1 . 1 1 69 69 GLU HA H 69 4.167 4.167 4.347 -0.180 19012 317 1 . 1 1 69 69 GLU CA C 69 54.191 54.191 56.369 -2.178 19012 318 1 . 1 1 69 69 GLU CB C 69 27.200 27.200 30.553 -3.353 19012 319 1 . 1 1 69 69 GLU H H 69 8.109 8.109 8.496 -0.387 19012 320 1 . 1 1 70 70 LYS N N 70 121.975 121.975 122.454 -0.479 19012 321 1 . 1 1 70 70 LYS HA H 70 4.532 4.532 4.485 0.047 19012 322 1 . 1 1 70 70 LYS CA C 70 52.097 52.097 54.725 -2.628 19012 323 1 . 1 1 70 70 LYS CB C 70 33.247 33.247 33.899 -0.652 19012 324 1 . 1 1 70 70 LYS H H 70 7.646 7.646 8.297 -0.651 19012 325 1 . 1 1 71 71 THR N N 71 120.177 120.177 117.414 2.763 19012 326 1 . 1 1 71 71 THR HA H 71 4.386 4.386 4.335 0.051 19012 327 1 . 1 1 71 71 THR CA C 71 58.759 58.759 60.577 -1.818 19012 328 1 . 1 1 71 71 THR CB C 71 66.724 66.724 69.340 -2.616 19012 329 1 . 1 1 71 71 THR H H 71 8.258 8.258 8.386 -0.128 19012 330 1 . 1 1 72 72 PRO HA H 72 4.389 4.389 4.184 0.205 19012 331 1 . 1 1 72 72 PRO CA C 72 61.688 61.688 62.899 -1.211 19012 332 1 . 1 1 72 72 PRO CB C 72 31.440 31.440 32.293 -0.853 19012 333 1 . 1 1 73 73 TYR N N 73 118.747 118.747 117.744 1.003 19012 334 1 . 1 1 73 73 TYR HA H 73 4.857 4.857 4.832 0.025 19012 335 1 . 1 1 73 73 TYR CA C 73 52.643 52.643 55.797 -3.154 19012 336 1 . 1 1 73 73 TYR CB C 73 37.470 37.470 39.358 -1.888 19012 337 1 . 1 1 73 73 TYR H H 73 7.988 7.988 7.811 0.177 19012 338 1 . 1 1 74 74 TYR N N 74 114.692 114.692 119.229 -4.537 19012 339 1 . 1 1 74 74 TYR HA H 74 5.548 5.548 5.512 0.036 19012 340 1 . 1 1 74 74 TYR CA C 74 53.855 53.855 57.415 -3.560 19012 341 1 . 1 1 74 74 TYR CB C 74 39.316 39.316 40.331 -1.015 19012 342 1 . 1 1 74 74 TYR H H 74 8.370 8.370 8.624 -0.254 19012 343 1 . 1 1 75 75 LEU N N 75 120.717 120.717 124.710 -3.994 19012 344 1 . 1 1 75 75 LEU HA H 75 4.456 4.456 4.633 -0.177 19012 345 1 . 1 1 75 75 LEU CA C 75 50.648 50.648 53.788 -3.140 19012 346 1 . 1 1 75 75 LEU CB C 75 41.979 41.979 44.340 -2.361 19012 347 1 . 1 1 75 75 LEU H H 75 9.467 9.467 9.013 0.454 19012 348 1 . 1 1 76 76 ASP N N 76 123.675 123.675 124.849 -1.174 19012 349 1 . 1 1 76 76 ASP HA H 76 5.041 5.041 4.666 0.375 19012 350 1 . 1 1 76 76 ASP CA C 76 51.324 51.324 55.364 -4.040 19012 351 1 . 1 1 76 76 ASP CB C 76 39.376 39.376 41.089 -1.713 19012 352 1 . 1 1 76 76 ASP H H 76 7.825 7.825 8.771 -0.946 19012 353 1 . 1 1 77 77 CYS N N 77 118.147 118.147 119.158 -1.011 19012 354 1 . 1 1 77 77 CYS HA H 77 5.514 5.514 5.175 0.339 19012 355 1 . 1 1 77 77 CYS CA C 77 53.205 53.205 55.887 -2.682 19012 356 1 . 1 1 77 77 CYS CB C 77 30.347 30.347 32.012 -1.665 19012 357 1 . 1 1 77 77 CYS H H 77 8.504 8.504 8.343 0.161 19012 358 1 . 1 1 78 78 LYS N N 78 119.791 119.791 118.306 1.485 19012 359 1 . 1 1 78 78 LYS HA H 78 4.398 4.398 4.525 -0.127 19012 360 1 . 1 1 78 78 LYS CA C 78 52.033 52.033 54.579 -2.546 19012 361 1 . 1 1 78 78 LYS CB C 78 33.618 33.618 35.496 -1.878 19012 362 1 . 1 1 78 78 LYS H H 78 8.483 8.483 8.420 0.063 19012 363 1 . 1 1 79 79 ILE N N 79 122.179 122.179 119.941 2.238 19012 364 1 . 1 1 79 79 ILE HA H 79 5.410 5.410 5.030 0.380 19012 365 1 . 1 1 79 79 ILE CA C 79 56.581 56.581 59.800 -3.219 19012 366 1 . 1 1 79 79 ILE CB C 79 41.302 41.302 42.078 -0.776 19012 367 1 . 1 1 79 79 ILE H H 79 8.923 8.923 8.564 0.359 19012 368 1 . 1 1 80 80 SER N N 80 122.640 122.640 120.345 2.295 19012 369 1 . 1 1 80 80 SER HA H 80 4.760 4.760 5.054 -0.294 19012 370 1 . 1 1 80 80 SER CB C 80 62.504 62.504 64.643 -2.139 19012 371 1 . 1 1 80 80 SER H H 80 9.150 9.150 9.041 0.108 19012 372 1 . 1 1 81 81 GLY N N 81 111.781 111.781 110.858 0.923 19012 373 1 . 1 1 81 81 GLY CA C 81 44.910 44.910 46.111 -1.201 19012 374 1 . 1 1 81 81 GLY H H 81 8.832 8.832 8.398 0.434 19012 375 1 . 1 1 82 82 THR N N 82 110.902 110.902 113.759 -2.857 19012 376 1 . 1 1 82 82 THR HA H 82 4.541 4.541 4.493 0.048 19012 377 1 . 1 1 82 82 THR CA C 82 58.833 58.833 62.246 -3.413 19012 378 1 . 1 1 82 82 THR H H 82 8.284 8.284 8.139 0.145 19012 379 1 . 1 1 83 83 THR N N 83 119.808 119.808 119.641 0.167 19012 380 1 . 1 1 83 83 THR HA H 83 5.576 5.576 5.246 0.330 19012 381 1 . 1 1 83 83 THR CA C 83 59.711 59.711 62.480 -2.769 19012 382 1 . 1 1 83 83 THR CB C 83 68.486 68.486 70.475 -1.989 19012 383 1 . 1 1 83 83 THR H H 83 8.178 8.178 7.895 0.283 19012 384 1 . 1 1 84 84 LEU N N 84 128.946 128.946 128.750 0.196 19012 385 1 . 1 1 84 84 LEU HA H 84 4.787 4.787 4.518 0.269 19012 386 1 . 1 1 84 84 LEU CA C 84 50.979 50.979 53.751 -2.772 19012 387 1 . 1 1 84 84 LEU CB C 84 43.114 43.114 43.593 -0.479 19012 388 1 . 1 1 84 84 LEU H H 84 9.103 9.103 9.137 -0.034 19012 389 1 . 1 1 85 85 LYS N N 85 129.439 129.439 127.825 1.614 19012 390 1 . 1 1 85 85 LYS HA H 85 5.220 5.220 4.721 0.499 19012 391 1 . 1 1 85 85 LYS CA C 85 52.028 52.028 54.575 -2.547 19012 392 1 . 1 1 85 85 LYS CB C 85 32.656 32.656 33.452 -0.796 19012 393 1 . 1 1 85 85 LYS H H 85 9.336 9.336 8.681 0.655 19012 394 1 . 1 1 86 86 VAL N N 86 127.719 127.719 127.745 -0.026 19012 395 1 . 1 1 86 86 VAL HA H 86 4.279 4.279 3.874 0.405 19012 396 1 . 1 1 86 86 VAL CA C 86 59.179 59.179 62.955 -3.776 19012 397 1 . 1 1 86 86 VAL CB C 86 29.826 29.826 31.984 -2.158 19012 398 1 . 1 1 86 86 VAL H H 86 9.122 9.122 8.393 0.729 19012 399 1 . 1 1 87 87 GLU N N 87 126.504 126.504 127.446 -0.942 19012 400 1 . 1 1 87 87 GLU HA H 87 4.215 4.215 4.335 -0.120 19012 401 1 . 1 1 87 87 GLU CA C 87 55.427 55.427 57.761 -2.334 19012 402 1 . 1 1 87 87 GLU CB C 87 29.038 29.038 30.790 -1.752 19012 403 1 . 1 1 87 87 GLU H H 87 8.960 8.960 8.909 0.051 19012 404 1 . 1 1 88 88 THR N N 88 109.146 109.146 111.827 -2.681 19012 405 1 . 1 1 88 88 THR HA H 88 4.560 4.560 4.450 0.110 19012 406 1 . 1 1 88 88 THR CA C 88 57.802 57.802 61.231 -3.429 19012 407 1 . 1 1 88 88 THR CB C 88 69.805 69.805 70.809 -1.004 19012 408 1 . 1 1 88 88 THR H H 88 7.079 7.079 7.535 -0.456 19012 409 1 . 1 1 89 89 GLY N N 89 102.665 102.665 110.871 -8.206 19012 410 1 . 1 1 89 89 GLY CA C 89 42.083 42.083 44.584 -2.501 19012 411 1 . 1 1 89 89 GLY H H 89 7.984 7.984 8.046 -0.062 19012 412 1 . 1 1 90 90 SER N N 90 118.973 118.973 116.065 2.908 19012 413 1 . 1 1 90 90 SER HA H 90 4.103 4.103 4.160 -0.057 19012 414 1 . 1 1 90 90 SER CA C 90 58.840 58.840 60.860 -2.020 19012 415 1 . 1 1 90 90 SER CB C 90 60.079 60.079 63.128 -3.049 19012 416 1 . 1 1 90 90 SER H H 90 8.854 8.854 8.722 0.132 19012 417 1 . 1 1 91 91 GLU N N 91 120.699 120.699 118.297 2.402 19012 418 1 . 1 1 91 91 GLU HA H 91 3.676 3.676 4.361 -0.685 19012 419 1 . 1 1 91 91 GLU CA C 91 54.571 54.571 55.399 -0.829 19012 420 1 . 1 1 91 91 GLU CB C 91 26.627 26.627 29.065 -2.438 19012 421 1 . 1 1 91 91 GLU H H 91 10.220 10.220 8.193 2.027 19012 422 1 . 1 1 92 92 ALA N N 92 121.411 121.411 123.096 -1.685 19012 423 1 . 1 1 92 92 ALA HA H 92 3.691 3.691 4.159 -0.468 19012 424 1 . 1 1 92 92 ALA CA C 92 50.916 50.916 53.246 -2.329 19012 425 1 . 1 1 92 92 ALA CB C 92 16.118 16.118 18.189 -2.071 19012 426 1 . 1 1 92 92 ALA H H 92 7.014 7.014 7.345 -0.331 19012 427 1 . 1 1 93 93 GLY N N 93 109.056 109.056 111.744 -2.688 19012 428 1 . 1 1 93 93 GLY CA C 93 42.601 42.601 45.515 -2.914 19012 429 1 . 1 1 93 93 GLY H H 93 8.706 8.706 7.929 0.776 19012 430 1 . 1 1 94 94 THR N N 94 117.255 117.255 115.570 1.685 19012 431 1 . 1 1 94 94 THR HA H 94 4.831 4.831 5.217 -0.386 19012 432 1 . 1 1 94 94 THR CA C 94 60.491 60.491 60.661 -0.170 19012 433 1 . 1 1 94 94 THR CB C 94 66.403 66.403 70.046 -3.643 19012 434 1 . 1 1 94 94 THR H H 94 8.637 8.637 8.051 0.586 19012 435 1 . 1 1 95 95 TYR N N 95 127.051 127.051 125.622 1.429 19012 436 1 . 1 1 95 95 TYR HA H 95 4.564 4.564 5.290 -0.726 19012 437 1 . 1 1 95 95 TYR CA C 95 53.889 53.889 56.542 -2.653 19012 438 1 . 1 1 95 95 TYR CB C 95 39.733 39.733 42.566 -2.833 19012 439 1 . 1 1 95 95 TYR H H 95 10.060 10.060 9.092 0.968 19012 440 1 . 1 1 96 96 LYS N N 96 119.487 119.487 121.309 -1.822 19012 441 1 . 1 1 96 96 LYS HA H 96 5.668 5.668 5.450 0.218 19012 442 1 . 1 1 96 96 LYS CA C 96 50.781 50.781 54.195 -3.414 19012 443 1 . 1 1 96 96 LYS CB C 96 31.840 31.840 35.058 -3.218 19012 444 1 . 1 1 96 96 LYS H H 96 8.960 8.960 9.147 -0.187 19012 445 1 . 1 1 97 97 LYS N N 97 128.866 128.866 123.593 5.273 19012 446 1 . 1 1 97 97 LYS HA H 97 3.701 3.701 3.637 0.064 19012 447 1 . 1 1 97 97 LYS CA C 97 55.022 55.022 57.186 -2.164 19012 448 1 . 1 1 97 97 LYS CB C 97 30.744 30.744 32.516 -1.772 19012 449 1 . 1 1 97 97 LYS H H 97 8.729 8.729 8.583 0.146 19012 450 1 . 1 1 98 98 GLN N N 98 127.056 127.056 123.568 3.488 19012 451 1 . 1 1 98 98 GLN HA H 98 4.244 4.244 4.485 -0.241 19012 452 1 . 1 1 98 98 GLN CA C 98 52.689 52.689 54.740 -2.051 19012 453 1 . 1 1 98 98 GLN CB C 98 28.065 28.065 30.138 -2.073 19012 454 1 . 1 1 98 98 GLN H H 98 8.992 8.992 8.357 0.635 19012 stop_ save_