data_18817 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18817 _Entry.PDB_ID 2M0Q 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 18817 _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 SER C C 2 172.027 172.027 175.773 -3.746 18817 2 1 1 . 1 1 2 2 SER CA C 2 56.474 56.474 57.023 -0.549 18817 3 1 1 . 1 1 2 2 SER CB C 2 63.484 63.484 63.614 -0.130 18817 4 1 1 . 1 1 3 3 THR N N 3 119.004 119.004 118.046 0.958 18817 5 1 1 . 1 1 3 3 THR C C 3 175.867 175.867 175.564 0.303 18817 6 1 1 . 1 1 3 3 THR CA C 3 65.068 65.068 64.704 0.364 18817 7 1 1 . 1 1 3 3 THR CB C 3 68.441 68.441 69.151 -0.710 18817 8 1 1 . 1 1 3 3 THR H H 3 8.964 8.964 8.726 0.238 18817 9 1 1 . 1 1 4 4 LEU N N 4 121.518 121.518 121.381 0.137 18817 10 1 1 . 1 1 4 4 LEU C C 4 178.886 178.886 178.816 0.070 18817 11 1 1 . 1 1 4 4 LEU CA C 4 57.246 57.246 58.151 -0.905 18817 12 1 1 . 1 1 4 4 LEU CB C 4 40.645 40.645 41.364 -0.719 18817 13 1 1 . 1 1 4 4 LEU H H 4 8.487 8.487 7.804 0.683 18817 14 1 1 . 1 1 5 5 SER N N 5 117.162 117.162 114.620 2.542 18817 15 1 1 . 1 1 5 5 SER C C 5 176.676 176.676 177.092 -0.416 18817 16 1 1 . 1 1 5 5 SER CA C 5 60.827 60.827 61.016 -0.189 18817 17 1 1 . 1 1 5 5 SER CB C 5 61.776 61.776 63.454 -1.678 18817 18 1 1 . 1 1 5 5 SER H H 5 8.289 8.289 8.316 -0.027 18817 19 1 1 . 1 1 6 6 ASN N N 6 122.387 122.387 122.145 0.242 18817 20 1 1 . 1 1 6 6 ASN HA H 6 4.230 4.230 4.523 -0.293 18817 21 1 1 . 1 1 6 6 ASN C C 6 177.833 177.833 177.541 0.292 18817 22 1 1 . 1 1 6 6 ASN CA C 6 55.400 55.400 55.807 -0.407 18817 23 1 1 . 1 1 6 6 ASN CB C 6 37.348 37.348 38.489 -1.141 18817 24 1 1 . 1 1 6 6 ASN H H 6 8.160 8.160 7.583 0.577 18817 25 1 1 . 1 1 7 7 PHE N N 7 121.724 121.724 121.435 0.289 18817 26 1 1 . 1 1 7 7 PHE C C 7 177.171 177.171 176.173 0.998 18817 27 1 1 . 1 1 7 7 PHE CA C 7 60.731 60.731 60.181 0.550 18817 28 1 1 . 1 1 7 7 PHE CB C 7 38.693 38.693 39.620 -0.927 18817 29 1 1 . 1 1 7 7 PHE H H 7 8.254 8.254 8.786 -0.532 18817 30 1 1 . 1 1 8 8 THR N N 8 113.736 113.736 115.377 -1.641 18817 31 1 1 . 1 1 8 8 THR HA H 8 4.278 4.278 3.621 0.657 18817 32 1 1 . 1 1 8 8 THR C C 8 176.016 176.016 176.694 -0.678 18817 33 1 1 . 1 1 8 8 THR CA C 8 66.400 66.400 66.256 0.144 18817 34 1 1 . 1 1 8 8 THR CB C 8 67.084 67.084 68.219 -1.135 18817 35 1 1 . 1 1 8 8 THR H H 8 8.399 8.399 8.100 0.299 18817 36 1 1 . 1 1 9 9 GLN N N 9 121.349 121.349 119.501 1.848 18817 37 1 1 . 1 1 9 9 GLN C C 9 178.464 178.464 178.317 0.147 18817 38 1 1 . 1 1 9 9 GLN CA C 9 58.448 58.448 58.712 -0.265 18817 39 1 1 . 1 1 9 9 GLN CB C 9 27.564 27.564 28.326 -0.762 18817 40 1 1 . 1 1 9 9 GLN H H 9 7.942 7.942 7.848 0.094 18817 41 1 1 . 1 1 10 10 THR N N 10 117.451 117.451 116.573 0.878 18817 42 1 1 . 1 1 10 10 THR HA H 10 4.278 4.278 4.041 0.237 18817 43 1 1 . 1 1 10 10 THR C C 10 176.380 176.380 175.953 0.427 18817 44 1 1 . 1 1 10 10 THR CA C 10 66.353 66.353 65.910 0.442 18817 45 1 1 . 1 1 10 10 THR CB C 10 67.910 67.910 68.593 -0.683 18817 46 1 1 . 1 1 10 10 THR H H 10 7.767 7.767 7.447 0.320 18817 47 1 1 . 1 1 11 11 LEU N N 11 121.448 121.448 122.691 -1.243 18817 48 1 1 . 1 1 11 11 LEU C C 11 178.255 178.255 177.509 0.746 18817 49 1 1 . 1 1 11 11 LEU CA C 11 57.614 57.614 58.363 -0.749 18817 50 1 1 . 1 1 11 11 LEU CB C 11 40.574 40.574 41.592 -1.018 18817 51 1 1 . 1 1 11 11 LEU H H 11 7.958 7.958 7.794 0.164 18817 52 1 1 . 1 1 12 12 GLU N N 12 117.911 117.911 118.547 -0.636 18817 53 1 1 . 1 1 12 12 GLU C C 12 177.809 177.809 178.630 -0.821 18817 54 1 1 . 1 1 12 12 GLU CA C 12 59.675 59.675 60.028 -0.353 18817 55 1 1 . 1 1 12 12 GLU CB C 12 27.358 27.358 29.117 -1.759 18817 56 1 1 . 1 1 12 12 GLU H H 12 8.206 8.206 8.002 0.204 18817 57 1 1 . 1 1 13 13 ASP C C 13 178.880 178.880 178.795 0.085 18817 58 1 1 . 1 1 13 13 ASP CA C 13 58.468 58.468 57.673 0.795 18817 59 1 1 . 1 1 13 13 ASP CB C 13 40.613 40.613 40.618 -0.005 18817 60 1 1 . 1 1 14 14 VAL N N 14 118.703 118.703 120.516 -1.813 18817 61 1 1 . 1 1 14 14 VAL C C 14 177.885 177.885 178.081 -0.196 18817 62 1 1 . 1 1 14 14 VAL CA C 14 66.212 66.212 66.546 -0.334 18817 63 1 1 . 1 1 14 14 VAL CB C 14 30.614 30.614 31.656 -1.042 18817 64 1 1 . 1 1 14 14 VAL H H 14 8.943 8.943 7.658 1.285 18817 65 1 1 . 1 1 15 15 PHE N N 15 118.897 118.897 120.000 -1.103 18817 66 1 1 . 1 1 15 15 PHE C C 15 177.542 177.542 178.221 -0.679 18817 67 1 1 . 1 1 15 15 PHE CA C 15 61.165 61.165 61.844 -0.679 18817 68 1 1 . 1 1 15 15 PHE CB C 15 37.723 37.723 38.145 -0.422 18817 69 1 1 . 1 1 15 15 PHE H H 15 8.379 8.379 9.195 -0.816 18817 70 1 1 . 1 1 16 16 ARG N N 16 119.285 119.285 119.608 -0.323 18817 71 1 1 . 1 1 16 16 ARG C C 16 177.852 177.852 178.463 -0.611 18817 72 1 1 . 1 1 16 16 ARG CA C 16 59.972 59.972 60.281 -0.309 18817 73 1 1 . 1 1 16 16 ARG CB C 16 29.491 29.491 30.081 -0.590 18817 74 1 1 . 1 1 16 16 ARG H H 16 8.455 8.455 8.134 0.321 18817 75 1 1 . 1 1 17 17 ARG N N 17 117.721 117.721 119.692 -1.971 18817 76 1 1 . 1 1 17 17 ARG C C 17 179.606 179.606 178.990 0.616 18817 77 1 1 . 1 1 17 17 ARG CA C 17 58.965 58.965 59.405 -0.440 18817 78 1 1 . 1 1 17 17 ARG CB C 17 29.220 29.220 30.129 -0.909 18817 79 1 1 . 1 1 17 17 ARG H H 17 7.816 7.816 7.544 0.272 18817 80 1 1 . 1 1 18 18 ILE N N 18 121.097 121.097 120.768 0.329 18817 81 1 1 . 1 1 18 18 ILE C C 18 177.115 177.115 177.613 -0.498 18817 82 1 1 . 1 1 18 18 ILE CA C 18 64.570 64.570 64.704 -0.134 18817 83 1 1 . 1 1 18 18 ILE CB C 18 37.150 37.150 38.091 -0.941 18817 84 1 1 . 1 1 18 18 ILE H H 18 8.180 8.180 8.657 -0.477 18817 85 1 1 . 1 1 19 19 PHE N N 19 120.545 120.545 121.373 -0.828 18817 86 1 1 . 1 1 19 19 PHE C C 19 177.154 177.154 177.261 -0.107 18817 87 1 1 . 1 1 19 19 PHE CA C 19 61.665 61.665 62.609 -0.944 18817 88 1 1 . 1 1 19 19 PHE CB C 19 38.609 38.609 39.395 -0.786 18817 89 1 1 . 1 1 19 19 PHE H H 19 8.407 8.407 8.499 -0.092 18817 90 1 1 . 1 1 20 20 ILE N N 20 118.206 118.206 119.054 -0.848 18817 91 1 1 . 1 1 20 20 ILE C C 20 177.915 177.915 178.196 -0.281 18817 92 1 1 . 1 1 20 20 ILE CA C 20 63.965 63.965 65.472 -1.507 18817 93 1 1 . 1 1 20 20 ILE CB C 20 36.828 36.828 37.947 -1.119 18817 94 1 1 . 1 1 20 20 ILE H H 20 8.350 8.350 8.560 -0.210 18817 95 1 1 . 1 1 21 21 THR N N 21 116.423 116.423 116.559 -0.136 18817 96 1 1 . 1 1 21 21 THR C C 21 176.419 176.419 176.081 0.338 18817 97 1 1 . 1 1 21 21 THR CA C 21 66.069 66.069 66.935 -0.866 18817 98 1 1 . 1 1 21 21 THR CB C 21 68.168 68.168 68.919 -0.751 18817 99 1 1 . 1 1 21 21 THR H H 21 7.692 7.692 8.216 -0.524 18817 100 1 1 . 1 1 22 22 TYR N N 22 121.108 121.108 123.570 -2.462 18817 101 1 1 . 1 1 22 22 TYR C C 22 177.398 177.398 176.820 0.578 18817 102 1 1 . 1 1 22 22 TYR CA C 22 60.953 60.953 61.748 -0.795 18817 103 1 1 . 1 1 22 22 TYR CB C 22 37.643 37.643 38.212 -0.569 18817 104 1 1 . 1 1 22 22 TYR H H 22 8.028 8.028 8.619 -0.591 18817 105 1 1 . 1 1 23 23 MET N N 23 118.337 118.337 116.028 2.309 18817 106 1 1 . 1 1 23 23 MET C C 23 178.156 178.156 178.569 -0.413 18817 107 1 1 . 1 1 23 23 MET CA C 23 57.078 57.078 57.372 -0.294 18817 108 1 1 . 1 1 23 23 MET CB C 23 30.583 30.583 31.257 -0.674 18817 109 1 1 . 1 1 23 23 MET H H 23 8.135 8.135 8.474 -0.339 18817 110 1 1 . 1 1 24 24 ASP N N 24 118.883 118.883 121.363 -2.480 18817 111 1 1 . 1 1 24 24 ASP C C 24 177.682 177.682 178.936 -1.254 18817 112 1 1 . 1 1 24 24 ASP CA C 24 56.222 56.222 56.861 -0.639 18817 113 1 1 . 1 1 24 24 ASP CB C 24 39.820 39.820 41.125 -1.305 18817 114 1 1 . 1 1 24 24 ASP H H 24 8.208 8.208 7.770 0.438 18817 115 1 1 . 1 1 25 25 ASN N N 25 116.989 116.989 119.836 -2.847 18817 116 1 1 . 1 1 25 25 ASN C C 25 176.452 176.452 177.446 -0.994 18817 117 1 1 . 1 1 25 25 ASN CA C 25 54.859 54.859 55.726 -0.867 18817 118 1 1 . 1 1 25 25 ASN CB C 25 38.679 38.679 38.515 0.164 18817 119 1 1 . 1 1 25 25 ASN H H 25 7.746 7.746 8.353 -0.607 18817 120 1 1 . 1 1 26 26 TRP N N 26 120.811 120.811 120.665 0.146 18817 121 1 1 . 1 1 26 26 TRP C C 26 177.694 177.694 177.858 -0.164 18817 122 1 1 . 1 1 26 26 TRP CA C 26 58.922 58.922 61.638 -2.716 18817 123 1 1 . 1 1 26 26 TRP CB C 26 28.772 28.772 29.267 -0.495 18817 124 1 1 . 1 1 26 26 TRP H H 26 7.951 7.951 7.771 0.180 18817 125 1 1 . 1 1 27 27 ARG N N 27 119.926 119.926 117.044 2.882 18817 126 1 1 . 1 1 27 27 ARG C C 27 177.355 177.355 178.740 -1.385 18817 127 1 1 . 1 1 27 27 ARG CA C 27 57.844 57.844 59.339 -1.495 18817 128 1 1 . 1 1 27 27 ARG CB C 27 29.249 29.249 29.803 -0.554 18817 129 1 1 . 1 1 27 27 ARG H H 27 7.971 7.971 7.653 0.318 18817 130 1 1 . 1 1 28 28 GLN N N 28 118.022 118.022 118.658 -0.636 18817 131 1 1 . 1 1 28 28 GLN C C 28 176.547 176.547 177.970 -1.423 18817 132 1 1 . 1 1 28 28 GLN CA C 28 56.751 56.751 58.295 -1.544 18817 133 1 1 . 1 1 28 28 GLN CB C 28 28.167 28.167 28.595 -0.428 18817 134 1 1 . 1 1 28 28 GLN H H 28 7.868 7.868 7.764 0.104 18817 135 1 1 . 1 1 29 29 ASN N N 29 118.257 118.257 116.694 1.563 18817 136 1 1 . 1 1 29 29 ASN C C 29 175.576 175.576 177.100 -1.524 18817 137 1 1 . 1 1 29 29 ASN CA C 29 53.311 53.311 54.943 -1.632 18817 138 1 1 . 1 1 29 29 ASN CB C 29 38.530 38.530 38.432 0.098 18817 139 1 1 . 1 1 29 29 ASN H H 29 7.915 7.915 7.561 0.354 18817 140 1 1 . 1 1 30 30 THR N N 30 113.464 113.464 115.777 -2.313 18817 141 1 1 . 1 1 30 30 THR HA H 30 4.348 4.348 4.096 0.252 18817 142 1 1 . 1 1 30 30 THR C C 30 175.453 175.453 176.128 -0.675 18817 143 1 1 . 1 1 30 30 THR CA C 30 62.528 62.528 66.190 -3.662 18817 144 1 1 . 1 1 30 30 THR CB C 30 69.103 69.103 68.509 0.594 18817 145 1 1 . 1 1 30 30 THR H H 30 7.840 7.840 8.095 -0.255 18817 146 1 1 . 1 1 31 31 THR N N 31 116.868 116.868 115.014 1.854 18817 147 1 1 . 1 1 31 31 THR C C 31 175.450 175.450 176.026 -0.576 18817 148 1 1 . 1 1 31 31 THR CA C 31 63.705 63.705 66.618 -2.913 18817 149 1 1 . 1 1 31 31 THR CB C 31 69.132 69.132 68.295 0.837 18817 150 1 1 . 1 1 31 31 THR H H 31 7.955 7.955 7.550 0.405 18817 151 1 1 . 1 1 32 32 ALA N N 32 124.803 124.803 123.796 1.007 18817 152 1 1 . 1 1 32 32 ALA C C 32 179.686 179.686 180.025 -0.339 18817 153 1 1 . 1 1 32 32 ALA CA C 32 53.748 53.748 55.244 -1.496 18817 154 1 1 . 1 1 32 32 ALA CB C 32 17.669 17.669 17.770 -0.101 18817 155 1 1 . 1 1 32 32 ALA H H 32 8.226 8.226 7.878 0.348 18817 156 1 1 . 1 1 33 33 GLU N N 33 118.847 118.847 117.438 1.409 18817 157 1 1 . 1 1 33 33 GLU C C 33 177.525 177.525 179.147 -1.622 18817 158 1 1 . 1 1 33 33 GLU CA C 33 58.026 58.026 59.517 -1.491 18817 159 1 1 . 1 1 33 33 GLU CB C 33 27.793 27.793 29.489 -1.696 18817 160 1 1 . 1 1 33 33 GLU H H 33 8.153 8.153 7.828 0.325 18817 161 1 1 . 1 1 34 34 GLN N N 34 119.840 119.840 119.666 0.174 18817 162 1 1 . 1 1 34 34 GLN C C 34 177.628 177.628 178.038 -0.410 18817 163 1 1 . 1 1 34 34 GLN CA C 34 57.976 57.976 58.993 -1.017 18817 164 1 1 . 1 1 34 34 GLN CB C 34 27.786 27.786 28.647 -0.861 18817 165 1 1 . 1 1 34 34 GLN H H 34 8.109 8.109 7.403 0.706 18817 166 1 1 . 1 1 35 35 GLU N N 35 119.894 119.894 120.231 -0.337 18817 167 1 1 . 1 1 35 35 GLU C C 35 178.149 178.149 178.647 -0.498 18817 168 1 1 . 1 1 35 35 GLU CA C 35 58.160 58.160 59.633 -1.472 18817 169 1 1 . 1 1 35 35 GLU CB C 35 28.337 28.337 29.589 -1.252 18817 170 1 1 . 1 1 35 35 GLU H H 35 8.170 8.170 8.725 -0.555 18817 171 1 1 . 1 1 36 36 ALA N N 36 123.045 123.045 121.458 1.587 18817 172 1 1 . 1 1 36 36 ALA C C 36 179.303 179.303 179.538 -0.235 18817 173 1 1 . 1 1 36 36 ALA CA C 36 53.615 53.615 54.577 -0.962 18817 174 1 1 . 1 1 36 36 ALA CB C 36 17.788 17.788 18.562 -0.774 18817 175 1 1 . 1 1 36 36 ALA H H 36 7.884 7.884 7.489 0.395 18817 176 1 1 . 1 1 37 37 LEU N N 37 119.469 119.469 119.012 0.457 18817 177 1 1 . 1 1 37 37 LEU C C 37 178.226 178.226 179.343 -1.117 18817 178 1 1 . 1 1 37 37 LEU CA C 37 56.671 56.671 57.543 -0.872 18817 179 1 1 . 1 1 37 37 LEU CB C 37 40.965 40.965 41.995 -1.030 18817 180 1 1 . 1 1 37 37 LEU H H 37 7.907 7.907 7.514 0.393 18817 181 1 1 . 1 1 38 38 GLN N N 38 118.655 118.655 119.784 -1.129 18817 182 1 1 . 1 1 38 38 GLN C C 38 176.775 176.775 176.963 -0.188 18817 183 1 1 . 1 1 38 38 GLN CA C 38 57.420 57.420 58.706 -1.286 18817 184 1 1 . 1 1 38 38 GLN CB C 38 28.042 28.042 28.313 -0.271 18817 185 1 1 . 1 1 38 38 GLN H H 38 8.097 8.097 8.811 -0.714 18817 186 1 1 . 1 1 39 39 ALA N N 39 121.284 121.284 120.976 0.308 18817 187 1 1 . 1 1 39 39 ALA C C 39 178.516 178.516 178.713 -0.197 18817 188 1 1 . 1 1 39 39 ALA CA C 39 53.221 53.221 53.870 -0.649 18817 189 1 1 . 1 1 39 39 ALA CB C 39 18.032 18.032 18.951 -0.919 18817 190 1 1 . 1 1 39 39 ALA H H 39 7.724 7.724 7.785 -0.061 18817 191 1 1 . 1 1 40 40 LYS N N 40 118.343 118.343 116.540 1.803 18817 192 1 1 . 1 1 40 40 LYS C C 40 176.835 176.835 177.400 -0.565 18817 193 1 1 . 1 1 40 40 LYS CA C 40 56.436 56.436 56.017 0.419 18817 194 1 1 . 1 1 40 40 LYS CB C 40 32.005 32.005 33.419 -1.414 18817 195 1 1 . 1 1 40 40 LYS H H 40 7.702 7.702 8.052 -0.350 18817 196 1 1 . 1 1 41 41 VAL N N 41 118.825 118.825 119.181 -0.356 18817 197 1 1 . 1 1 41 41 VAL C C 41 175.383 175.383 174.849 0.534 18817 198 1 1 . 1 1 41 41 VAL CA C 41 62.305 62.305 64.831 -2.526 18817 199 1 1 . 1 1 41 41 VAL CB C 41 31.695 31.695 32.042 -0.347 18817 200 1 1 . 1 1 41 41 VAL H H 41 7.723 7.723 7.571 0.152 18817 201 1 1 . 1 1 42 42 ASP N N 42 122.980 122.980 119.924 3.056 18817 202 1 1 . 1 1 42 42 ASP HA H 42 4.323 4.323 4.723 -0.400 18817 203 1 1 . 1 1 42 42 ASP C C 42 176.128 176.128 175.367 0.761 18817 204 1 1 . 1 1 42 42 ASP CA C 42 53.641 53.641 53.430 0.211 18817 205 1 1 . 1 1 42 42 ASP CB C 42 40.281 40.281 42.045 -1.764 18817 206 1 1 . 1 1 42 42 ASP H H 42 8.229 8.229 8.303 -0.074 18817 207 1 1 . 1 1 43 43 ALA N N 43 123.146 123.146 127.610 -4.464 18817 208 1 1 . 1 1 43 43 ALA C C 43 178.308 178.308 178.625 -0.317 18817 209 1 1 . 1 1 43 43 ALA CA C 43 53.366 53.366 53.930 -0.564 18817 210 1 1 . 1 1 43 43 ALA CB C 43 18.215 18.215 19.258 -1.043 18817 211 1 1 . 1 1 43 43 ALA H H 43 8.095 8.095 8.521 -0.426 18817 212 1 1 . 1 1 44 44 GLU N N 44 117.625 117.625 118.737 -1.112 18817 213 1 1 . 1 1 44 44 GLU C C 44 176.974 176.974 177.094 -0.120 18817 214 1 1 . 1 1 44 44 GLU CA C 44 57.011 57.011 57.828 -0.817 18817 215 1 1 . 1 1 44 44 GLU CB C 44 28.434 28.434 29.733 -1.299 18817 216 1 1 . 1 1 44 44 GLU H H 44 8.173 8.173 8.626 -0.453 18817 217 1 1 . 1 1 45 45 ASN N N 45 117.214 117.214 113.036 4.178 18817 218 1 1 . 1 1 45 45 ASN C C 45 176.652 176.652 176.357 0.295 18817 219 1 1 . 1 1 45 45 ASN CA C 45 53.544 53.544 56.143 -2.599 18817 220 1 1 . 1 1 45 45 ASN CB C 45 38.334 38.334 36.145 2.189 18817 221 1 1 . 1 1 45 45 ASN H H 45 8.059 8.059 9.417 -1.358 18817 222 1 1 . 1 1 46 46 PHE N N 46 120.987 120.987 119.527 1.460 18817 223 1 1 . 1 1 46 46 PHE C C 46 176.975 176.975 177.920 -0.945 18817 224 1 1 . 1 1 46 46 PHE CA C 46 60.113 60.113 61.997 -1.884 18817 225 1 1 . 1 1 46 46 PHE CB C 46 38.290 38.290 38.994 -0.704 18817 226 1 1 . 1 1 46 46 PHE H H 46 8.163 8.163 8.685 -0.522 18817 227 1 1 . 1 1 47 47 TYR N N 47 116.519 116.519 117.965 -1.446 18817 228 1 1 . 1 1 47 47 TYR C C 47 176.063 176.063 177.593 -1.530 18817 229 1 1 . 1 1 47 47 TYR CA C 47 60.569 60.569 60.680 -0.111 18817 230 1 1 . 1 1 47 47 TYR CB C 47 36.886 36.886 37.645 -0.758 18817 231 1 1 . 1 1 47 47 TYR H H 47 7.417 7.417 8.418 -1.001 18817 232 1 1 . 1 1 48 48 TYR N N 48 116.519 116.519 121.067 -4.548 18817 233 1 1 . 1 1 48 48 TYR C C 48 177.063 177.063 177.247 -0.184 18817 234 1 1 . 1 1 48 48 TYR CA C 48 60.569 60.569 61.799 -1.230 18817 235 1 1 . 1 1 48 48 TYR CB C 48 36.886 36.886 38.098 -1.212 18817 236 1 1 . 1 1 48 48 TYR H H 48 7.417 7.417 7.769 -0.352 18817 237 1 1 . 1 1 49 49 VAL N N 49 118.292 118.292 116.854 1.438 18817 238 1 1 . 1 1 49 49 VAL C C 49 177.154 177.154 177.530 -0.376 18817 239 1 1 . 1 1 49 49 VAL CA C 49 66.194 66.194 65.601 0.593 18817 240 1 1 . 1 1 49 49 VAL CB C 49 30.389 30.389 31.552 -1.163 18817 241 1 1 . 1 1 49 49 VAL H H 49 7.439 7.439 7.510 -0.071 18817 242 1 1 . 1 1 50 50 ILE N N 50 117.581 117.581 120.920 -3.339 18817 243 1 1 . 1 1 50 50 ILE C C 50 177.307 177.307 177.898 -0.591 18817 244 1 1 . 1 1 50 50 ILE CA C 50 63.876 63.876 65.189 -1.313 18817 245 1 1 . 1 1 50 50 ILE CB C 50 35.725 35.725 37.820 -2.095 18817 246 1 1 . 1 1 50 50 ILE H H 50 7.491 7.491 7.381 0.110 18817 247 1 1 . 1 1 51 51 LEU N N 51 120.363 120.363 120.367 -0.004 18817 248 1 1 . 1 1 51 51 LEU C C 51 178.335 178.335 178.018 0.317 18817 249 1 1 . 1 1 51 51 LEU CA C 51 58.042 58.042 58.196 -0.154 18817 250 1 1 . 1 1 51 51 LEU CB C 51 40.550 40.550 41.887 -1.337 18817 251 1 1 . 1 1 51 51 LEU H H 51 7.699 7.699 8.486 -0.787 18817 252 1 1 . 1 1 53 53 LEU C C 53 178.638 178.638 178.403 0.235 18817 253 1 1 . 1 1 53 53 LEU CA C 53 57.795 57.795 57.582 0.213 18817 254 1 1 . 1 1 53 53 LEU CB C 53 40.796 40.796 41.919 -1.123 18817 255 1 1 . 1 1 54 54 MET N N 54 117.957 117.957 119.082 -1.125 18817 256 1 1 . 1 1 54 54 MET C C 54 178.471 178.471 178.192 0.279 18817 257 1 1 . 1 1 54 54 MET CA C 54 58.432 58.432 59.048 -0.616 18817 258 1 1 . 1 1 54 54 MET CB C 54 31.395 31.395 32.611 -1.216 18817 259 1 1 . 1 1 54 54 MET H H 54 8.396 8.396 7.568 0.828 18817 260 1 1 . 1 1 56 56 MET C C 56 177.895 177.895 177.981 -0.086 18817 261 1 1 . 1 1 56 56 MET CA C 56 58.793 58.793 59.005 -0.212 18817 262 1 1 . 1 1 57 57 ILE N N 57 119.111 119.111 118.509 0.602 18817 263 1 1 . 1 1 57 57 ILE C C 57 179.504 179.504 177.626 1.878 18817 264 1 1 . 1 1 57 57 ILE CA C 57 64.890 64.890 63.389 1.501 18817 265 1 1 . 1 1 57 57 ILE CB C 57 36.497 36.497 37.927 -1.430 18817 266 1 1 . 1 1 57 57 ILE H H 57 8.556 8.556 7.758 0.798 18817 267 1 1 . 1 1 58 58 GLY N N 58 111.097 111.097 107.779 3.318 18817 268 1 1 . 1 1 58 58 GLY C C 58 174.211 174.211 176.444 -2.233 18817 269 1 1 . 1 1 58 58 GLY CA C 58 47.038 47.038 47.627 -0.589 18817 270 1 1 . 1 1 58 58 GLY H H 58 8.745 8.745 7.947 0.798 18817 271 1 1 . 1 1 59 59 MET N N 59 120.903 120.903 120.730 0.173 18817 272 1 1 . 1 1 59 59 MET C C 59 178.075 178.075 178.271 -0.196 18817 273 1 1 . 1 1 59 59 MET CA C 59 58.763 58.763 58.370 0.393 18817 274 1 1 . 1 1 59 59 MET CB C 59 32.415 32.415 32.221 0.194 18817 275 1 1 . 1 1 59 59 MET H H 59 8.612 8.612 7.627 0.985 18817 276 1 1 . 1 1 60 60 PHE N N 60 117.888 117.888 120.822 -2.934 18817 277 1 1 . 1 1 60 60 PHE C C 60 177.292 177.292 177.658 -0.366 18817 278 1 1 . 1 1 60 60 PHE CA C 60 60.486 60.486 62.112 -1.626 18817 279 1 1 . 1 1 60 60 PHE CB C 60 38.213 38.213 39.011 -0.798 18817 280 1 1 . 1 1 60 60 PHE H H 60 8.495 8.495 7.905 0.590 18817 281 1 1 . 1 1 61 61 SER N N 61 115.530 115.530 115.783 -0.253 18817 282 1 1 . 1 1 61 61 SER C C 61 175.141 175.141 176.655 -1.514 18817 283 1 1 . 1 1 61 61 SER CA C 61 63.198 63.198 61.629 1.569 18817 284 1 1 . 1 1 61 61 SER CB C 61 62.050 62.050 62.508 -0.458 18817 285 1 1 . 1 1 61 61 SER H H 61 8.338 8.338 8.985 -0.647 18817 286 1 1 . 1 1 62 62 PHE N N 62 121.237 121.237 122.689 -1.452 18817 287 1 1 . 1 1 62 62 PHE C C 62 176.761 176.761 177.646 -0.885 18817 288 1 1 . 1 1 62 62 PHE CA C 62 60.791 60.791 62.465 -1.674 18817 289 1 1 . 1 1 62 62 PHE CB C 62 38.124 38.124 39.039 -0.915 18817 290 1 1 . 1 1 62 62 PHE H H 62 8.077 8.077 7.927 0.150 18817 291 1 1 . 1 1 64 64 ILE N N 64 118.608 118.608 119.785 -1.177 18817 292 1 1 . 1 1 64 64 ILE C C 64 177.805 177.805 178.292 -0.487 18817 293 1 1 . 1 1 64 64 ILE CA C 64 64.465 64.465 65.609 -1.144 18817 294 1 1 . 1 1 64 64 ILE CB C 64 35.984 35.984 37.702 -1.718 18817 295 1 1 . 1 1 64 64 ILE H H 64 7.956 7.956 7.497 0.459 18817 296 1 1 . 1 1 65 65 VAL N N 65 119.395 119.395 119.571 -0.176 18817 297 1 1 . 1 1 65 65 VAL C C 65 177.045 177.045 177.806 -0.761 18817 298 1 1 . 1 1 65 65 VAL CA C 65 66.773 66.773 66.067 0.706 18817 299 1 1 . 1 1 65 65 VAL CB C 65 30.099 30.099 30.735 -0.636 18817 300 1 1 . 1 1 65 65 VAL H H 65 8.137 8.137 8.125 0.012 18817 301 1 1 . 1 1 67 67 ILE C C 67 179.153 179.153 177.652 1.501 18817 302 1 1 . 1 1 67 67 ILE CA C 67 64.933 64.933 64.175 0.758 18817 303 1 1 . 1 1 67 67 ILE CB C 67 36.977 36.977 37.538 -0.561 18817 304 1 1 . 1 1 68 68 LEU N N 68 123.998 123.998 122.385 1.613 18817 305 1 1 . 1 1 68 68 LEU HA H 68 4.301 4.301 4.105 0.196 18817 306 1 1 . 1 1 68 68 LEU CA C 68 58.529 58.529 58.909 -0.380 18817 307 1 1 . 1 1 68 68 LEU CB C 68 40.768 40.768 42.046 -1.278 18817 308 1 1 . 1 1 68 68 LEU H H 68 8.540 8.540 7.912 0.627 18817 309 1 1 . 1 1 69 69 VAL N N 69 120.584 120.584 115.369 5.215 18817 310 1 1 . 1 1 69 69 VAL C C 69 177.859 177.859 177.958 -0.099 18817 311 1 1 . 1 1 69 69 VAL CA C 69 65.949 65.949 66.720 -0.771 18817 312 1 1 . 1 1 69 69 VAL CB C 69 30.847 30.847 31.152 -0.305 18817 313 1 1 . 1 1 69 69 VAL H H 69 8.173 8.173 8.125 0.048 18817 314 1 1 . 1 1 70 70 SER N N 70 114.121 114.121 116.231 -2.110 18817 315 1 1 . 1 1 70 70 SER CA C 70 61.630 61.630 61.971 -0.341 18817 316 1 1 . 1 1 70 70 SER CB C 70 62.527 62.527 62.749 -0.222 18817 317 1 1 . 1 1 70 70 SER H H 70 7.898 7.898 7.961 -0.063 18817 318 1 1 . 1 1 71 71 THR HA H 71 4.300 4.300 4.156 0.144 18817 319 1 1 . 1 1 71 71 THR C C 71 176.381 176.381 176.762 -0.381 18817 320 1 1 . 1 1 71 71 THR CA C 71 65.981 65.981 65.334 0.647 18817 321 1 1 . 1 1 71 71 THR CB C 71 68.416 68.416 68.666 -0.250 18817 322 1 1 . 1 1 72 72 VAL N N 72 121.958 121.958 122.554 -0.596 18817 323 1 1 . 1 1 72 72 VAL C C 72 177.791 177.791 178.077 -0.286 18817 324 1 1 . 1 1 72 72 VAL CA C 72 65.532 65.532 65.916 -0.384 18817 325 1 1 . 1 1 72 72 VAL CB C 72 30.882 30.882 31.615 -0.733 18817 326 1 1 . 1 1 72 72 VAL H H 72 8.092 8.092 7.750 0.342 18817 327 1 1 . 1 1 73 73 LYS C C 73 178.310 178.310 179.079 -0.769 18817 328 1 1 . 1 1 73 73 LYS CA C 73 58.279 58.279 59.291 -1.012 18817 329 1 1 . 1 1 73 73 LYS CB C 73 31.350 31.350 32.231 -0.881 18817 330 1 1 . 1 1 74 74 SER N N 74 114.589 114.589 115.223 -0.634 18817 331 1 1 . 1 1 74 74 SER C C 74 175.895 175.895 175.980 -0.085 18817 332 1 1 . 1 1 74 74 SER CA C 74 59.979 59.979 61.403 -1.423 18817 333 1 1 . 1 1 74 74 SER CB C 74 62.823 62.823 62.712 0.111 18817 334 1 1 . 1 1 74 74 SER H H 74 7.816 7.816 7.975 -0.159 18817 335 1 1 . 1 1 75 75 LYS N N 75 121.984 121.984 119.547 2.437 18817 336 1 1 . 1 1 75 75 LYS C C 75 177.649 177.649 177.795 -0.146 18817 337 1 1 . 1 1 75 75 LYS CA C 75 56.892 56.892 57.736 -0.844 18817 338 1 1 . 1 1 75 75 LYS CB C 75 31.263 31.263 32.569 -1.306 18817 339 1 1 . 1 1 75 75 LYS H H 75 7.964 7.964 7.445 0.519 18817 340 1 1 . 1 1 76 76 ARG N N 76 119.656 119.656 119.255 0.401 18817 341 1 1 . 1 1 76 76 ARG C C 76 177.010 177.010 176.166 0.844 18817 342 1 1 . 1 1 76 76 ARG CA C 76 56.671 56.671 56.938 -0.267 18817 343 1 1 . 1 1 76 76 ARG CB C 76 29.471 29.471 30.866 -1.395 18817 344 1 1 . 1 1 76 76 ARG H H 76 7.909 7.909 8.008 -0.099 18817 345 1 1 . 1 1 77 77 ARG N N 77 120.815 120.815 119.201 1.614 18817 346 1 1 . 1 1 77 77 ARG C C 77 176.633 176.633 175.095 1.538 18817 347 1 1 . 1 1 77 77 ARG CA C 77 56.355 56.355 56.617 -0.262 18817 348 1 1 . 1 1 77 77 ARG CB C 77 29.718 29.718 28.048 1.670 18817 349 1 1 . 1 1 77 77 ARG H H 77 7.860 7.860 7.907 -0.047 18817 350 1 1 . 1 1 78 78 GLU N N 78 120.635 120.635 120.382 0.253 18817 351 1 1 . 1 1 78 78 GLU C C 78 176.320 176.320 176.616 -0.296 18817 352 1 1 . 1 1 78 78 GLU CA C 78 56.368 56.368 56.181 0.187 18817 353 1 1 . 1 1 78 78 GLU CB C 78 29.083 29.083 31.260 -2.177 18817 354 1 1 . 1 1 78 78 GLU H H 78 8.119 8.119 8.163 -0.044 18817 355 1 1 . 1 1 79 79 HIS N N 79 117.659 117.659 120.902 -3.243 18817 356 1 1 . 1 1 79 79 HIS C C 79 174.583 174.583 174.174 0.409 18817 357 1 1 . 1 1 79 79 HIS CA C 79 54.918 54.918 56.288 -1.370 18817 358 1 1 . 1 1 79 79 HIS CB C 79 28.249 28.249 29.812 -1.563 18817 359 1 1 . 1 1 79 79 HIS H H 79 8.042 8.042 8.543 -0.501 18817 360 1 1 . 1 1 80 80 SER N N 80 116.920 116.920 117.791 -0.871 18817 361 1 1 . 1 1 80 80 SER C C 80 174.323 174.323 174.089 0.234 18817 362 1 1 . 1 1 80 80 SER CA C 80 58.377 58.377 57.601 0.776 18817 363 1 1 . 1 1 80 80 SER CB C 80 63.113 63.113 64.933 -1.820 18817 364 1 1 . 1 1 80 80 SER H H 80 8.151 8.151 8.258 -0.107 18817 365 1 1 . 1 1 81 81 ASN N N 81 120.963 120.963 119.288 1.675 18817 366 1 1 . 1 1 81 81 ASN C C 81 174.436 174.436 173.825 0.611 18817 367 1 1 . 1 1 81 81 ASN CA C 81 52.945 52.945 53.084 -0.139 18817 368 1 1 . 1 1 81 81 ASN CB C 81 38.324 38.324 40.252 -1.927 18817 369 1 1 . 1 1 81 81 ASN H H 81 8.411 8.411 8.440 -0.029 18817 370 1 1 . 1 1 83 83 PRO C C 83 176.072 176.072 175.562 0.510 18817 371 1 1 . 1 1 83 83 PRO CA C 83 62.420 62.420 62.810 -0.390 18817 372 1 1 . 1 1 83 83 PRO CB C 83 33.212 33.212 31.939 1.273 18817 373 1 1 . 1 1 84 84 TYR N N 84 124.146 124.146 120.316 3.830 18817 374 1 1 . 1 1 84 84 TYR C C 84 176.670 176.670 175.892 0.778 18817 375 1 1 . 1 1 84 84 TYR CA C 84 55.352 55.352 56.390 -1.038 18817 376 1 1 . 1 1 84 84 TYR CB C 84 40.958 40.958 39.536 1.422 18817 377 1 1 . 1 1 84 84 TYR H H 84 8.487 8.487 7.901 0.586 18817 378 1 1 . 1 1 86 86 GLN C C 86 177.884 177.884 176.904 0.980 18817 379 1 1 . 1 1 86 86 GLN CA C 86 59.593 59.593 57.895 1.698 18817 380 1 1 . 1 1 86 86 GLN CB C 86 27.335 27.335 28.349 -1.014 18817 381 1 1 . 1 1 87 87 TYR N N 87 119.339 119.339 117.643 1.696 18817 382 1 1 . 1 1 87 87 TYR C C 87 178.922 178.922 176.458 2.464 18817 383 1 1 . 1 1 87 87 TYR CA C 87 57.225 57.225 57.221 0.004 18817 384 1 1 . 1 1 87 87 TYR CB C 87 40.155 40.155 36.474 3.681 18817 385 1 1 . 1 1 87 87 TYR H H 87 7.981 7.981 7.448 0.533 18817 386 1 1 . 1 1 88 88 ILE C C 88 175.951 175.951 176.993 -1.042 18817 387 1 1 . 1 1 89 89 VAL N N 89 119.921 119.921 119.443 0.478 18817 388 1 1 . 1 1 89 89 VAL C C 89 177.806 177.806 177.207 0.599 18817 389 1 1 . 1 1 89 89 VAL CA C 89 63.289 63.289 65.975 -2.686 18817 390 1 1 . 1 1 89 89 VAL CB C 89 31.247 31.247 31.564 -0.317 18817 391 1 1 . 1 1 89 89 VAL H H 89 7.397 7.397 7.335 0.062 18817 392 1 1 . 1 1 90 90 GLU N N 90 119.266 119.266 120.425 -1.159 18817 393 1 1 . 1 1 90 90 GLU C C 90 178.316 178.316 178.840 -0.524 18817 394 1 1 . 1 1 90 90 GLU CA C 90 58.285 58.285 59.649 -1.364 18817 395 1 1 . 1 1 90 90 GLU CB C 90 31.270 31.270 29.483 1.787 18817 396 1 1 . 1 1 90 90 GLU H H 90 8.111 8.111 7.795 0.316 18817 397 1 1 . 1 1 91 91 ASP C C 91 177.542 177.542 178.677 -1.135 18817 398 1 1 . 1 1 91 91 ASP CA C 91 56.637 56.637 57.329 -0.692 18817 399 1 1 . 1 1 91 91 ASP CB C 91 38.852 38.852 40.822 -1.970 18817 400 1 1 . 1 1 92 92 TRP N N 92 120.874 120.874 121.018 -0.144 18817 401 1 1 . 1 1 92 92 TRP C C 92 177.384 177.384 178.274 -0.890 18817 402 1 1 . 1 1 92 92 TRP CA C 92 59.510 59.510 60.349 -0.839 18817 403 1 1 . 1 1 92 92 TRP CB C 92 27.817 27.817 29.019 -1.202 18817 404 1 1 . 1 1 92 92 TRP H H 92 7.852 7.852 7.631 0.221 18817 405 1 1 . 1 1 93 93 GLN N N 93 119.478 119.478 118.375 1.103 18817 406 1 1 . 1 1 93 93 GLN C C 93 177.653 177.653 178.036 -0.383 18817 407 1 1 . 1 1 93 93 GLN CA C 93 58.991 58.991 59.547 -0.556 18817 408 1 1 . 1 1 93 93 GLN CB C 93 27.205 27.205 28.342 -1.137 18817 409 1 1 . 1 1 93 93 GLN H H 93 8.010 8.010 7.954 0.056 18817 410 1 1 . 1 1 94 94 GLU N N 94 117.531 117.531 118.672 -1.141 18817 411 1 1 . 1 1 94 94 GLU C C 94 178.798 178.798 179.252 -0.454 18817 412 1 1 . 1 1 94 94 GLU CA C 94 57.794 57.794 58.876 -1.082 18817 413 1 1 . 1 1 94 94 GLU CB C 94 28.816 28.816 29.183 -0.367 18817 414 1 1 . 1 1 94 94 GLU H H 94 7.589 7.589 7.728 -0.139 18817 415 1 1 . 1 1 95 95 LYS N N 95 119.905 119.905 121.594 -1.689 18817 416 1 1 . 1 1 95 95 LYS C C 95 178.416 178.416 178.645 -0.229 18817 417 1 1 . 1 1 95 95 LYS CA C 95 58.576 58.576 58.237 0.339 18817 418 1 1 . 1 1 95 95 LYS CB C 95 32.120 32.120 32.381 -0.261 18817 419 1 1 . 1 1 95 95 LYS H H 95 7.832 7.832 7.460 0.372 18817 420 1 1 . 1 1 96 96 TYR N N 96 117.063 117.063 119.505 -2.442 18817 421 1 1 . 1 1 96 96 TYR C C 96 176.535 176.535 177.231 -0.696 18817 422 1 1 . 1 1 96 96 TYR CA C 96 58.804 58.804 61.304 -2.500 18817 423 1 1 . 1 1 96 96 TYR CB C 96 37.106 37.106 38.568 -1.462 18817 424 1 1 . 1 1 96 96 TYR H H 96 7.916 7.916 8.593 -0.677 18817 425 1 1 . 1 1 97 97 LYS N N 97 120.781 120.781 118.906 1.875 18817 426 1 1 . 1 1 97 97 LYS C C 97 178.281 178.281 178.357 -0.076 18817 427 1 1 . 1 1 97 97 LYS CA C 97 59.605 59.605 59.075 0.530 18817 428 1 1 . 1 1 97 97 LYS CB C 97 31.265 31.265 32.115 -0.851 18817 429 1 1 . 1 1 97 97 LYS H H 97 7.610 7.610 7.567 0.043 18817 430 1 1 . 1 1 98 98 SER N N 98 113.319 113.319 115.592 -2.273 18817 431 1 1 . 1 1 98 98 SER C C 98 176.355 176.355 176.475 -0.120 18817 432 1 1 . 1 1 98 98 SER CA C 98 60.840 60.840 61.238 -0.398 18817 433 1 1 . 1 1 98 98 SER CB C 98 61.944 61.944 62.612 -0.668 18817 434 1 1 . 1 1 98 98 SER H H 98 8.180 8.180 7.808 0.372 18817 435 1 1 . 1 1 99 99 GLN N N 99 121.218 121.218 120.674 0.544 18817 436 1 1 . 1 1 99 99 GLN C C 99 178.134 178.134 178.334 -0.200 18817 437 1 1 . 1 1 99 99 GLN CA C 99 58.234 58.234 58.780 -0.546 18817 438 1 1 . 1 1 99 99 GLN CB C 99 27.521 27.521 28.012 -0.491 18817 439 1 1 . 1 1 99 99 GLN H H 99 7.822 7.822 7.823 -0.001 18817 440 1 1 . 1 1 100 100 ILE N N 100 119.936 119.936 119.158 0.778 18817 441 1 1 . 1 1 100 100 ILE C C 100 177.443 177.443 178.286 -0.843 18817 442 1 1 . 1 1 100 100 ILE CA C 100 63.808 63.808 64.161 -0.353 18817 443 1 1 . 1 1 100 100 ILE CB C 100 36.622 36.622 37.396 -0.774 18817 444 1 1 . 1 1 100 100 ILE H H 100 7.992 7.992 7.286 0.706 18817 445 1 1 . 1 1 101 101 LEU N N 101 120.350 120.350 120.964 -0.614 18817 446 1 1 . 1 1 101 101 LEU C C 101 178.913 178.913 178.098 0.815 18817 447 1 1 . 1 1 101 101 LEU CA C 101 56.911 56.911 58.191 -1.280 18817 448 1 1 . 1 1 101 101 LEU CB C 101 40.296 40.296 42.068 -1.772 18817 449 1 1 . 1 1 101 101 LEU H H 101 7.861 7.861 7.753 0.108 18817 450 1 1 . 1 1 102 102 ASN N N 102 117.859 117.859 118.181 -0.322 18817 451 1 1 . 1 1 102 102 ASN C C 102 177.647 177.647 177.624 0.023 18817 452 1 1 . 1 1 102 102 ASN CA C 102 54.937 54.937 56.544 -1.607 18817 453 1 1 . 1 1 102 102 ASN CB C 102 37.917 37.917 38.775 -0.858 18817 454 1 1 . 1 1 102 102 ASN H H 102 7.767 7.767 8.309 -0.542 18817 455 1 1 . 1 1 103 103 LEU N N 103 122.625 122.625 120.958 1.667 18817 456 1 1 . 1 1 103 103 LEU C C 103 178.656 178.656 178.477 0.179 18817 457 1 1 . 1 1 103 103 LEU CA C 103 57.339 57.339 58.682 -1.343 18817 458 1 1 . 1 1 103 103 LEU CB C 103 40.726 40.726 41.854 -1.128 18817 459 1 1 . 1 1 103 103 LEU H H 103 8.021 8.021 7.887 0.134 18817 460 1 1 . 1 1 104 104 GLU N N 104 118.900 118.900 117.903 0.997 18817 461 1 1 . 1 1 104 104 GLU C C 104 178.825 178.825 178.755 0.070 18817 462 1 1 . 1 1 104 104 GLU CA C 104 58.665 58.665 59.592 -0.927 18817 463 1 1 . 1 1 104 104 GLU CB C 104 27.791 27.791 29.415 -1.624 18817 464 1 1 . 1 1 104 104 GLU H H 104 8.267 8.267 7.759 0.508 18817 465 1 1 . 1 1 105 105 GLU N N 105 119.025 119.025 119.506 -0.481 18817 466 1 1 . 1 1 105 105 GLU C C 105 178.532 178.532 178.910 -0.378 18817 467 1 1 . 1 1 105 105 GLU CA C 105 57.823 57.823 59.295 -1.472 18817 468 1 1 . 1 1 105 105 GLU CB C 105 28.159 28.159 29.586 -1.427 18817 469 1 1 . 1 1 105 105 GLU H H 105 8.079 8.079 7.615 0.464 18817 470 1 1 . 1 1 106 106 SER N N 106 116.209 116.209 115.774 0.435 18817 471 1 1 . 1 1 106 106 SER C C 106 175.406 175.406 176.474 -1.068 18817 472 1 1 . 1 1 106 106 SER CA C 106 60.134 60.134 61.141 -1.007 18817 473 1 1 . 1 1 106 106 SER CB C 106 62.748 62.748 63.196 -0.448 18817 474 1 1 . 1 1 106 106 SER H H 106 7.942 7.942 8.225 -0.283 18817 475 1 1 . 1 1 107 107 LYS N N 107 121.873 121.873 122.181 -0.308 18817 476 1 1 . 1 1 107 107 LYS C C 107 177.217 177.217 178.332 -1.115 18817 477 1 1 . 1 1 107 107 LYS CA C 107 59.017 59.017 59.664 -0.647 18817 478 1 1 . 1 1 107 107 LYS CB C 107 31.428 31.428 32.448 -1.020 18817 479 1 1 . 1 1 107 107 LYS H H 107 7.917 7.917 7.720 0.197 18817 480 1 1 . 1 1 108 108 ALA N N 108 121.920 121.920 119.524 2.396 18817 481 1 1 . 1 1 108 108 ALA C C 108 179.577 179.577 179.713 -0.136 18817 482 1 1 . 1 1 108 108 ALA CA C 108 54.338 54.338 54.856 -0.518 18817 483 1 1 . 1 1 108 108 ALA CB C 108 17.570 17.570 18.473 -0.903 18817 484 1 1 . 1 1 108 108 ALA H H 108 7.956 7.956 7.648 0.308 18817 485 1 1 . 1 1 109 109 THR N N 109 114.512 114.512 115.339 -0.827 18817 486 1 1 . 1 1 109 109 THR C C 109 176.373 176.373 176.698 -0.325 18817 487 1 1 . 1 1 109 109 THR CA C 109 64.381 64.381 66.108 -1.727 18817 488 1 1 . 1 1 109 109 THR CB C 109 68.652 68.652 68.905 -0.253 18817 489 1 1 . 1 1 109 109 THR H H 109 7.844 7.844 7.663 0.181 18817 490 1 1 . 1 1 110 110 ILE N N 110 122.486 122.486 122.677 -0.191 18817 491 1 1 . 1 1 110 110 ILE C C 110 177.059 177.059 177.236 -0.177 18817 492 1 1 . 1 1 110 110 ILE CA C 110 64.071 64.071 65.439 -1.368 18817 493 1 1 . 1 1 110 110 ILE CB C 110 36.915 36.915 37.862 -0.947 18817 494 1 1 . 1 1 110 110 ILE H H 110 8.000 8.000 8.739 -0.739 18817 495 1 1 . 1 1 111 111 HIS N N 111 118.524 118.524 119.013 -0.489 18817 496 1 1 . 1 1 111 111 HIS C C 111 176.567 176.567 177.071 -0.504 18817 497 1 1 . 1 1 111 111 HIS CA C 111 58.118 58.118 59.493 -1.375 18817 498 1 1 . 1 1 111 111 HIS CB C 111 28.153 28.153 30.156 -2.003 18817 499 1 1 . 1 1 111 111 HIS H H 111 8.324 8.324 8.292 0.032 18817 500 1 1 . 1 1 112 112 GLU N N 112 118.814 118.814 118.778 0.036 18817 501 1 1 . 1 1 112 112 GLU C C 112 177.683 177.683 178.700 -1.017 18817 502 1 1 . 1 1 112 112 GLU CA C 112 57.625 57.625 59.312 -1.687 18817 503 1 1 . 1 1 112 112 GLU CB C 112 28.429 28.429 29.275 -0.846 18817 504 1 1 . 1 1 112 112 GLU H H 112 8.110 8.110 7.855 0.255 18817 505 1 1 . 1 1 113 113 ASN N N 113 117.915 117.915 117.427 0.488 18817 506 1 1 . 1 1 113 113 ASN C C 113 176.404 176.404 178.152 -1.748 18817 507 1 1 . 1 1 113 113 ASN CA C 113 54.713 54.713 55.819 -1.106 18817 508 1 1 . 1 1 113 113 ASN CB C 113 38.811 38.811 38.275 0.536 18817 509 1 1 . 1 1 113 113 ASN H H 113 7.982 7.982 7.538 0.444 18817 510 1 1 . 1 1 114 114 ILE N N 114 119.971 119.971 117.733 2.238 18817 511 1 1 . 1 1 114 114 ILE C C 114 177.039 177.039 178.340 -1.301 18817 512 1 1 . 1 1 114 114 ILE CA C 114 63.324 63.324 62.569 0.755 18817 513 1 1 . 1 1 114 114 ILE CB C 114 37.055 37.055 36.070 0.985 18817 514 1 1 . 1 1 114 114 ILE H H 114 8.041 8.041 7.598 0.443 18817 515 1 1 . 1 1 115 115 GLY N N 115 108.864 108.864 108.299 0.565 18817 516 1 1 . 1 1 115 115 GLY C C 115 175.204 175.204 175.355 -0.151 18817 517 1 1 . 1 1 115 115 GLY CA C 115 45.868 45.868 46.650 -0.782 18817 518 1 1 . 1 1 115 115 GLY H H 115 7.977 7.977 7.511 0.466 18817 519 1 1 . 1 1 116 116 ALA N N 116 123.570 123.570 123.625 -0.055 18817 520 1 1 . 1 1 116 116 ALA HA H 116 4.254 4.254 4.217 0.037 18817 521 1 1 . 1 1 116 116 ALA C C 116 178.382 178.382 176.916 1.466 18817 522 1 1 . 1 1 116 116 ALA CA C 116 52.974 52.974 53.412 -0.438 18817 523 1 1 . 1 1 116 116 ALA CB C 116 18.106 18.106 19.420 -1.314 18817 524 1 1 . 1 1 116 116 ALA H H 116 7.818 7.818 7.748 0.070 18817 525 1 1 . 1 1 117 117 ALA N N 117 120.751 120.751 119.348 1.403 18817 526 1 1 . 1 1 117 117 ALA C C 117 178.099 178.099 176.358 1.741 18817 527 1 1 . 1 1 117 117 ALA CA C 117 52.818 52.818 52.484 0.334 18817 528 1 1 . 1 1 117 117 ALA CB C 117 18.130 18.130 19.238 -1.108 18817 529 1 1 . 1 1 117 117 ALA H H 117 7.766 7.766 7.427 0.339 18817 530 1 1 . 1 1 118 118 GLY N N 118 105.627 105.627 110.352 -4.725 18817 531 1 1 . 1 1 118 118 GLY C C 118 174.144 174.144 173.960 0.184 18817 532 1 1 . 1 1 118 118 GLY CA C 118 45.505 45.505 45.252 0.254 18817 533 1 1 . 1 1 118 118 GLY H H 118 7.885 7.885 8.636 -0.751 18817 534 1 1 . 1 1 119 119 PHE N N 119 119.825 119.825 124.198 -4.373 18817 535 1 1 . 1 1 119 119 PHE HA H 119 4.542 4.542 4.724 -0.182 18817 536 1 1 . 1 1 119 119 PHE C C 119 175.543 175.543 175.798 -0.255 18817 537 1 1 . 1 1 119 119 PHE CA C 119 57.858 57.858 57.477 0.381 18817 538 1 1 . 1 1 119 119 PHE CB C 119 38.866 38.866 40.456 -1.591 18817 539 1 1 . 1 1 119 119 PHE H H 119 7.730 7.730 8.050 -0.320 18817 540 1 1 . 1 1 120 120 LYS N N 120 122.164 122.164 124.445 -2.281 18817 541 1 1 . 1 1 120 120 LYS C C 120 175.748 175.748 176.486 -0.738 18817 542 1 1 . 1 1 120 120 LYS CA C 120 55.644 55.644 56.712 -1.069 18817 543 1 1 . 1 1 120 120 LYS CB C 120 32.442 32.442 32.709 -0.267 18817 544 1 1 . 1 1 120 120 LYS H H 120 7.897 7.897 8.153 -0.256 18817 545 1 1 . 1 1 121 121 MET N N 121 119.305 119.305 117.070 2.235 18817 546 1 1 . 1 1 121 121 MET HA H 121 4.481 4.481 4.762 -0.281 18817 547 1 1 . 1 1 121 121 MET C C 121 175.641 175.641 176.166 -0.525 18817 548 1 1 . 1 1 121 121 MET CA C 121 54.851 54.851 55.138 -0.286 18817 549 1 1 . 1 1 121 121 MET CB C 121 32.855 32.855 33.741 -0.886 18817 550 1 1 . 1 1 121 121 MET H H 121 7.937 7.937 7.892 0.045 18817 551 1 1 . 1 1 122 122 SER N N 122 117.184 117.184 117.931 -0.747 18817 552 1 1 . 1 1 122 122 SER C C 122 173.619 173.619 173.456 0.163 18817 553 1 1 . 1 1 122 122 SER CA C 122 57.625 57.625 57.350 0.275 18817 554 1 1 . 1 1 122 122 SER CB C 122 62.847 62.847 63.384 -0.537 18817 555 1 1 . 1 1 122 122 SER H H 122 8.052 8.052 8.670 -0.618 18817 556 1 2 . 1 1 2 2 SER C C 2 172.027 172.027 174.847 -2.820 18817 557 1 2 . 1 1 2 2 SER CA C 2 56.474 56.474 57.319 -0.845 18817 558 1 2 . 1 1 2 2 SER CB C 2 63.484 63.484 65.845 -2.361 18817 559 1 2 . 1 1 3 3 THR N N 3 119.004 119.004 117.375 1.629 18817 560 1 2 . 1 1 3 3 THR C C 3 175.867 175.867 175.937 -0.070 18817 561 1 2 . 1 1 3 3 THR CA C 3 65.068 65.068 64.899 0.169 18817 562 1 2 . 1 1 3 3 THR CB C 3 68.441 68.441 68.612 -0.171 18817 563 1 2 . 1 1 3 3 THR H H 3 8.964 8.964 8.576 0.388 18817 564 1 2 . 1 1 4 4 LEU N N 4 121.518 121.518 120.506 1.012 18817 565 1 2 . 1 1 4 4 LEU C C 4 178.886 178.886 178.808 0.078 18817 566 1 2 . 1 1 4 4 LEU CA C 4 57.246 57.246 57.488 -0.242 18817 567 1 2 . 1 1 4 4 LEU CB C 4 40.645 40.645 41.539 -0.894 18817 568 1 2 . 1 1 4 4 LEU H H 4 8.487 8.487 7.850 0.637 18817 569 1 2 . 1 1 5 5 SER N N 5 117.162 117.162 114.700 2.462 18817 570 1 2 . 1 1 5 5 SER C C 5 176.676 176.676 176.806 -0.130 18817 571 1 2 . 1 1 5 5 SER CA C 5 60.827 60.827 60.740 0.087 18817 572 1 2 . 1 1 5 5 SER CB C 5 61.776 61.776 63.326 -1.550 18817 573 1 2 . 1 1 5 5 SER H H 5 8.289 8.289 7.815 0.474 18817 574 1 2 . 1 1 6 6 ASN N N 6 122.387 122.387 120.022 2.365 18817 575 1 2 . 1 1 6 6 ASN HA H 6 4.230 4.230 4.493 -0.263 18817 576 1 2 . 1 1 6 6 ASN C C 6 177.833 177.833 177.289 0.544 18817 577 1 2 . 1 1 6 6 ASN CA C 6 55.400 55.400 56.124 -0.724 18817 578 1 2 . 1 1 6 6 ASN CB C 6 37.348 37.348 38.562 -1.214 18817 579 1 2 . 1 1 6 6 ASN H H 6 8.160 8.160 7.755 0.405 18817 580 1 2 . 1 1 7 7 PHE N N 7 121.724 121.724 119.277 2.447 18817 581 1 2 . 1 1 7 7 PHE C C 7 177.171 177.171 176.952 0.219 18817 582 1 2 . 1 1 7 7 PHE CA C 7 60.731 60.731 60.108 0.623 18817 583 1 2 . 1 1 7 7 PHE CB C 7 38.693 38.693 38.875 -0.182 18817 584 1 2 . 1 1 7 7 PHE H H 7 8.254 8.254 7.830 0.424 18817 585 1 2 . 1 1 8 8 THR N N 8 113.736 113.736 114.521 -0.785 18817 586 1 2 . 1 1 8 8 THR HA H 8 4.278 4.278 3.624 0.654 18817 587 1 2 . 1 1 8 8 THR C C 8 176.016 176.016 176.591 -0.575 18817 588 1 2 . 1 1 8 8 THR CA C 8 66.400 66.400 66.274 0.126 18817 589 1 2 . 1 1 8 8 THR CB C 8 67.084 67.084 68.043 -0.959 18817 590 1 2 . 1 1 8 8 THR H H 8 8.399 8.399 7.672 0.727 18817 591 1 2 . 1 1 9 9 GLN N N 9 121.349 121.349 119.850 1.499 18817 592 1 2 . 1 1 9 9 GLN C C 9 178.464 178.464 177.881 0.583 18817 593 1 2 . 1 1 9 9 GLN CA C 9 58.448 58.448 59.364 -0.916 18817 594 1 2 . 1 1 9 9 GLN CB C 9 27.564 27.564 28.418 -0.854 18817 595 1 2 . 1 1 9 9 GLN H H 9 7.942 7.942 7.605 0.337 18817 596 1 2 . 1 1 10 10 THR N N 10 117.451 117.451 115.783 1.668 18817 597 1 2 . 1 1 10 10 THR HA H 10 4.278 4.278 3.968 0.310 18817 598 1 2 . 1 1 10 10 THR C C 10 176.380 176.380 176.516 -0.136 18817 599 1 2 . 1 1 10 10 THR CA C 10 66.353 66.353 65.676 0.677 18817 600 1 2 . 1 1 10 10 THR CB C 10 67.910 67.910 67.986 -0.076 18817 601 1 2 . 1 1 10 10 THR H H 10 7.767 7.767 7.223 0.544 18817 602 1 2 . 1 1 11 11 LEU N N 11 121.448 121.448 121.404 0.044 18817 603 1 2 . 1 1 11 11 LEU C C 11 178.255 178.255 178.169 0.086 18817 604 1 2 . 1 1 11 11 LEU CA C 11 57.614 57.614 58.307 -0.693 18817 605 1 2 . 1 1 11 11 LEU CB C 11 40.574 40.574 41.443 -0.869 18817 606 1 2 . 1 1 11 11 LEU H H 11 7.958 7.958 7.448 0.510 18817 607 1 2 . 1 1 12 12 GLU N N 12 117.911 117.911 119.635 -1.724 18817 608 1 2 . 1 1 12 12 GLU C C 12 177.809 177.809 178.855 -1.046 18817 609 1 2 . 1 1 12 12 GLU CA C 12 59.675 59.675 60.081 -0.406 18817 610 1 2 . 1 1 12 12 GLU CB C 12 27.358 27.358 29.064 -1.706 18817 611 1 2 . 1 1 12 12 GLU H H 12 8.206 8.206 7.542 0.664 18817 612 1 2 . 1 1 13 13 ASP C C 13 178.880 178.880 179.144 -0.264 18817 613 1 2 . 1 1 13 13 ASP CA C 13 58.468 58.468 57.027 1.441 18817 614 1 2 . 1 1 13 13 ASP CB C 13 40.613 40.613 40.605 0.008 18817 615 1 2 . 1 1 14 14 VAL N N 14 118.703 118.703 120.082 -1.379 18817 616 1 2 . 1 1 14 14 VAL C C 14 177.885 177.885 178.068 -0.183 18817 617 1 2 . 1 1 14 14 VAL CA C 14 66.212 66.212 66.784 -0.572 18817 618 1 2 . 1 1 14 14 VAL CB C 14 30.614 30.614 31.790 -1.176 18817 619 1 2 . 1 1 14 14 VAL H H 14 8.943 8.943 7.609 1.334 18817 620 1 2 . 1 1 15 15 PHE N N 15 118.897 118.897 120.913 -2.016 18817 621 1 2 . 1 1 15 15 PHE C C 15 177.542 177.542 177.682 -0.140 18817 622 1 2 . 1 1 15 15 PHE CA C 15 61.165 61.165 61.395 -0.230 18817 623 1 2 . 1 1 15 15 PHE CB C 15 37.723 37.723 39.085 -1.362 18817 624 1 2 . 1 1 15 15 PHE H H 15 8.379 8.379 9.116 -0.737 18817 625 1 2 . 1 1 16 16 ARG N N 16 119.285 119.285 119.735 -0.450 18817 626 1 2 . 1 1 16 16 ARG C C 16 177.852 177.852 178.378 -0.526 18817 627 1 2 . 1 1 16 16 ARG CA C 16 59.972 59.972 59.947 0.025 18817 628 1 2 . 1 1 16 16 ARG CB C 16 29.491 29.491 30.262 -0.771 18817 629 1 2 . 1 1 16 16 ARG H H 16 8.455 8.455 8.788 -0.333 18817 630 1 2 . 1 1 17 17 ARG N N 17 117.721 117.721 120.078 -2.357 18817 631 1 2 . 1 1 17 17 ARG C C 17 179.606 179.606 178.697 0.909 18817 632 1 2 . 1 1 17 17 ARG CA C 17 58.965 58.965 58.981 -0.016 18817 633 1 2 . 1 1 17 17 ARG CB C 17 29.220 29.220 29.977 -0.758 18817 634 1 2 . 1 1 17 17 ARG H H 17 7.816 7.816 7.941 -0.125 18817 635 1 2 . 1 1 18 18 ILE N N 18 121.097 121.097 121.268 -0.171 18817 636 1 2 . 1 1 18 18 ILE C C 18 177.115 177.115 178.363 -1.248 18817 637 1 2 . 1 1 18 18 ILE CA C 18 64.570 64.570 65.294 -0.724 18817 638 1 2 . 1 1 18 18 ILE CB C 18 37.150 37.150 37.935 -0.785 18817 639 1 2 . 1 1 18 18 ILE H H 18 8.180 8.180 8.513 -0.333 18817 640 1 2 . 1 1 19 19 PHE N N 19 120.545 120.545 120.928 -0.383 18817 641 1 2 . 1 1 19 19 PHE C C 19 177.154 177.154 177.222 -0.068 18817 642 1 2 . 1 1 19 19 PHE CA C 19 61.665 61.665 61.812 -0.147 18817 643 1 2 . 1 1 19 19 PHE CB C 19 38.609 38.609 39.102 -0.493 18817 644 1 2 . 1 1 19 19 PHE H H 19 8.407 8.407 7.762 0.645 18817 645 1 2 . 1 1 20 20 ILE N N 20 118.206 118.206 119.359 -1.153 18817 646 1 2 . 1 1 20 20 ILE C C 20 177.915 177.915 178.220 -0.305 18817 647 1 2 . 1 1 20 20 ILE CA C 20 63.965 63.965 64.740 -0.775 18817 648 1 2 . 1 1 20 20 ILE CB C 20 36.828 36.828 37.172 -0.344 18817 649 1 2 . 1 1 20 20 ILE H H 20 8.350 8.350 7.925 0.425 18817 650 1 2 . 1 1 21 21 THR N N 21 116.423 116.423 113.929 2.494 18817 651 1 2 . 1 1 21 21 THR C C 21 176.419 176.419 176.444 -0.025 18817 652 1 2 . 1 1 21 21 THR CA C 21 66.069 66.069 66.077 -0.008 18817 653 1 2 . 1 1 21 21 THR CB C 21 68.168 68.168 69.156 -0.988 18817 654 1 2 . 1 1 21 21 THR H H 21 7.692 7.692 8.755 -1.063 18817 655 1 2 . 1 1 22 22 TYR N N 22 121.108 121.108 124.622 -3.514 18817 656 1 2 . 1 1 22 22 TYR C C 22 177.398 177.398 177.382 0.016 18817 657 1 2 . 1 1 22 22 TYR CA C 22 60.953 60.953 60.344 0.609 18817 658 1 2 . 1 1 22 22 TYR CB C 22 37.643 37.643 37.722 -0.079 18817 659 1 2 . 1 1 22 22 TYR H H 22 8.028 8.028 8.352 -0.324 18817 660 1 2 . 1 1 23 23 MET N N 23 118.337 118.337 116.882 1.455 18817 661 1 2 . 1 1 23 23 MET C C 23 178.156 178.156 177.812 0.344 18817 662 1 2 . 1 1 23 23 MET CA C 23 57.078 57.078 57.677 -0.599 18817 663 1 2 . 1 1 23 23 MET CB C 23 30.583 30.583 31.546 -0.963 18817 664 1 2 . 1 1 23 23 MET H H 23 8.135 8.135 7.979 0.156 18817 665 1 2 . 1 1 24 24 ASP N N 24 118.883 118.883 120.136 -1.253 18817 666 1 2 . 1 1 24 24 ASP C C 24 177.682 177.682 178.149 -0.467 18817 667 1 2 . 1 1 24 24 ASP CA C 24 56.222 56.222 57.175 -0.953 18817 668 1 2 . 1 1 24 24 ASP CB C 24 39.820 39.820 40.835 -1.015 18817 669 1 2 . 1 1 24 24 ASP H H 24 8.208 8.208 7.731 0.477 18817 670 1 2 . 1 1 25 25 ASN N N 25 116.989 116.989 117.476 -0.487 18817 671 1 2 . 1 1 25 25 ASN C C 25 176.452 176.452 177.604 -1.152 18817 672 1 2 . 1 1 25 25 ASN CA C 25 54.859 54.859 55.324 -0.465 18817 673 1 2 . 1 1 25 25 ASN CB C 25 38.679 38.679 38.673 0.006 18817 674 1 2 . 1 1 25 25 ASN H H 25 7.746 7.746 7.584 0.162 18817 675 1 2 . 1 1 26 26 TRP N N 26 120.811 120.811 122.302 -1.491 18817 676 1 2 . 1 1 26 26 TRP C C 26 177.694 177.694 178.625 -0.931 18817 677 1 2 . 1 1 26 26 TRP CA C 26 58.922 58.922 61.493 -2.571 18817 678 1 2 . 1 1 26 26 TRP CB C 26 28.772 28.772 29.378 -0.606 18817 679 1 2 . 1 1 26 26 TRP H H 26 7.951 7.951 7.550 0.401 18817 680 1 2 . 1 1 27 27 ARG N N 27 119.926 119.926 118.996 0.930 18817 681 1 2 . 1 1 27 27 ARG C C 27 177.355 177.355 178.474 -1.119 18817 682 1 2 . 1 1 27 27 ARG CA C 27 57.844 57.844 59.053 -1.209 18817 683 1 2 . 1 1 27 27 ARG CB C 27 29.249 29.249 29.877 -0.628 18817 684 1 2 . 1 1 27 27 ARG H H 27 7.971 7.971 7.647 0.324 18817 685 1 2 . 1 1 28 28 GLN N N 28 118.022 118.022 118.891 -0.869 18817 686 1 2 . 1 1 28 28 GLN C C 28 176.547 176.547 177.380 -0.833 18817 687 1 2 . 1 1 28 28 GLN CA C 28 56.751 56.751 58.253 -1.502 18817 688 1 2 . 1 1 28 28 GLN CB C 28 28.167 28.167 28.475 -0.308 18817 689 1 2 . 1 1 28 28 GLN H H 28 7.868 7.868 8.293 -0.425 18817 690 1 2 . 1 1 29 29 ASN N N 29 118.257 118.257 117.552 0.705 18817 691 1 2 . 1 1 29 29 ASN C C 29 175.576 175.576 176.478 -0.902 18817 692 1 2 . 1 1 29 29 ASN CA C 29 53.311 53.311 55.638 -2.327 18817 693 1 2 . 1 1 29 29 ASN CB C 29 38.530 38.530 37.856 0.674 18817 694 1 2 . 1 1 29 29 ASN H H 29 7.915 7.915 7.758 0.157 18817 695 1 2 . 1 1 30 30 THR N N 30 113.464 113.464 114.923 -1.459 18817 696 1 2 . 1 1 30 30 THR HA H 30 4.348 4.348 3.873 0.475 18817 697 1 2 . 1 1 30 30 THR C C 30 175.453 175.453 176.044 -0.591 18817 698 1 2 . 1 1 30 30 THR CA C 30 62.528 62.528 65.944 -3.416 18817 699 1 2 . 1 1 30 30 THR CB C 30 69.103 69.103 68.677 0.426 18817 700 1 2 . 1 1 30 30 THR H H 30 7.840 7.840 7.368 0.472 18817 701 1 2 . 1 1 31 31 THR N N 31 116.868 116.868 114.828 2.040 18817 702 1 2 . 1 1 31 31 THR C C 31 175.450 175.450 176.255 -0.805 18817 703 1 2 . 1 1 31 31 THR CA C 31 63.705 63.705 65.936 -2.231 18817 704 1 2 . 1 1 31 31 THR CB C 31 69.132 69.132 68.661 0.471 18817 705 1 2 . 1 1 31 31 THR H H 31 7.955 7.955 7.850 0.105 18817 706 1 2 . 1 1 32 32 ALA N N 32 124.803 124.803 123.760 1.043 18817 707 1 2 . 1 1 32 32 ALA C C 32 179.686 179.686 179.267 0.419 18817 708 1 2 . 1 1 32 32 ALA CA C 32 53.748 53.748 54.629 -0.881 18817 709 1 2 . 1 1 32 32 ALA CB C 32 17.669 17.669 18.141 -0.472 18817 710 1 2 . 1 1 32 32 ALA H H 32 8.226 8.226 7.568 0.658 18817 711 1 2 . 1 1 33 33 GLU N N 33 118.847 118.847 119.193 -0.346 18817 712 1 2 . 1 1 33 33 GLU C C 33 177.525 177.525 178.454 -0.929 18817 713 1 2 . 1 1 33 33 GLU CA C 33 58.026 58.026 59.317 -1.291 18817 714 1 2 . 1 1 33 33 GLU CB C 33 27.793 27.793 29.330 -1.537 18817 715 1 2 . 1 1 33 33 GLU H H 33 8.153 8.153 7.804 0.349 18817 716 1 2 . 1 1 34 34 GLN N N 34 119.840 119.840 118.461 1.379 18817 717 1 2 . 1 1 34 34 GLN C C 34 177.628 177.628 178.448 -0.820 18817 718 1 2 . 1 1 34 34 GLN CA C 34 57.976 57.976 59.300 -1.324 18817 719 1 2 . 1 1 34 34 GLN CB C 34 27.786 27.786 28.421 -0.635 18817 720 1 2 . 1 1 34 34 GLN H H 34 8.109 8.109 7.704 0.405 18817 721 1 2 . 1 1 35 35 GLU N N 35 119.894 119.894 119.019 0.875 18817 722 1 2 . 1 1 35 35 GLU C C 35 178.149 178.149 179.007 -0.858 18817 723 1 2 . 1 1 35 35 GLU CA C 35 58.160 58.160 58.795 -0.635 18817 724 1 2 . 1 1 35 35 GLU CB C 35 28.337 28.337 29.569 -1.232 18817 725 1 2 . 1 1 35 35 GLU H H 35 8.170 8.170 7.575 0.595 18817 726 1 2 . 1 1 36 36 ALA N N 36 123.045 123.045 122.597 0.448 18817 727 1 2 . 1 1 36 36 ALA C C 36 179.303 179.303 179.848 -0.545 18817 728 1 2 . 1 1 36 36 ALA CA C 36 53.615 53.615 54.663 -1.048 18817 729 1 2 . 1 1 36 36 ALA CB C 36 17.788 17.788 18.420 -0.632 18817 730 1 2 . 1 1 36 36 ALA H H 36 7.884 7.884 8.124 -0.240 18817 731 1 2 . 1 1 37 37 LEU N N 37 119.469 119.469 120.127 -0.658 18817 732 1 2 . 1 1 37 37 LEU C C 37 178.226 178.226 178.750 -0.524 18817 733 1 2 . 1 1 37 37 LEU CA C 37 56.671 56.671 58.064 -1.393 18817 734 1 2 . 1 1 37 37 LEU CB C 37 40.965 40.965 41.974 -1.009 18817 735 1 2 . 1 1 37 37 LEU H H 37 7.907 7.907 8.834 -0.927 18817 736 1 2 . 1 1 38 38 GLN N N 38 118.655 118.655 117.315 1.340 18817 737 1 2 . 1 1 38 38 GLN C C 38 176.775 176.775 178.348 -1.573 18817 738 1 2 . 1 1 38 38 GLN CA C 38 57.420 57.420 58.663 -1.243 18817 739 1 2 . 1 1 38 38 GLN CB C 38 28.042 28.042 28.067 -0.025 18817 740 1 2 . 1 1 38 38 GLN H H 38 8.097 8.097 7.934 0.163 18817 741 1 2 . 1 1 39 39 ALA N N 39 121.284 121.284 122.091 -0.807 18817 742 1 2 . 1 1 39 39 ALA C C 39 178.516 178.516 178.448 0.068 18817 743 1 2 . 1 1 39 39 ALA CA C 39 53.221 53.221 54.344 -1.123 18817 744 1 2 . 1 1 39 39 ALA CB C 39 18.032 18.032 18.440 -0.408 18817 745 1 2 . 1 1 39 39 ALA H H 39 7.724 7.724 8.250 -0.526 18817 746 1 2 . 1 1 40 40 LYS N N 40 118.343 118.343 117.650 0.693 18817 747 1 2 . 1 1 40 40 LYS C C 40 176.835 176.835 176.973 -0.138 18817 748 1 2 . 1 1 40 40 LYS CA C 40 56.436 56.436 56.853 -0.417 18817 749 1 2 . 1 1 40 40 LYS CB C 40 32.005 32.005 32.535 -0.530 18817 750 1 2 . 1 1 40 40 LYS H H 40 7.702 7.702 7.992 -0.290 18817 751 1 2 . 1 1 41 41 VAL N N 41 118.825 118.825 121.462 -2.637 18817 752 1 2 . 1 1 41 41 VAL C C 41 175.383 175.383 174.953 0.430 18817 753 1 2 . 1 1 41 41 VAL CA C 41 62.305 62.305 62.646 -0.341 18817 754 1 2 . 1 1 41 41 VAL CB C 41 31.695 31.695 29.613 2.082 18817 755 1 2 . 1 1 41 41 VAL H H 41 7.723 7.723 7.400 0.323 18817 756 1 2 . 1 1 42 42 ASP N N 42 122.980 122.980 119.488 3.492 18817 757 1 2 . 1 1 42 42 ASP HA H 42 4.323 4.323 4.333 -0.010 18817 758 1 2 . 1 1 42 42 ASP C C 42 176.128 176.128 176.541 -0.413 18817 759 1 2 . 1 1 42 42 ASP CA C 42 53.641 53.641 56.031 -2.390 18817 760 1 2 . 1 1 42 42 ASP CB C 42 40.281 40.281 39.883 0.398 18817 761 1 2 . 1 1 42 42 ASP H H 42 8.229 8.229 8.115 0.114 18817 762 1 2 . 1 1 43 43 ALA N N 43 123.146 123.146 122.625 0.521 18817 763 1 2 . 1 1 43 43 ALA C C 43 178.308 178.308 178.832 -0.524 18817 764 1 2 . 1 1 43 43 ALA CA C 43 53.366 53.366 54.445 -1.079 18817 765 1 2 . 1 1 43 43 ALA CB C 43 18.215 18.215 18.899 -0.684 18817 766 1 2 . 1 1 43 43 ALA H H 43 8.095 8.095 7.983 0.112 18817 767 1 2 . 1 1 44 44 GLU N N 44 117.625 117.625 117.816 -0.191 18817 768 1 2 . 1 1 44 44 GLU C C 44 176.974 176.974 177.222 -0.248 18817 769 1 2 . 1 1 44 44 GLU CA C 44 57.011 57.011 57.502 -0.491 18817 770 1 2 . 1 1 44 44 GLU CB C 44 28.434 28.434 30.200 -1.766 18817 771 1 2 . 1 1 44 44 GLU H H 44 8.173 8.173 7.900 0.273 18817 772 1 2 . 1 1 45 45 ASN N N 45 117.214 117.214 114.905 2.309 18817 773 1 2 . 1 1 45 45 ASN C C 45 176.652 176.652 175.488 1.164 18817 774 1 2 . 1 1 45 45 ASN CA C 45 53.544 53.544 54.612 -1.068 18817 775 1 2 . 1 1 45 45 ASN CB C 45 38.334 38.334 37.494 0.840 18817 776 1 2 . 1 1 45 45 ASN H H 45 8.059 8.059 8.703 -0.644 18817 777 1 2 . 1 1 46 46 PHE N N 46 120.987 120.987 118.037 2.950 18817 778 1 2 . 1 1 46 46 PHE C C 46 176.975 176.975 176.558 0.417 18817 779 1 2 . 1 1 46 46 PHE CA C 46 60.113 60.113 61.324 -1.211 18817 780 1 2 . 1 1 46 46 PHE CB C 46 38.290 38.290 39.158 -0.868 18817 781 1 2 . 1 1 46 46 PHE H H 46 8.163 8.163 8.528 -0.365 18817 782 1 2 . 1 1 47 47 TYR N N 47 116.519 116.519 117.145 -0.626 18817 783 1 2 . 1 1 47 47 TYR C C 47 176.063 176.063 177.640 -1.577 18817 784 1 2 . 1 1 47 47 TYR CA C 47 60.569 60.569 61.703 -1.134 18817 785 1 2 . 1 1 47 47 TYR CB C 47 36.886 36.886 37.928 -1.042 18817 786 1 2 . 1 1 47 47 TYR H H 47 7.417 7.417 8.176 -0.759 18817 787 1 2 . 1 1 48 48 TYR N N 48 116.519 116.519 119.693 -3.174 18817 788 1 2 . 1 1 48 48 TYR C C 48 177.063 177.063 177.415 -0.352 18817 789 1 2 . 1 1 48 48 TYR CA C 48 60.569 60.569 61.618 -1.049 18817 790 1 2 . 1 1 48 48 TYR CB C 48 36.886 36.886 38.259 -1.373 18817 791 1 2 . 1 1 48 48 TYR H H 48 7.417 7.417 8.083 -0.666 18817 792 1 2 . 1 1 49 49 VAL N N 49 118.292 118.292 119.694 -1.402 18817 793 1 2 . 1 1 49 49 VAL C C 49 177.154 177.154 177.809 -0.655 18817 794 1 2 . 1 1 49 49 VAL CA C 49 66.194 66.194 66.657 -0.463 18817 795 1 2 . 1 1 49 49 VAL CB C 49 30.389 30.389 31.265 -0.876 18817 796 1 2 . 1 1 49 49 VAL H H 49 7.439 7.439 7.835 -0.396 18817 797 1 2 . 1 1 50 50 ILE N N 50 117.581 117.581 119.618 -2.037 18817 798 1 2 . 1 1 50 50 ILE C C 50 177.307 177.307 178.310 -1.003 18817 799 1 2 . 1 1 50 50 ILE CA C 50 63.876 63.876 64.629 -0.753 18817 800 1 2 . 1 1 50 50 ILE CB C 50 35.725 35.725 36.728 -1.003 18817 801 1 2 . 1 1 50 50 ILE H H 50 7.491 7.491 7.260 0.231 18817 802 1 2 . 1 1 51 51 LEU N N 51 120.363 120.363 121.338 -0.975 18817 803 1 2 . 1 1 51 51 LEU C C 51 178.335 178.335 178.277 0.058 18817 804 1 2 . 1 1 51 51 LEU CA C 51 58.042 58.042 57.768 0.274 18817 805 1 2 . 1 1 51 51 LEU CB C 51 40.550 40.550 41.609 -1.059 18817 806 1 2 . 1 1 51 51 LEU H H 51 7.699 7.699 7.450 0.249 18817 807 1 2 . 1 1 53 53 LEU C C 53 178.638 178.638 178.489 0.149 18817 808 1 2 . 1 1 53 53 LEU CA C 53 57.795 57.795 58.246 -0.451 18817 809 1 2 . 1 1 53 53 LEU CB C 53 40.796 40.796 41.975 -1.179 18817 810 1 2 . 1 1 54 54 MET N N 54 117.957 117.957 118.340 -0.383 18817 811 1 2 . 1 1 54 54 MET C C 54 178.471 178.471 178.372 0.099 18817 812 1 2 . 1 1 54 54 MET CA C 54 58.432 58.432 58.861 -0.429 18817 813 1 2 . 1 1 54 54 MET CB C 54 31.395 31.395 32.501 -1.106 18817 814 1 2 . 1 1 54 54 MET H H 54 8.396 8.396 7.541 0.855 18817 815 1 2 . 1 1 56 56 MET C C 56 177.895 177.895 178.674 -0.779 18817 816 1 2 . 1 1 56 56 MET CA C 56 58.793 58.793 58.916 -0.124 18817 817 1 2 . 1 1 57 57 ILE N N 57 119.111 119.111 116.918 2.193 18817 818 1 2 . 1 1 57 57 ILE C C 57 179.504 179.504 178.232 1.272 18817 819 1 2 . 1 1 57 57 ILE CA C 57 64.890 64.890 64.083 0.807 18817 820 1 2 . 1 1 57 57 ILE CB C 57 36.497 36.497 36.245 0.253 18817 821 1 2 . 1 1 57 57 ILE H H 57 8.556 8.556 7.837 0.719 18817 822 1 2 . 1 1 58 58 GLY N N 58 111.097 111.097 108.806 2.291 18817 823 1 2 . 1 1 58 58 GLY C C 58 174.211 174.211 176.803 -2.592 18817 824 1 2 . 1 1 58 58 GLY CA C 58 47.038 47.038 47.282 -0.244 18817 825 1 2 . 1 1 58 58 GLY H H 58 8.745 8.745 7.958 0.787 18817 826 1 2 . 1 1 59 59 MET N N 59 120.903 120.903 121.180 -0.277 18817 827 1 2 . 1 1 59 59 MET C C 59 178.075 178.075 178.343 -0.268 18817 828 1 2 . 1 1 59 59 MET CA C 59 58.763 58.763 57.199 1.564 18817 829 1 2 . 1 1 59 59 MET CB C 59 32.415 32.415 31.740 0.675 18817 830 1 2 . 1 1 59 59 MET H H 59 8.612 8.612 8.519 0.093 18817 831 1 2 . 1 1 60 60 PHE N N 60 117.888 117.888 121.027 -3.139 18817 832 1 2 . 1 1 60 60 PHE C C 60 177.292 177.292 177.351 -0.059 18817 833 1 2 . 1 1 60 60 PHE CA C 60 60.486 60.486 62.299 -1.813 18817 834 1 2 . 1 1 60 60 PHE CB C 60 38.213 38.213 38.950 -0.737 18817 835 1 2 . 1 1 60 60 PHE H H 60 8.495 8.495 8.260 0.235 18817 836 1 2 . 1 1 61 61 SER N N 61 115.530 115.530 115.607 -0.077 18817 837 1 2 . 1 1 61 61 SER C C 61 175.141 175.141 176.706 -1.565 18817 838 1 2 . 1 1 61 61 SER CA C 61 63.198 63.198 61.777 1.421 18817 839 1 2 . 1 1 61 61 SER CB C 61 62.050 62.050 63.014 -0.964 18817 840 1 2 . 1 1 61 61 SER H H 61 8.338 8.338 8.833 -0.495 18817 841 1 2 . 1 1 62 62 PHE N N 62 121.237 121.237 122.456 -1.219 18817 842 1 2 . 1 1 62 62 PHE C C 62 176.761 176.761 176.419 0.342 18817 843 1 2 . 1 1 62 62 PHE CA C 62 60.791 60.791 60.747 0.044 18817 844 1 2 . 1 1 62 62 PHE CB C 62 38.124 38.124 39.415 -1.291 18817 845 1 2 . 1 1 62 62 PHE H H 62 8.077 8.077 7.384 0.693 18817 846 1 2 . 1 1 64 64 ILE N N 64 118.608 118.608 116.145 2.463 18817 847 1 2 . 1 1 64 64 ILE C C 64 177.805 177.805 177.615 0.190 18817 848 1 2 . 1 1 64 64 ILE CA C 64 64.465 64.465 64.966 -0.501 18817 849 1 2 . 1 1 64 64 ILE CB C 64 35.984 35.984 37.483 -1.499 18817 850 1 2 . 1 1 64 64 ILE H H 64 7.956 7.956 7.779 0.177 18817 851 1 2 . 1 1 65 65 VAL N N 65 119.395 119.395 121.601 -2.206 18817 852 1 2 . 1 1 65 65 VAL C C 65 177.045 177.045 177.741 -0.696 18817 853 1 2 . 1 1 65 65 VAL CA C 65 66.773 66.773 65.695 1.078 18817 854 1 2 . 1 1 65 65 VAL CB C 65 30.099 30.099 30.619 -0.519 18817 855 1 2 . 1 1 65 65 VAL H H 65 8.137 8.137 7.260 0.877 18817 856 1 2 . 1 1 67 67 ILE C C 67 179.153 179.153 177.923 1.230 18817 857 1 2 . 1 1 67 67 ILE CA C 67 64.933 64.933 64.375 0.558 18817 858 1 2 . 1 1 67 67 ILE CB C 67 36.977 36.977 37.300 -0.323 18817 859 1 2 . 1 1 68 68 LEU N N 68 123.998 123.998 120.572 3.426 18817 860 1 2 . 1 1 68 68 LEU HA H 68 4.301 4.301 3.889 0.412 18817 861 1 2 . 1 1 68 68 LEU CA C 68 58.529 58.529 58.566 -0.037 18817 862 1 2 . 1 1 68 68 LEU CB C 68 40.768 40.768 41.753 -0.985 18817 863 1 2 . 1 1 68 68 LEU H H 68 8.540 8.540 7.547 0.993 18817 864 1 2 . 1 1 69 69 VAL N N 69 120.584 120.584 119.387 1.197 18817 865 1 2 . 1 1 69 69 VAL C C 69 177.859 177.859 178.222 -0.363 18817 866 1 2 . 1 1 69 69 VAL CA C 69 65.949 65.949 67.281 -1.332 18817 867 1 2 . 1 1 69 69 VAL CB C 69 30.847 30.847 31.346 -0.499 18817 868 1 2 . 1 1 69 69 VAL H H 69 8.173 8.173 8.436 -0.263 18817 869 1 2 . 1 1 70 70 SER N N 70 114.121 114.121 116.431 -2.310 18817 870 1 2 . 1 1 70 70 SER CA C 70 61.630 61.630 62.184 -0.554 18817 871 1 2 . 1 1 70 70 SER CB C 70 62.527 62.527 62.535 -0.008 18817 872 1 2 . 1 1 70 70 SER H H 70 7.898 7.898 8.189 -0.291 18817 873 1 2 . 1 1 71 71 THR HA H 71 4.300 4.300 4.079 0.221 18817 874 1 2 . 1 1 71 71 THR C C 71 176.381 176.381 176.306 0.075 18817 875 1 2 . 1 1 71 71 THR CA C 71 65.981 65.981 66.235 -0.254 18817 876 1 2 . 1 1 71 71 THR CB C 71 68.416 68.416 68.710 -0.294 18817 877 1 2 . 1 1 72 72 VAL N N 72 121.958 121.958 120.108 1.850 18817 878 1 2 . 1 1 72 72 VAL C C 72 177.791 177.791 177.765 0.026 18817 879 1 2 . 1 1 72 72 VAL CA C 72 65.532 65.532 66.112 -0.580 18817 880 1 2 . 1 1 72 72 VAL CB C 72 30.882 30.882 31.864 -0.982 18817 881 1 2 . 1 1 72 72 VAL H H 72 8.092 8.092 8.174 -0.082 18817 882 1 2 . 1 1 73 73 LYS C C 73 178.310 178.310 178.862 -0.552 18817 883 1 2 . 1 1 73 73 LYS CA C 73 58.279 58.279 59.154 -0.875 18817 884 1 2 . 1 1 73 73 LYS CB C 73 31.350 31.350 31.526 -0.176 18817 885 1 2 . 1 1 74 74 SER N N 74 114.589 114.589 116.100 -1.511 18817 886 1 2 . 1 1 74 74 SER C C 74 175.895 175.895 176.473 -0.578 18817 887 1 2 . 1 1 74 74 SER CA C 74 59.979 59.979 61.290 -1.311 18817 888 1 2 . 1 1 74 74 SER CB C 74 62.823 62.823 62.798 0.025 18817 889 1 2 . 1 1 74 74 SER H H 74 7.816 7.816 8.228 -0.412 18817 890 1 2 . 1 1 75 75 LYS N N 75 121.984 121.984 121.623 0.361 18817 891 1 2 . 1 1 75 75 LYS C C 75 177.649 177.649 177.581 0.068 18817 892 1 2 . 1 1 75 75 LYS CA C 75 56.892 56.892 57.868 -0.976 18817 893 1 2 . 1 1 75 75 LYS CB C 75 31.263 31.263 32.546 -1.283 18817 894 1 2 . 1 1 75 75 LYS H H 75 7.964 7.964 7.492 0.472 18817 895 1 2 . 1 1 76 76 ARG N N 76 119.656 119.656 117.582 2.074 18817 896 1 2 . 1 1 76 76 ARG C C 76 177.010 177.010 176.578 0.432 18817 897 1 2 . 1 1 76 76 ARG CA C 76 56.671 56.671 57.412 -0.741 18817 898 1 2 . 1 1 76 76 ARG CB C 76 29.471 29.471 30.485 -1.014 18817 899 1 2 . 1 1 76 76 ARG H H 76 7.909 7.909 7.920 -0.011 18817 900 1 2 . 1 1 77 77 ARG N N 77 120.815 120.815 119.904 0.911 18817 901 1 2 . 1 1 77 77 ARG C C 77 176.633 176.633 175.464 1.169 18817 902 1 2 . 1 1 77 77 ARG CA C 77 56.355 56.355 54.913 1.442 18817 903 1 2 . 1 1 77 77 ARG CB C 77 29.718 29.718 29.780 -0.062 18817 904 1 2 . 1 1 77 77 ARG H H 77 7.860 7.860 7.387 0.473 18817 905 1 2 . 1 1 78 78 GLU N N 78 120.635 120.635 121.313 -0.678 18817 906 1 2 . 1 1 78 78 GLU C C 78 176.320 176.320 176.190 0.130 18817 907 1 2 . 1 1 78 78 GLU CA C 78 56.368 56.368 55.931 0.437 18817 908 1 2 . 1 1 78 78 GLU CB C 78 29.083 29.083 30.231 -1.148 18817 909 1 2 . 1 1 78 78 GLU H H 78 8.119 8.119 8.195 -0.076 18817 910 1 2 . 1 1 79 79 HIS N N 79 117.659 117.659 124.493 -6.834 18817 911 1 2 . 1 1 79 79 HIS C C 79 174.583 174.583 175.820 -1.237 18817 912 1 2 . 1 1 79 79 HIS CA C 79 54.918 54.918 57.813 -2.896 18817 913 1 2 . 1 1 79 79 HIS CB C 79 28.249 28.249 30.550 -2.301 18817 914 1 2 . 1 1 79 79 HIS H H 79 8.042 8.042 8.800 -0.758 18817 915 1 2 . 1 1 80 80 SER N N 80 116.920 116.920 113.329 3.591 18817 916 1 2 . 1 1 80 80 SER C C 80 174.323 174.323 173.305 1.018 18817 917 1 2 . 1 1 80 80 SER CA C 80 58.377 58.377 58.185 0.192 18817 918 1 2 . 1 1 80 80 SER CB C 80 63.113 63.113 63.426 -0.313 18817 919 1 2 . 1 1 80 80 SER H H 80 8.151 8.151 8.536 -0.385 18817 920 1 2 . 1 1 81 81 ASN N N 81 120.963 120.963 116.530 4.433 18817 921 1 2 . 1 1 81 81 ASN C C 81 174.436 174.436 173.688 0.748 18817 922 1 2 . 1 1 81 81 ASN CA C 81 52.945 52.945 54.334 -1.389 18817 923 1 2 . 1 1 81 81 ASN CB C 81 38.324 38.324 37.350 0.974 18817 924 1 2 . 1 1 81 81 ASN H H 81 8.411 8.411 8.591 -0.180 18817 925 1 2 . 1 1 83 83 PRO C C 83 176.072 176.072 175.659 0.413 18817 926 1 2 . 1 1 83 83 PRO CA C 83 62.420 62.420 62.512 -0.092 18817 927 1 2 . 1 1 83 83 PRO CB C 83 33.212 33.212 31.938 1.274 18817 928 1 2 . 1 1 84 84 TYR N N 84 124.146 124.146 121.962 2.184 18817 929 1 2 . 1 1 84 84 TYR C C 84 176.670 176.670 175.733 0.937 18817 930 1 2 . 1 1 84 84 TYR CA C 84 55.352 55.352 56.556 -1.204 18817 931 1 2 . 1 1 84 84 TYR CB C 84 40.958 40.958 38.160 2.798 18817 932 1 2 . 1 1 84 84 TYR H H 84 8.487 8.487 7.491 0.996 18817 933 1 2 . 1 1 86 86 GLN C C 86 177.884 177.884 177.913 -0.029 18817 934 1 2 . 1 1 86 86 GLN CA C 86 59.593 59.593 58.491 1.102 18817 935 1 2 . 1 1 86 86 GLN CB C 86 27.335 27.335 28.794 -1.459 18817 936 1 2 . 1 1 87 87 TYR N N 87 119.339 119.339 118.769 0.570 18817 937 1 2 . 1 1 87 87 TYR C C 87 178.922 178.922 176.882 2.040 18817 938 1 2 . 1 1 87 87 TYR CA C 87 57.225 57.225 59.550 -2.325 18817 939 1 2 . 1 1 87 87 TYR CB C 87 40.155 40.155 37.583 2.572 18817 940 1 2 . 1 1 87 87 TYR H H 87 7.981 7.981 8.406 -0.425 18817 941 1 2 . 1 1 88 88 ILE C C 88 175.951 175.951 177.336 -1.385 18817 942 1 2 . 1 1 89 89 VAL N N 89 119.921 119.921 119.223 0.698 18817 943 1 2 . 1 1 89 89 VAL C C 89 177.806 177.806 177.486 0.320 18817 944 1 2 . 1 1 89 89 VAL CA C 89 63.289 63.289 66.249 -2.960 18817 945 1 2 . 1 1 89 89 VAL CB C 89 31.247 31.247 31.678 -0.431 18817 946 1 2 . 1 1 89 89 VAL H H 89 7.397 7.397 7.459 -0.062 18817 947 1 2 . 1 1 90 90 GLU N N 90 119.266 119.266 119.126 0.140 18817 948 1 2 . 1 1 90 90 GLU C C 90 178.316 178.316 178.724 -0.408 18817 949 1 2 . 1 1 90 90 GLU CA C 90 58.285 58.285 59.362 -1.077 18817 950 1 2 . 1 1 90 90 GLU CB C 90 31.270 31.270 29.414 1.856 18817 951 1 2 . 1 1 90 90 GLU H H 90 8.111 8.111 7.609 0.502 18817 952 1 2 . 1 1 91 91 ASP C C 91 177.542 177.542 177.835 -0.293 18817 953 1 2 . 1 1 91 91 ASP CA C 91 56.637 56.637 56.620 0.017 18817 954 1 2 . 1 1 91 91 ASP CB C 91 38.852 38.852 40.952 -2.100 18817 955 1 2 . 1 1 92 92 TRP N N 92 120.874 120.874 121.488 -0.614 18817 956 1 2 . 1 1 92 92 TRP C C 92 177.384 177.384 178.045 -0.661 18817 957 1 2 . 1 1 92 92 TRP CA C 92 59.510 59.510 61.590 -2.080 18817 958 1 2 . 1 1 92 92 TRP CB C 92 27.817 27.817 29.771 -1.954 18817 959 1 2 . 1 1 92 92 TRP H H 92 7.852 7.852 7.866 -0.014 18817 960 1 2 . 1 1 93 93 GLN N N 93 119.478 119.478 118.412 1.066 18817 961 1 2 . 1 1 93 93 GLN C C 93 177.653 177.653 178.384 -0.731 18817 962 1 2 . 1 1 93 93 GLN CA C 93 58.991 58.991 59.650 -0.659 18817 963 1 2 . 1 1 93 93 GLN CB C 93 27.205 27.205 28.285 -1.080 18817 964 1 2 . 1 1 93 93 GLN H H 93 8.010 8.010 8.019 -0.009 18817 965 1 2 . 1 1 94 94 GLU N N 94 117.531 117.531 119.446 -1.915 18817 966 1 2 . 1 1 94 94 GLU C C 94 178.798 178.798 178.611 0.187 18817 967 1 2 . 1 1 94 94 GLU CA C 94 57.794 57.794 59.100 -1.306 18817 968 1 2 . 1 1 94 94 GLU CB C 94 28.816 28.816 29.701 -0.885 18817 969 1 2 . 1 1 94 94 GLU H H 94 7.589 7.589 7.791 -0.202 18817 970 1 2 . 1 1 95 95 LYS N N 95 119.905 119.905 119.434 0.471 18817 971 1 2 . 1 1 95 95 LYS C C 95 178.416 178.416 178.996 -0.580 18817 972 1 2 . 1 1 95 95 LYS CA C 95 58.576 58.576 58.561 0.015 18817 973 1 2 . 1 1 95 95 LYS CB C 95 32.120 32.120 32.402 -0.282 18817 974 1 2 . 1 1 95 95 LYS H H 95 7.832 7.832 7.600 0.232 18817 975 1 2 . 1 1 96 96 TYR N N 96 117.063 117.063 119.854 -2.791 18817 976 1 2 . 1 1 96 96 TYR C C 96 176.535 176.535 176.980 -0.445 18817 977 1 2 . 1 1 96 96 TYR CA C 96 58.804 58.804 59.890 -1.086 18817 978 1 2 . 1 1 96 96 TYR CB C 96 37.106 37.106 38.115 -1.009 18817 979 1 2 . 1 1 96 96 TYR H H 96 7.916 7.916 8.361 -0.445 18817 980 1 2 . 1 1 97 97 LYS N N 97 120.781 120.781 119.660 1.121 18817 981 1 2 . 1 1 97 97 LYS C C 97 178.281 178.281 178.720 -0.439 18817 982 1 2 . 1 1 97 97 LYS CA C 97 59.605 59.605 58.919 0.686 18817 983 1 2 . 1 1 97 97 LYS CB C 97 31.265 31.265 32.170 -0.905 18817 984 1 2 . 1 1 97 97 LYS H H 97 7.610 7.610 7.447 0.163 18817 985 1 2 . 1 1 98 98 SER N N 98 113.319 113.319 114.937 -1.618 18817 986 1 2 . 1 1 98 98 SER C C 98 176.355 176.355 176.424 -0.069 18817 987 1 2 . 1 1 98 98 SER CA C 98 60.840 60.840 62.002 -1.162 18817 988 1 2 . 1 1 98 98 SER CB C 98 61.944 61.944 62.927 -0.983 18817 989 1 2 . 1 1 98 98 SER H H 98 8.180 8.180 7.797 0.383 18817 990 1 2 . 1 1 99 99 GLN N N 99 121.218 121.218 119.808 1.410 18817 991 1 2 . 1 1 99 99 GLN C C 99 178.134 178.134 178.459 -0.325 18817 992 1 2 . 1 1 99 99 GLN CA C 99 58.234 58.234 58.953 -0.718 18817 993 1 2 . 1 1 99 99 GLN CB C 99 27.521 27.521 28.582 -1.061 18817 994 1 2 . 1 1 99 99 GLN H H 99 7.822 7.822 7.365 0.457 18817 995 1 2 . 1 1 100 100 ILE N N 100 119.936 119.936 119.261 0.675 18817 996 1 2 . 1 1 100 100 ILE C C 100 177.443 177.443 177.838 -0.395 18817 997 1 2 . 1 1 100 100 ILE CA C 100 63.808 63.808 64.290 -0.482 18817 998 1 2 . 1 1 100 100 ILE CB C 100 36.622 36.622 37.427 -0.805 18817 999 1 2 . 1 1 100 100 ILE H H 100 7.992 7.992 7.036 0.956 18817 1000 1 2 . 1 1 101 101 LEU N N 101 120.350 120.350 120.385 -0.035 18817 1001 1 2 . 1 1 101 101 LEU C C 101 178.913 178.913 177.850 1.063 18817 1002 1 2 . 1 1 101 101 LEU CA C 101 56.911 56.911 58.456 -1.545 18817 1003 1 2 . 1 1 101 101 LEU CB C 101 40.296 40.296 41.642 -1.345 18817 1004 1 2 . 1 1 101 101 LEU H H 101 7.861 7.861 7.840 0.021 18817 1005 1 2 . 1 1 102 102 ASN N N 102 117.859 117.859 117.409 0.450 18817 1006 1 2 . 1 1 102 102 ASN C C 102 177.647 177.647 177.707 -0.060 18817 1007 1 2 . 1 1 102 102 ASN CA C 102 54.937 54.937 55.496 -0.559 18817 1008 1 2 . 1 1 102 102 ASN CB C 102 37.917 37.917 37.782 0.135 18817 1009 1 2 . 1 1 102 102 ASN H H 102 7.767 7.767 7.410 0.357 18817 1010 1 2 . 1 1 103 103 LEU N N 103 122.625 122.625 121.802 0.823 18817 1011 1 2 . 1 1 103 103 LEU C C 103 178.656 178.656 178.301 0.355 18817 1012 1 2 . 1 1 103 103 LEU CA C 103 57.339 57.339 58.397 -1.058 18817 1013 1 2 . 1 1 103 103 LEU CB C 103 40.726 40.726 41.985 -1.259 18817 1014 1 2 . 1 1 103 103 LEU H H 103 8.021 8.021 7.767 0.254 18817 1015 1 2 . 1 1 104 104 GLU N N 104 118.900 118.900 118.709 0.191 18817 1016 1 2 . 1 1 104 104 GLU C C 104 178.825 178.825 179.007 -0.182 18817 1017 1 2 . 1 1 104 104 GLU CA C 104 58.665 58.665 59.360 -0.695 18817 1018 1 2 . 1 1 104 104 GLU CB C 104 27.791 27.791 29.371 -1.580 18817 1019 1 2 . 1 1 104 104 GLU H H 104 8.267 8.267 7.784 0.483 18817 1020 1 2 . 1 1 105 105 GLU N N 105 119.025 119.025 120.003 -0.978 18817 1021 1 2 . 1 1 105 105 GLU C C 105 178.532 178.532 178.883 -0.351 18817 1022 1 2 . 1 1 105 105 GLU CA C 105 57.823 57.823 59.002 -1.179 18817 1023 1 2 . 1 1 105 105 GLU CB C 105 28.159 28.159 29.357 -1.198 18817 1024 1 2 . 1 1 105 105 GLU H H 105 8.079 8.079 7.597 0.482 18817 1025 1 2 . 1 1 106 106 SER N N 106 116.209 116.209 114.993 1.216 18817 1026 1 2 . 1 1 106 106 SER C C 106 175.406 175.406 176.168 -0.762 18817 1027 1 2 . 1 1 106 106 SER CA C 106 60.134 60.134 61.602 -1.468 18817 1028 1 2 . 1 1 106 106 SER CB C 106 62.748 62.748 63.215 -0.467 18817 1029 1 2 . 1 1 106 106 SER H H 106 7.942 7.942 8.428 -0.486 18817 1030 1 2 . 1 1 107 107 LYS N N 107 121.873 121.873 122.010 -0.137 18817 1031 1 2 . 1 1 107 107 LYS C C 107 177.217 177.217 178.257 -1.040 18817 1032 1 2 . 1 1 107 107 LYS CA C 107 59.017 59.017 59.126 -0.109 18817 1033 1 2 . 1 1 107 107 LYS CB C 107 31.428 31.428 32.023 -0.595 18817 1034 1 2 . 1 1 107 107 LYS H H 107 7.917 7.917 7.621 0.296 18817 1035 1 2 . 1 1 108 108 ALA N N 108 121.920 121.920 120.795 1.125 18817 1036 1 2 . 1 1 108 108 ALA C C 108 179.577 179.577 179.425 0.152 18817 1037 1 2 . 1 1 108 108 ALA CA C 108 54.338 54.338 54.955 -0.617 18817 1038 1 2 . 1 1 108 108 ALA CB C 108 17.570 17.570 18.542 -0.972 18817 1039 1 2 . 1 1 108 108 ALA H H 108 7.956 7.956 7.865 0.091 18817 1040 1 2 . 1 1 109 109 THR N N 109 114.512 114.512 114.758 -0.246 18817 1041 1 2 . 1 1 109 109 THR C C 109 176.373 176.373 176.671 -0.298 18817 1042 1 2 . 1 1 109 109 THR CA C 109 64.381 64.381 65.585 -1.204 18817 1043 1 2 . 1 1 109 109 THR CB C 109 68.652 68.652 68.933 -0.281 18817 1044 1 2 . 1 1 109 109 THR H H 109 7.844 7.844 7.599 0.245 18817 1045 1 2 . 1 1 110 110 ILE N N 110 122.486 122.486 122.077 0.409 18817 1046 1 2 . 1 1 110 110 ILE C C 110 177.059 177.059 177.253 -0.194 18817 1047 1 2 . 1 1 110 110 ILE CA C 110 64.071 64.071 64.418 -0.347 18817 1048 1 2 . 1 1 110 110 ILE CB C 110 36.915 36.915 38.018 -1.103 18817 1049 1 2 . 1 1 110 110 ILE H H 110 8.000 8.000 8.398 -0.398 18817 1050 1 2 . 1 1 111 111 HIS N N 111 118.524 118.524 118.411 0.113 18817 1051 1 2 . 1 1 111 111 HIS C C 111 176.567 176.567 177.730 -1.163 18817 1052 1 2 . 1 1 111 111 HIS CA C 111 58.118 58.118 58.902 -0.784 18817 1053 1 2 . 1 1 111 111 HIS CB C 111 28.153 28.153 29.781 -1.628 18817 1054 1 2 . 1 1 111 111 HIS H H 111 8.324 8.324 7.913 0.411 18817 1055 1 2 . 1 1 112 112 GLU N N 112 118.814 118.814 118.543 0.271 18817 1056 1 2 . 1 1 112 112 GLU C C 112 177.683 177.683 178.431 -0.748 18817 1057 1 2 . 1 1 112 112 GLU CA C 112 57.625 57.625 58.959 -1.334 18817 1058 1 2 . 1 1 112 112 GLU CB C 112 28.429 28.429 29.501 -1.072 18817 1059 1 2 . 1 1 112 112 GLU H H 112 8.110 8.110 8.109 0.001 18817 1060 1 2 . 1 1 113 113 ASN N N 113 117.915 117.915 118.650 -0.735 18817 1061 1 2 . 1 1 113 113 ASN C C 113 176.404 176.404 177.400 -0.996 18817 1062 1 2 . 1 1 113 113 ASN CA C 113 54.713 54.713 55.650 -0.937 18817 1063 1 2 . 1 1 113 113 ASN CB C 113 38.811 38.811 38.386 0.425 18817 1064 1 2 . 1 1 113 113 ASN H H 113 7.982 7.982 7.647 0.335 18817 1065 1 2 . 1 1 114 114 ILE N N 114 119.971 119.971 119.839 0.132 18817 1066 1 2 . 1 1 114 114 ILE C C 114 177.039 177.039 177.030 0.009 18817 1067 1 2 . 1 1 114 114 ILE CA C 114 63.324 63.324 63.084 0.240 18817 1068 1 2 . 1 1 114 114 ILE CB C 114 37.055 37.055 38.020 -0.965 18817 1069 1 2 . 1 1 114 114 ILE H H 114 8.041 8.041 7.251 0.790 18817 1070 1 2 . 1 1 115 115 GLY N N 115 108.864 108.864 106.520 2.344 18817 1071 1 2 . 1 1 115 115 GLY C C 115 175.204 175.204 175.440 -0.236 18817 1072 1 2 . 1 1 115 115 GLY CA C 115 45.868 45.868 46.436 -0.568 18817 1073 1 2 . 1 1 115 115 GLY H H 115 7.977 7.977 8.170 -0.193 18817 1074 1 2 . 1 1 116 116 ALA N N 116 123.570 123.570 123.870 -0.300 18817 1075 1 2 . 1 1 116 116 ALA HA H 116 4.254 4.254 4.164 0.090 18817 1076 1 2 . 1 1 116 116 ALA C C 116 178.382 178.382 177.019 1.363 18817 1077 1 2 . 1 1 116 116 ALA CA C 116 52.974 52.974 53.982 -1.008 18817 1078 1 2 . 1 1 116 116 ALA CB C 116 18.106 18.106 19.191 -1.085 18817 1079 1 2 . 1 1 116 116 ALA H H 116 7.818 7.818 7.419 0.399 18817 1080 1 2 . 1 1 117 117 ALA N N 117 120.751 120.751 119.042 1.709 18817 1081 1 2 . 1 1 117 117 ALA C C 117 178.099 178.099 176.161 1.938 18817 1082 1 2 . 1 1 117 117 ALA CA C 117 52.818 52.818 52.136 0.682 18817 1083 1 2 . 1 1 117 117 ALA CB C 117 18.130 18.130 19.181 -1.051 18817 1084 1 2 . 1 1 117 117 ALA H H 117 7.766 7.766 7.254 0.512 18817 1085 1 2 . 1 1 118 118 GLY N N 118 105.627 105.627 109.952 -4.325 18817 1086 1 2 . 1 1 118 118 GLY C C 118 174.144 174.144 173.065 1.079 18817 1087 1 2 . 1 1 118 118 GLY CA C 118 45.505 45.505 44.453 1.052 18817 1088 1 2 . 1 1 118 118 GLY H H 118 7.885 7.885 7.625 0.260 18817 1089 1 2 . 1 1 119 119 PHE N N 119 119.825 119.825 120.702 -0.877 18817 1090 1 2 . 1 1 119 119 PHE HA H 119 4.542 4.542 4.720 -0.178 18817 1091 1 2 . 1 1 119 119 PHE C C 119 175.543 175.543 175.455 0.088 18817 1092 1 2 . 1 1 119 119 PHE CA C 119 57.858 57.858 56.606 1.252 18817 1093 1 2 . 1 1 119 119 PHE CB C 119 38.866 38.866 39.196 -0.330 18817 1094 1 2 . 1 1 119 119 PHE H H 119 7.730 7.730 7.277 0.453 18817 1095 1 2 . 1 1 120 120 LYS N N 120 122.164 122.164 122.448 -0.284 18817 1096 1 2 . 1 1 120 120 LYS C C 120 175.748 175.748 175.103 0.645 18817 1097 1 2 . 1 1 120 120 LYS CA C 120 55.644 55.644 56.786 -1.142 18817 1098 1 2 . 1 1 120 120 LYS CB C 120 32.442 32.442 32.396 0.046 18817 1099 1 2 . 1 1 120 120 LYS H H 120 7.897 7.897 8.416 -0.519 18817 1100 1 2 . 1 1 121 121 MET N N 121 119.305 119.305 119.611 -0.306 18817 1101 1 2 . 1 1 121 121 MET HA H 121 4.481 4.481 4.723 -0.242 18817 1102 1 2 . 1 1 121 121 MET C C 121 175.641 175.641 175.094 0.547 18817 1103 1 2 . 1 1 121 121 MET CA C 121 54.851 54.851 54.514 0.337 18817 1104 1 2 . 1 1 121 121 MET CB C 121 32.855 32.855 35.601 -2.746 18817 1105 1 2 . 1 1 121 121 MET H H 121 7.937 7.937 8.214 -0.277 18817 1106 1 2 . 1 1 122 122 SER N N 122 117.184 117.184 117.550 -0.366 18817 1107 1 2 . 1 1 122 122 SER C C 122 173.619 173.619 173.476 0.143 18817 1108 1 2 . 1 1 122 122 SER CA C 122 57.625 57.625 57.443 0.182 18817 1109 1 2 . 1 1 122 122 SER CB C 122 62.847 62.847 62.887 -0.040 18817 1110 1 2 . 1 1 122 122 SER H H 122 8.052 8.052 8.258 -0.206 18817 1111 1 3 . 1 1 2 2 SER C C 2 172.027 172.027 175.589 -3.562 18817 1112 1 3 . 1 1 2 2 SER CA C 2 56.474 56.474 58.105 -1.631 18817 1113 1 3 . 1 1 2 2 SER CB C 2 63.484 63.484 64.690 -1.206 18817 1114 1 3 . 1 1 3 3 THR N N 3 119.004 119.004 120.726 -1.722 18817 1115 1 3 . 1 1 3 3 THR C C 3 175.867 175.867 176.356 -0.489 18817 1116 1 3 . 1 1 3 3 THR CA C 3 65.068 65.068 64.810 0.258 18817 1117 1 3 . 1 1 3 3 THR CB C 3 68.441 68.441 69.071 -0.630 18817 1118 1 3 . 1 1 3 3 THR H H 3 8.964 8.964 8.956 0.008 18817 1119 1 3 . 1 1 4 4 LEU N N 4 121.518 121.518 120.553 0.965 18817 1120 1 3 . 1 1 4 4 LEU C C 4 178.886 178.886 179.146 -0.260 18817 1121 1 3 . 1 1 4 4 LEU CA C 4 57.246 57.246 57.875 -0.629 18817 1122 1 3 . 1 1 4 4 LEU CB C 4 40.645 40.645 40.624 0.021 18817 1123 1 3 . 1 1 4 4 LEU H H 4 8.487 8.487 8.149 0.338 18817 1124 1 3 . 1 1 5 5 SER N N 5 117.162 117.162 114.999 2.163 18817 1125 1 3 . 1 1 5 5 SER C C 5 176.676 176.676 176.961 -0.285 18817 1126 1 3 . 1 1 5 5 SER CA C 5 60.827 60.827 61.316 -0.489 18817 1127 1 3 . 1 1 5 5 SER CB C 5 61.776 61.776 62.854 -1.078 18817 1128 1 3 . 1 1 5 5 SER H H 5 8.289 8.289 8.216 0.073 18817 1129 1 3 . 1 1 6 6 ASN N N 6 122.387 122.387 120.904 1.483 18817 1130 1 3 . 1 1 6 6 ASN HA H 6 4.230 4.230 4.509 -0.279 18817 1131 1 3 . 1 1 6 6 ASN C C 6 177.833 177.833 177.896 -0.063 18817 1132 1 3 . 1 1 6 6 ASN CA C 6 55.400 55.400 56.804 -1.404 18817 1133 1 3 . 1 1 6 6 ASN CB C 6 37.348 37.348 38.587 -1.239 18817 1134 1 3 . 1 1 6 6 ASN H H 6 8.160 8.160 7.639 0.521 18817 1135 1 3 . 1 1 7 7 PHE N N 7 121.724 121.724 118.305 3.419 18817 1136 1 3 . 1 1 7 7 PHE C C 7 177.171 177.171 177.752 -0.581 18817 1137 1 3 . 1 1 7 7 PHE CA C 7 60.731 60.731 60.909 -0.178 18817 1138 1 3 . 1 1 7 7 PHE CB C 7 38.693 38.693 38.469 0.224 18817 1139 1 3 . 1 1 7 7 PHE H H 7 8.254 8.254 8.922 -0.668 18817 1140 1 3 . 1 1 8 8 THR N N 8 113.736 113.736 115.689 -1.953 18817 1141 1 3 . 1 1 8 8 THR HA H 8 4.278 4.278 3.858 0.420 18817 1142 1 3 . 1 1 8 8 THR C C 8 176.016 176.016 176.802 -0.786 18817 1143 1 3 . 1 1 8 8 THR CA C 8 66.400 66.400 66.595 -0.195 18817 1144 1 3 . 1 1 8 8 THR CB C 8 67.084 67.084 68.316 -1.232 18817 1145 1 3 . 1 1 8 8 THR H H 8 8.399 8.399 7.756 0.643 18817 1146 1 3 . 1 1 9 9 GLN N N 9 121.349 121.349 121.696 -0.347 18817 1147 1 3 . 1 1 9 9 GLN C C 9 178.464 178.464 178.333 0.131 18817 1148 1 3 . 1 1 9 9 GLN CA C 9 58.448 58.448 59.522 -1.074 18817 1149 1 3 . 1 1 9 9 GLN CB C 9 27.564 27.564 28.650 -1.086 18817 1150 1 3 . 1 1 9 9 GLN H H 9 7.942 7.942 7.834 0.108 18817 1151 1 3 . 1 1 10 10 THR N N 10 117.451 117.451 117.640 -0.189 18817 1152 1 3 . 1 1 10 10 THR HA H 10 4.278 4.278 4.029 0.249 18817 1153 1 3 . 1 1 10 10 THR C C 10 176.380 176.380 176.911 -0.531 18817 1154 1 3 . 1 1 10 10 THR CA C 10 66.353 66.353 66.836 -0.483 18817 1155 1 3 . 1 1 10 10 THR CB C 10 67.910 67.910 68.597 -0.687 18817 1156 1 3 . 1 1 10 10 THR H H 10 7.767 7.767 7.596 0.171 18817 1157 1 3 . 1 1 11 11 LEU N N 11 121.448 121.448 122.001 -0.553 18817 1158 1 3 . 1 1 11 11 LEU C C 11 178.255 178.255 178.912 -0.657 18817 1159 1 3 . 1 1 11 11 LEU CA C 11 57.614 57.614 58.330 -0.716 18817 1160 1 3 . 1 1 11 11 LEU CB C 11 40.574 40.574 41.137 -0.563 18817 1161 1 3 . 1 1 11 11 LEU H H 11 7.958 7.958 8.594 -0.636 18817 1162 1 3 . 1 1 12 12 GLU N N 12 117.911 117.911 119.405 -1.494 18817 1163 1 3 . 1 1 12 12 GLU C C 12 177.809 177.809 178.905 -1.096 18817 1164 1 3 . 1 1 12 12 GLU CA C 12 59.675 59.675 59.889 -0.214 18817 1165 1 3 . 1 1 12 12 GLU CB C 12 27.358 27.358 29.421 -2.063 18817 1166 1 3 . 1 1 12 12 GLU H H 12 8.206 8.206 8.453 -0.247 18817 1167 1 3 . 1 1 13 13 ASP C C 13 178.880 178.880 178.914 -0.034 18817 1168 1 3 . 1 1 13 13 ASP CA C 13 58.468 58.468 57.327 1.141 18817 1169 1 3 . 1 1 13 13 ASP CB C 13 40.613 40.613 40.575 0.038 18817 1170 1 3 . 1 1 14 14 VAL N N 14 118.703 118.703 119.550 -0.847 18817 1171 1 3 . 1 1 14 14 VAL C C 14 177.885 177.885 177.824 0.061 18817 1172 1 3 . 1 1 14 14 VAL CA C 14 66.212 66.212 65.775 0.437 18817 1173 1 3 . 1 1 14 14 VAL CB C 14 30.614 30.614 31.680 -1.066 18817 1174 1 3 . 1 1 14 14 VAL H H 14 8.943 8.943 8.004 0.939 18817 1175 1 3 . 1 1 15 15 PHE N N 15 118.897 118.897 120.905 -2.008 18817 1176 1 3 . 1 1 15 15 PHE C C 15 177.542 177.542 177.593 -0.051 18817 1177 1 3 . 1 1 15 15 PHE CA C 15 61.165 61.165 62.004 -0.839 18817 1178 1 3 . 1 1 15 15 PHE CB C 15 37.723 37.723 39.296 -1.573 18817 1179 1 3 . 1 1 15 15 PHE H H 15 8.379 8.379 8.367 0.012 18817 1180 1 3 . 1 1 16 16 ARG N N 16 119.285 119.285 119.713 -0.428 18817 1181 1 3 . 1 1 16 16 ARG C C 16 177.852 177.852 178.690 -0.838 18817 1182 1 3 . 1 1 16 16 ARG CA C 16 59.972 59.972 60.167 -0.195 18817 1183 1 3 . 1 1 16 16 ARG CB C 16 29.491 29.491 30.157 -0.666 18817 1184 1 3 . 1 1 16 16 ARG H H 16 8.455 8.455 9.009 -0.554 18817 1185 1 3 . 1 1 17 17 ARG N N 17 117.721 117.721 118.507 -0.786 18817 1186 1 3 . 1 1 17 17 ARG C C 17 179.606 179.606 178.950 0.656 18817 1187 1 3 . 1 1 17 17 ARG CA C 17 58.965 58.965 58.260 0.705 18817 1188 1 3 . 1 1 17 17 ARG CB C 17 29.220 29.220 30.031 -0.811 18817 1189 1 3 . 1 1 17 17 ARG H H 17 7.816 7.816 7.489 0.327 18817 1190 1 3 . 1 1 18 18 ILE N N 18 121.097 121.097 120.809 0.288 18817 1191 1 3 . 1 1 18 18 ILE C C 18 177.115 177.115 178.181 -1.066 18817 1192 1 3 . 1 1 18 18 ILE CA C 18 64.570 64.570 65.230 -0.660 18817 1193 1 3 . 1 1 18 18 ILE CB C 18 37.150 37.150 37.582 -0.432 18817 1194 1 3 . 1 1 18 18 ILE H H 18 8.180 8.180 8.342 -0.162 18817 1195 1 3 . 1 1 19 19 PHE N N 19 120.545 120.545 121.355 -0.810 18817 1196 1 3 . 1 1 19 19 PHE C C 19 177.154 177.154 177.298 -0.144 18817 1197 1 3 . 1 1 19 19 PHE CA C 19 61.665 61.665 62.899 -1.234 18817 1198 1 3 . 1 1 19 19 PHE CB C 19 38.609 38.609 39.375 -0.766 18817 1199 1 3 . 1 1 19 19 PHE H H 19 8.407 8.407 8.246 0.161 18817 1200 1 3 . 1 1 20 20 ILE N N 20 118.206 118.206 118.349 -0.143 18817 1201 1 3 . 1 1 20 20 ILE C C 20 177.915 177.915 178.625 -0.710 18817 1202 1 3 . 1 1 20 20 ILE CA C 20 63.965 63.965 64.083 -0.118 18817 1203 1 3 . 1 1 20 20 ILE CB C 20 36.828 36.828 36.602 0.226 18817 1204 1 3 . 1 1 20 20 ILE H H 20 8.350 8.350 7.838 0.512 18817 1205 1 3 . 1 1 21 21 THR N N 21 116.423 116.423 116.135 0.288 18817 1206 1 3 . 1 1 21 21 THR C C 21 176.419 176.419 176.509 -0.090 18817 1207 1 3 . 1 1 21 21 THR CA C 21 66.069 66.069 66.843 -0.774 18817 1208 1 3 . 1 1 21 21 THR CB C 21 68.168 68.168 69.070 -0.902 18817 1209 1 3 . 1 1 21 21 THR H H 21 7.692 7.692 8.375 -0.683 18817 1210 1 3 . 1 1 22 22 TYR N N 22 121.108 121.108 123.621 -2.513 18817 1211 1 3 . 1 1 22 22 TYR C C 22 177.398 177.398 177.344 0.054 18817 1212 1 3 . 1 1 22 22 TYR CA C 22 60.953 60.953 60.000 0.953 18817 1213 1 3 . 1 1 22 22 TYR CB C 22 37.643 37.643 37.762 -0.119 18817 1214 1 3 . 1 1 22 22 TYR H H 22 8.028 8.028 8.348 -0.320 18817 1215 1 3 . 1 1 23 23 MET N N 23 118.337 118.337 115.765 2.572 18817 1216 1 3 . 1 1 23 23 MET C C 23 178.156 178.156 177.879 0.277 18817 1217 1 3 . 1 1 23 23 MET CA C 23 57.078 57.078 58.871 -1.793 18817 1218 1 3 . 1 1 23 23 MET CB C 23 30.583 30.583 31.546 -0.963 18817 1219 1 3 . 1 1 23 23 MET H H 23 8.135 8.135 8.431 -0.296 18817 1220 1 3 . 1 1 24 24 ASP N N 24 118.883 118.883 119.723 -0.840 18817 1221 1 3 . 1 1 24 24 ASP C C 24 177.682 177.682 178.097 -0.415 18817 1222 1 3 . 1 1 24 24 ASP CA C 24 56.222 56.222 57.062 -0.840 18817 1223 1 3 . 1 1 24 24 ASP CB C 24 39.820 39.820 40.702 -0.881 18817 1224 1 3 . 1 1 24 24 ASP H H 24 8.208 8.208 7.912 0.296 18817 1225 1 3 . 1 1 25 25 ASN N N 25 116.989 116.989 118.279 -1.290 18817 1226 1 3 . 1 1 25 25 ASN C C 25 176.452 176.452 178.099 -1.647 18817 1227 1 3 . 1 1 25 25 ASN CA C 25 54.859 54.859 56.279 -1.420 18817 1228 1 3 . 1 1 25 25 ASN CB C 25 38.679 38.679 38.777 -0.098 18817 1229 1 3 . 1 1 25 25 ASN H H 25 7.746 7.746 7.649 0.097 18817 1230 1 3 . 1 1 26 26 TRP N N 26 120.811 120.811 122.121 -1.310 18817 1231 1 3 . 1 1 26 26 TRP C C 26 177.694 177.694 177.665 0.029 18817 1232 1 3 . 1 1 26 26 TRP CA C 26 58.922 58.922 61.136 -2.215 18817 1233 1 3 . 1 1 26 26 TRP CB C 26 28.772 28.772 29.416 -0.644 18817 1234 1 3 . 1 1 26 26 TRP H H 26 7.951 7.951 7.638 0.313 18817 1235 1 3 . 1 1 27 27 ARG N N 27 119.926 119.926 118.865 1.061 18817 1236 1 3 . 1 1 27 27 ARG C C 27 177.355 177.355 178.034 -0.679 18817 1237 1 3 . 1 1 27 27 ARG CA C 27 57.844 57.844 58.612 -0.768 18817 1238 1 3 . 1 1 27 27 ARG CB C 27 29.249 29.249 29.373 -0.124 18817 1239 1 3 . 1 1 27 27 ARG H H 27 7.971 7.971 7.984 -0.013 18817 1240 1 3 . 1 1 28 28 GLN N N 28 118.022 118.022 116.046 1.976 18817 1241 1 3 . 1 1 28 28 GLN C C 28 176.547 176.547 177.759 -1.212 18817 1242 1 3 . 1 1 28 28 GLN CA C 28 56.751 56.751 58.219 -1.468 18817 1243 1 3 . 1 1 28 28 GLN CB C 28 28.167 28.167 28.569 -0.402 18817 1244 1 3 . 1 1 28 28 GLN H H 28 7.868 7.868 7.585 0.283 18817 1245 1 3 . 1 1 29 29 ASN N N 29 118.257 118.257 118.810 -0.553 18817 1246 1 3 . 1 1 29 29 ASN C C 29 175.576 175.576 177.115 -1.539 18817 1247 1 3 . 1 1 29 29 ASN CA C 29 53.311 53.311 55.021 -1.710 18817 1248 1 3 . 1 1 29 29 ASN CB C 29 38.530 38.530 39.348 -0.818 18817 1249 1 3 . 1 1 29 29 ASN H H 29 7.915 7.915 8.205 -0.290 18817 1250 1 3 . 1 1 30 30 THR N N 30 113.464 113.464 117.931 -4.467 18817 1251 1 3 . 1 1 30 30 THR HA H 30 4.348 4.348 3.675 0.673 18817 1252 1 3 . 1 1 30 30 THR C C 30 175.453 175.453 176.221 -0.768 18817 1253 1 3 . 1 1 30 30 THR CA C 30 62.528 62.528 67.356 -4.828 18817 1254 1 3 . 1 1 30 30 THR CB C 30 69.103 69.103 68.822 0.281 18817 1255 1 3 . 1 1 30 30 THR H H 30 7.840 7.840 8.309 -0.469 18817 1256 1 3 . 1 1 31 31 THR N N 31 116.868 116.868 117.414 -0.546 18817 1257 1 3 . 1 1 31 31 THR C C 31 175.450 175.450 175.912 -0.462 18817 1258 1 3 . 1 1 31 31 THR CA C 31 63.705 63.705 66.869 -3.164 18817 1259 1 3 . 1 1 31 31 THR CB C 31 69.132 69.132 68.382 0.750 18817 1260 1 3 . 1 1 31 31 THR H H 31 7.955 7.955 7.538 0.417 18817 1261 1 3 . 1 1 32 32 ALA N N 32 124.803 124.803 123.047 1.756 18817 1262 1 3 . 1 1 32 32 ALA C C 32 179.686 179.686 179.327 0.359 18817 1263 1 3 . 1 1 32 32 ALA CA C 32 53.748 53.748 54.793 -1.045 18817 1264 1 3 . 1 1 32 32 ALA CB C 32 17.669 17.669 17.934 -0.265 18817 1265 1 3 . 1 1 32 32 ALA H H 32 8.226 8.226 7.814 0.412 18817 1266 1 3 . 1 1 33 33 GLU N N 33 118.847 118.847 118.669 0.178 18817 1267 1 3 . 1 1 33 33 GLU C C 33 177.525 177.525 178.898 -1.373 18817 1268 1 3 . 1 1 33 33 GLU CA C 33 58.026 58.026 59.199 -1.173 18817 1269 1 3 . 1 1 33 33 GLU CB C 33 27.793 27.793 29.426 -1.633 18817 1270 1 3 . 1 1 33 33 GLU H H 33 8.153 8.153 7.496 0.657 18817 1271 1 3 . 1 1 34 34 GLN N N 34 119.840 119.840 118.016 1.824 18817 1272 1 3 . 1 1 34 34 GLN C C 34 177.628 177.628 178.705 -1.077 18817 1273 1 3 . 1 1 34 34 GLN CA C 34 57.976 57.976 59.249 -1.273 18817 1274 1 3 . 1 1 34 34 GLN CB C 34 27.786 27.786 28.522 -0.736 18817 1275 1 3 . 1 1 34 34 GLN H H 34 8.109 8.109 8.036 0.073 18817 1276 1 3 . 1 1 35 35 GLU N N 35 119.894 119.894 119.341 0.553 18817 1277 1 3 . 1 1 35 35 GLU C C 35 178.149 178.149 178.565 -0.416 18817 1278 1 3 . 1 1 35 35 GLU CA C 35 58.160 58.160 58.969 -0.809 18817 1279 1 3 . 1 1 35 35 GLU CB C 35 28.337 28.337 29.087 -0.750 18817 1280 1 3 . 1 1 35 35 GLU H H 35 8.170 8.170 7.928 0.242 18817 1281 1 3 . 1 1 36 36 ALA N N 36 123.045 123.045 122.553 0.492 18817 1282 1 3 . 1 1 36 36 ALA C C 36 179.303 179.303 179.593 -0.290 18817 1283 1 3 . 1 1 36 36 ALA CA C 36 53.615 53.615 54.788 -1.173 18817 1284 1 3 . 1 1 36 36 ALA CB C 36 17.788 17.788 18.346 -0.558 18817 1285 1 3 . 1 1 36 36 ALA H H 36 7.884 7.884 7.663 0.221 18817 1286 1 3 . 1 1 37 37 LEU N N 37 119.469 119.469 119.478 -0.009 18817 1287 1 3 . 1 1 37 37 LEU C C 37 178.226 178.226 178.581 -0.355 18817 1288 1 3 . 1 1 37 37 LEU CA C 37 56.671 56.671 57.858 -1.187 18817 1289 1 3 . 1 1 37 37 LEU CB C 37 40.965 40.965 42.123 -1.158 18817 1290 1 3 . 1 1 37 37 LEU H H 37 7.907 7.907 7.876 0.031 18817 1291 1 3 . 1 1 38 38 GLN N N 38 118.655 118.655 119.257 -0.602 18817 1292 1 3 . 1 1 38 38 GLN C C 38 176.775 176.775 177.718 -0.943 18817 1293 1 3 . 1 1 38 38 GLN CA C 38 57.420 57.420 58.133 -0.713 18817 1294 1 3 . 1 1 38 38 GLN CB C 38 28.042 28.042 28.001 0.041 18817 1295 1 3 . 1 1 38 38 GLN H H 38 8.097 8.097 8.316 -0.219 18817 1296 1 3 . 1 1 39 39 ALA N N 39 121.284 121.284 123.075 -1.791 18817 1297 1 3 . 1 1 39 39 ALA C C 39 178.516 178.516 179.069 -0.553 18817 1298 1 3 . 1 1 39 39 ALA CA C 39 53.221 53.221 54.459 -1.238 18817 1299 1 3 . 1 1 39 39 ALA CB C 39 18.032 18.032 19.144 -1.112 18817 1300 1 3 . 1 1 39 39 ALA H H 39 7.724 7.724 8.114 -0.390 18817 1301 1 3 . 1 1 40 40 LYS N N 40 118.343 118.343 114.650 3.693 18817 1302 1 3 . 1 1 40 40 LYS C C 40 176.835 176.835 177.401 -0.566 18817 1303 1 3 . 1 1 40 40 LYS CA C 40 56.436 56.436 55.230 1.206 18817 1304 1 3 . 1 1 40 40 LYS CB C 40 32.005 32.005 33.393 -1.388 18817 1305 1 3 . 1 1 40 40 LYS H H 40 7.702 7.702 7.555 0.147 18817 1306 1 3 . 1 1 41 41 VAL N N 41 118.825 118.825 122.482 -3.657 18817 1307 1 3 . 1 1 41 41 VAL C C 41 175.383 175.383 174.571 0.812 18817 1308 1 3 . 1 1 41 41 VAL CA C 41 62.305 62.305 63.455 -1.150 18817 1309 1 3 . 1 1 41 41 VAL CB C 41 31.695 31.695 30.398 1.297 18817 1310 1 3 . 1 1 41 41 VAL H H 41 7.723 7.723 8.341 -0.618 18817 1311 1 3 . 1 1 42 42 ASP N N 42 122.980 122.980 118.617 4.363 18817 1312 1 3 . 1 1 42 42 ASP HA H 42 4.323 4.323 4.239 0.084 18817 1313 1 3 . 1 1 42 42 ASP C C 42 176.128 176.128 175.475 0.653 18817 1314 1 3 . 1 1 42 42 ASP CA C 42 53.641 53.641 55.348 -1.707 18817 1315 1 3 . 1 1 42 42 ASP CB C 42 40.281 40.281 40.877 -0.596 18817 1316 1 3 . 1 1 42 42 ASP H H 42 8.229 8.229 8.394 -0.165 18817 1317 1 3 . 1 1 43 43 ALA N N 43 123.146 123.146 123.968 -0.822 18817 1318 1 3 . 1 1 43 43 ALA C C 43 178.308 178.308 178.388 -0.080 18817 1319 1 3 . 1 1 43 43 ALA CA C 43 53.366 53.366 53.698 -0.332 18817 1320 1 3 . 1 1 43 43 ALA CB C 43 18.215 18.215 19.212 -0.997 18817 1321 1 3 . 1 1 43 43 ALA H H 43 8.095 8.095 7.981 0.114 18817 1322 1 3 . 1 1 44 44 GLU N N 44 117.625 117.625 118.387 -0.762 18817 1323 1 3 . 1 1 44 44 GLU C C 44 176.974 176.974 176.955 0.019 18817 1324 1 3 . 1 1 44 44 GLU CA C 44 57.011 57.011 57.907 -0.896 18817 1325 1 3 . 1 1 44 44 GLU CB C 44 28.434 28.434 29.853 -1.419 18817 1326 1 3 . 1 1 44 44 GLU H H 44 8.173 8.173 8.294 -0.121 18817 1327 1 3 . 1 1 45 45 ASN N N 45 117.214 117.214 111.768 5.446 18817 1328 1 3 . 1 1 45 45 ASN C C 45 176.652 176.652 176.148 0.504 18817 1329 1 3 . 1 1 45 45 ASN CA C 45 53.544 53.544 55.684 -2.140 18817 1330 1 3 . 1 1 45 45 ASN CB C 45 38.334 38.334 36.205 2.129 18817 1331 1 3 . 1 1 45 45 ASN H H 45 8.059 8.059 8.402 -0.343 18817 1332 1 3 . 1 1 46 46 PHE N N 46 120.987 120.987 120.536 0.451 18817 1333 1 3 . 1 1 46 46 PHE C C 46 176.975 176.975 177.455 -0.480 18817 1334 1 3 . 1 1 46 46 PHE CA C 46 60.113 60.113 61.869 -1.756 18817 1335 1 3 . 1 1 46 46 PHE CB C 46 38.290 38.290 38.878 -0.588 18817 1336 1 3 . 1 1 46 46 PHE H H 46 8.163 8.163 8.363 -0.200 18817 1337 1 3 . 1 1 47 47 TYR N N 47 116.519 116.519 117.555 -1.036 18817 1338 1 3 . 1 1 47 47 TYR C C 47 176.063 176.063 177.753 -1.690 18817 1339 1 3 . 1 1 47 47 TYR CA C 47 60.569 60.569 61.603 -1.034 18817 1340 1 3 . 1 1 47 47 TYR CB C 47 36.886 36.886 38.053 -1.167 18817 1341 1 3 . 1 1 47 47 TYR H H 47 7.417 7.417 8.681 -1.264 18817 1342 1 3 . 1 1 48 48 TYR N N 48 116.519 116.519 120.751 -4.232 18817 1343 1 3 . 1 1 48 48 TYR C C 48 177.063 177.063 177.541 -0.478 18817 1344 1 3 . 1 1 48 48 TYR CA C 48 60.569 60.569 62.117 -1.548 18817 1345 1 3 . 1 1 48 48 TYR CB C 48 36.886 36.886 38.986 -2.100 18817 1346 1 3 . 1 1 48 48 TYR H H 48 7.417 7.417 7.877 -0.460 18817 1347 1 3 . 1 1 49 49 VAL N N 49 118.292 118.292 118.448 -0.156 18817 1348 1 3 . 1 1 49 49 VAL C C 49 177.154 177.154 177.760 -0.606 18817 1349 1 3 . 1 1 49 49 VAL CA C 49 66.194 66.194 66.206 -0.012 18817 1350 1 3 . 1 1 49 49 VAL CB C 49 30.389 30.389 31.625 -1.236 18817 1351 1 3 . 1 1 49 49 VAL H H 49 7.439 7.439 7.897 -0.458 18817 1352 1 3 . 1 1 50 50 ILE N N 50 117.581 117.581 120.798 -3.217 18817 1353 1 3 . 1 1 50 50 ILE C C 50 177.307 177.307 177.656 -0.349 18817 1354 1 3 . 1 1 50 50 ILE CA C 50 63.876 63.876 64.959 -1.083 18817 1355 1 3 . 1 1 50 50 ILE CB C 50 35.725 35.725 37.911 -2.186 18817 1356 1 3 . 1 1 50 50 ILE H H 50 7.491 7.491 8.006 -0.515 18817 1357 1 3 . 1 1 51 51 LEU N N 51 120.363 120.363 120.123 0.240 18817 1358 1 3 . 1 1 51 51 LEU C C 51 178.335 178.335 178.155 0.180 18817 1359 1 3 . 1 1 51 51 LEU CA C 51 58.042 58.042 58.131 -0.089 18817 1360 1 3 . 1 1 51 51 LEU CB C 51 40.550 40.550 41.736 -1.185 18817 1361 1 3 . 1 1 51 51 LEU H H 51 7.699 7.699 7.462 0.237 18817 1362 1 3 . 1 1 53 53 LEU C C 53 178.638 178.638 178.111 0.527 18817 1363 1 3 . 1 1 53 53 LEU CA C 53 57.795 57.795 58.027 -0.232 18817 1364 1 3 . 1 1 53 53 LEU CB C 53 40.796 40.796 42.061 -1.265 18817 1365 1 3 . 1 1 54 54 MET N N 54 117.957 117.957 118.955 -0.998 18817 1366 1 3 . 1 1 54 54 MET C C 54 178.471 178.471 178.044 0.427 18817 1367 1 3 . 1 1 54 54 MET CA C 54 58.432 58.432 57.642 0.790 18817 1368 1 3 . 1 1 54 54 MET CB C 54 31.395 31.395 31.871 -0.476 18817 1369 1 3 . 1 1 54 54 MET H H 54 8.396 8.396 7.605 0.791 18817 1370 1 3 . 1 1 56 56 MET C C 56 177.895 177.895 177.760 0.135 18817 1371 1 3 . 1 1 56 56 MET CA C 56 58.793 58.793 59.131 -0.338 18817 1372 1 3 . 1 1 57 57 ILE N N 57 119.111 119.111 119.320 -0.209 18817 1373 1 3 . 1 1 57 57 ILE C C 57 179.504 179.504 177.948 1.556 18817 1374 1 3 . 1 1 57 57 ILE CA C 57 64.890 64.890 64.657 0.232 18817 1375 1 3 . 1 1 57 57 ILE CB C 57 36.497 36.497 38.014 -1.517 18817 1376 1 3 . 1 1 57 57 ILE H H 57 8.556 8.556 8.028 0.528 18817 1377 1 3 . 1 1 58 58 GLY N N 58 111.097 111.097 107.015 4.082 18817 1378 1 3 . 1 1 58 58 GLY C C 58 174.211 174.211 176.234 -2.023 18817 1379 1 3 . 1 1 58 58 GLY CA C 58 47.038 47.038 47.207 -0.169 18817 1380 1 3 . 1 1 58 58 GLY H H 58 8.745 8.745 7.913 0.832 18817 1381 1 3 . 1 1 59 59 MET N N 59 120.903 120.903 121.817 -0.914 18817 1382 1 3 . 1 1 59 59 MET C C 59 178.075 178.075 178.097 -0.022 18817 1383 1 3 . 1 1 59 59 MET CA C 59 58.763 58.763 58.249 0.514 18817 1384 1 3 . 1 1 59 59 MET CB C 59 32.415 32.415 31.855 0.560 18817 1385 1 3 . 1 1 59 59 MET H H 59 8.612 8.612 7.646 0.966 18817 1386 1 3 . 1 1 60 60 PHE N N 60 117.888 117.888 119.170 -1.282 18817 1387 1 3 . 1 1 60 60 PHE C C 60 177.292 177.292 177.173 0.119 18817 1388 1 3 . 1 1 60 60 PHE CA C 60 60.486 60.486 62.370 -1.884 18817 1389 1 3 . 1 1 60 60 PHE CB C 60 38.213 38.213 38.796 -0.583 18817 1390 1 3 . 1 1 60 60 PHE H H 60 8.495 8.495 8.193 0.302 18817 1391 1 3 . 1 1 61 61 SER N N 61 115.530 115.530 115.905 -0.375 18817 1392 1 3 . 1 1 61 61 SER C C 61 175.141 175.141 176.441 -1.300 18817 1393 1 3 . 1 1 61 61 SER CA C 61 63.198 63.198 61.426 1.772 18817 1394 1 3 . 1 1 61 61 SER CB C 61 62.050 62.050 62.814 -0.764 18817 1395 1 3 . 1 1 61 61 SER H H 61 8.338 8.338 7.707 0.631 18817 1396 1 3 . 1 1 62 62 PHE N N 62 121.237 121.237 123.666 -2.429 18817 1397 1 3 . 1 1 62 62 PHE C C 62 176.761 176.761 177.260 -0.499 18817 1398 1 3 . 1 1 62 62 PHE CA C 62 60.791 60.791 60.961 -0.170 18817 1399 1 3 . 1 1 62 62 PHE CB C 62 38.124 38.124 39.201 -1.077 18817 1400 1 3 . 1 1 62 62 PHE H H 62 8.077 8.077 8.451 -0.374 18817 1401 1 3 . 1 1 64 64 ILE N N 64 118.608 118.608 120.172 -1.564 18817 1402 1 3 . 1 1 64 64 ILE C C 64 177.805 177.805 178.062 -0.257 18817 1403 1 3 . 1 1 64 64 ILE CA C 64 64.465 64.465 64.764 -0.299 18817 1404 1 3 . 1 1 64 64 ILE CB C 64 35.984 35.984 37.177 -1.193 18817 1405 1 3 . 1 1 64 64 ILE H H 64 7.956 7.956 7.305 0.651 18817 1406 1 3 . 1 1 65 65 VAL N N 65 119.395 119.395 119.966 -0.571 18817 1407 1 3 . 1 1 65 65 VAL C C 65 177.045 177.045 176.905 0.140 18817 1408 1 3 . 1 1 65 65 VAL CA C 65 66.773 66.773 65.530 1.243 18817 1409 1 3 . 1 1 65 65 VAL CB C 65 30.099 30.099 31.746 -1.647 18817 1410 1 3 . 1 1 65 65 VAL H H 65 8.137 8.137 8.486 -0.349 18817 1411 1 3 . 1 1 67 67 ILE C C 67 179.153 179.153 177.406 1.747 18817 1412 1 3 . 1 1 67 67 ILE CA C 67 64.933 64.933 64.076 0.857 18817 1413 1 3 . 1 1 67 67 ILE CB C 67 36.977 36.977 37.756 -0.779 18817 1414 1 3 . 1 1 68 68 LEU N N 68 123.998 123.998 122.710 1.288 18817 1415 1 3 . 1 1 68 68 LEU HA H 68 4.301 4.301 4.074 0.227 18817 1416 1 3 . 1 1 68 68 LEU CA C 68 58.529 58.529 58.432 0.097 18817 1417 1 3 . 1 1 68 68 LEU CB C 68 40.768 40.768 42.135 -1.367 18817 1418 1 3 . 1 1 68 68 LEU H H 68 8.540 8.540 7.636 0.904 18817 1419 1 3 . 1 1 69 69 VAL N N 69 120.584 120.584 114.578 6.006 18817 1420 1 3 . 1 1 69 69 VAL C C 69 177.859 177.859 177.720 0.139 18817 1421 1 3 . 1 1 69 69 VAL CA C 69 65.949 65.949 66.478 -0.529 18817 1422 1 3 . 1 1 69 69 VAL CB C 69 30.847 30.847 31.044 -0.198 18817 1423 1 3 . 1 1 69 69 VAL H H 69 8.173 8.173 8.175 -0.002 18817 1424 1 3 . 1 1 70 70 SER N N 70 114.121 114.121 116.162 -2.041 18817 1425 1 3 . 1 1 70 70 SER CA C 70 61.630 61.630 61.672 -0.042 18817 1426 1 3 . 1 1 70 70 SER CB C 70 62.527 62.527 63.233 -0.707 18817 1427 1 3 . 1 1 70 70 SER H H 70 7.898 7.898 7.804 0.094 18817 1428 1 3 . 1 1 71 71 THR HA H 71 4.300 4.300 4.063 0.237 18817 1429 1 3 . 1 1 71 71 THR C C 71 176.381 176.381 176.527 -0.146 18817 1430 1 3 . 1 1 71 71 THR CA C 71 65.981 65.981 65.511 0.470 18817 1431 1 3 . 1 1 71 71 THR CB C 71 68.416 68.416 68.486 -0.070 18817 1432 1 3 . 1 1 72 72 VAL N N 72 121.958 121.958 122.552 -0.594 18817 1433 1 3 . 1 1 72 72 VAL C C 72 177.791 177.791 177.844 -0.053 18817 1434 1 3 . 1 1 72 72 VAL CA C 72 65.532 65.532 65.490 0.041 18817 1435 1 3 . 1 1 72 72 VAL CB C 72 30.882 30.882 31.180 -0.298 18817 1436 1 3 . 1 1 72 72 VAL H H 72 8.092 8.092 7.972 0.120 18817 1437 1 3 . 1 1 73 73 LYS C C 73 178.310 178.310 179.487 -1.177 18817 1438 1 3 . 1 1 73 73 LYS CA C 73 58.279 58.279 58.882 -0.603 18817 1439 1 3 . 1 1 73 73 LYS CB C 73 31.350 31.350 32.210 -0.860 18817 1440 1 3 . 1 1 74 74 SER N N 74 114.589 114.589 116.105 -1.516 18817 1441 1 3 . 1 1 74 74 SER C C 74 175.895 175.895 176.208 -0.313 18817 1442 1 3 . 1 1 74 74 SER CA C 74 59.979 59.979 61.648 -1.669 18817 1443 1 3 . 1 1 74 74 SER CB C 74 62.823 62.823 62.395 0.428 18817 1444 1 3 . 1 1 74 74 SER H H 74 7.816 7.816 8.428 -0.612 18817 1445 1 3 . 1 1 75 75 LYS N N 75 121.984 121.984 121.470 0.514 18817 1446 1 3 . 1 1 75 75 LYS C C 75 177.649 177.649 178.274 -0.625 18817 1447 1 3 . 1 1 75 75 LYS CA C 75 56.892 56.892 58.639 -1.747 18817 1448 1 3 . 1 1 75 75 LYS CB C 75 31.263 31.263 32.154 -0.891 18817 1449 1 3 . 1 1 75 75 LYS H H 75 7.964 7.964 7.338 0.626 18817 1450 1 3 . 1 1 76 76 ARG N N 76 119.656 119.656 118.945 0.711 18817 1451 1 3 . 1 1 76 76 ARG C C 76 177.010 177.010 178.266 -1.256 18817 1452 1 3 . 1 1 76 76 ARG CA C 76 56.671 56.671 58.691 -2.020 18817 1453 1 3 . 1 1 76 76 ARG CB C 76 29.471 29.471 30.117 -0.646 18817 1454 1 3 . 1 1 76 76 ARG H H 76 7.909 7.909 7.467 0.442 18817 1455 1 3 . 1 1 77 77 ARG N N 77 120.815 120.815 116.718 4.097 18817 1456 1 3 . 1 1 77 77 ARG C C 77 176.633 176.633 176.158 0.475 18817 1457 1 3 . 1 1 77 77 ARG CA C 77 56.355 56.355 56.163 0.192 18817 1458 1 3 . 1 1 77 77 ARG CB C 77 29.718 29.718 30.173 -0.455 18817 1459 1 3 . 1 1 77 77 ARG H H 77 7.860 7.860 7.636 0.224 18817 1460 1 3 . 1 1 78 78 GLU N N 78 120.635 120.635 117.314 3.321 18817 1461 1 3 . 1 1 78 78 GLU C C 78 176.320 176.320 175.779 0.541 18817 1462 1 3 . 1 1 78 78 GLU CA C 78 56.368 56.368 57.131 -0.763 18817 1463 1 3 . 1 1 78 78 GLU CB C 78 29.083 29.083 27.857 1.226 18817 1464 1 3 . 1 1 78 78 GLU H H 78 8.119 8.119 7.854 0.265 18817 1465 1 3 . 1 1 79 79 HIS N N 79 117.659 117.659 115.191 2.468 18817 1466 1 3 . 1 1 79 79 HIS C C 79 174.583 174.583 174.810 -0.227 18817 1467 1 3 . 1 1 79 79 HIS CA C 79 54.918 54.918 56.934 -2.015 18817 1468 1 3 . 1 1 79 79 HIS CB C 79 28.249 28.249 29.377 -1.128 18817 1469 1 3 . 1 1 79 79 HIS H H 79 8.042 8.042 8.175 -0.133 18817 1470 1 3 . 1 1 80 80 SER N N 80 116.920 116.920 115.945 0.975 18817 1471 1 3 . 1 1 80 80 SER C C 80 174.323 174.323 173.917 0.406 18817 1472 1 3 . 1 1 80 80 SER CA C 80 58.377 58.377 58.734 -0.357 18817 1473 1 3 . 1 1 80 80 SER CB C 80 63.113 63.113 63.775 -0.662 18817 1474 1 3 . 1 1 80 80 SER H H 80 8.151 8.151 8.808 -0.657 18817 1475 1 3 . 1 1 81 81 ASN N N 81 120.963 120.963 118.168 2.795 18817 1476 1 3 . 1 1 81 81 ASN C C 81 174.436 174.436 173.755 0.681 18817 1477 1 3 . 1 1 81 81 ASN CA C 81 52.945 52.945 53.413 -0.467 18817 1478 1 3 . 1 1 81 81 ASN CB C 81 38.324 38.324 39.140 -0.816 18817 1479 1 3 . 1 1 81 81 ASN H H 81 8.411 8.411 8.029 0.382 18817 1480 1 3 . 1 1 83 83 PRO C C 83 176.072 176.072 175.683 0.389 18817 1481 1 3 . 1 1 83 83 PRO CA C 83 62.420 62.420 63.041 -0.621 18817 1482 1 3 . 1 1 83 83 PRO CB C 83 33.212 33.212 32.404 0.808 18817 1483 1 3 . 1 1 84 84 TYR N N 84 124.146 124.146 121.260 2.886 18817 1484 1 3 . 1 1 84 84 TYR C C 84 176.670 176.670 175.873 0.797 18817 1485 1 3 . 1 1 84 84 TYR CA C 84 55.352 55.352 58.160 -2.808 18817 1486 1 3 . 1 1 84 84 TYR CB C 84 40.958 40.958 40.989 -0.031 18817 1487 1 3 . 1 1 84 84 TYR H H 84 8.487 8.487 8.308 0.179 18817 1488 1 3 . 1 1 86 86 GLN C C 86 177.884 177.884 176.183 1.701 18817 1489 1 3 . 1 1 86 86 GLN CA C 86 59.593 59.593 57.968 1.625 18817 1490 1 3 . 1 1 86 86 GLN CB C 86 27.335 27.335 28.643 -1.308 18817 1491 1 3 . 1 1 87 87 TYR N N 87 119.339 119.339 115.222 4.117 18817 1492 1 3 . 1 1 87 87 TYR C C 87 178.922 178.922 176.772 2.150 18817 1493 1 3 . 1 1 87 87 TYR CA C 87 57.225 57.225 59.342 -2.117 18817 1494 1 3 . 1 1 87 87 TYR CB C 87 40.155 40.155 39.772 0.383 18817 1495 1 3 . 1 1 87 87 TYR H H 87 7.981 7.981 8.263 -0.282 18817 1496 1 3 . 1 1 88 88 ILE C C 88 175.951 175.951 177.549 -1.598 18817 1497 1 3 . 1 1 89 89 VAL N N 89 119.921 119.921 119.134 0.787 18817 1498 1 3 . 1 1 89 89 VAL C C 89 177.806 177.806 178.155 -0.349 18817 1499 1 3 . 1 1 89 89 VAL CA C 89 63.289 63.289 66.430 -3.140 18817 1500 1 3 . 1 1 89 89 VAL CB C 89 31.247 31.247 31.165 0.082 18817 1501 1 3 . 1 1 89 89 VAL H H 89 7.397 7.397 7.670 -0.273 18817 1502 1 3 . 1 1 90 90 GLU N N 90 119.266 119.266 120.051 -0.785 18817 1503 1 3 . 1 1 90 90 GLU C C 90 178.316 178.316 178.643 -0.327 18817 1504 1 3 . 1 1 90 90 GLU CA C 90 58.285 58.285 59.198 -0.913 18817 1505 1 3 . 1 1 90 90 GLU CB C 90 31.270 31.270 29.426 1.844 18817 1506 1 3 . 1 1 90 90 GLU H H 90 8.111 8.111 7.770 0.341 18817 1507 1 3 . 1 1 91 91 ASP C C 91 177.542 177.542 178.607 -1.065 18817 1508 1 3 . 1 1 91 91 ASP CA C 91 56.637 56.637 57.155 -0.518 18817 1509 1 3 . 1 1 91 91 ASP CB C 91 38.852 38.852 40.511 -1.659 18817 1510 1 3 . 1 1 92 92 TRP N N 92 120.874 120.874 121.244 -0.370 18817 1511 1 3 . 1 1 92 92 TRP C C 92 177.384 177.384 178.062 -0.678 18817 1512 1 3 . 1 1 92 92 TRP CA C 92 59.510 59.510 61.520 -2.010 18817 1513 1 3 . 1 1 92 92 TRP CB C 92 27.817 27.817 29.818 -2.001 18817 1514 1 3 . 1 1 92 92 TRP H H 92 7.852 7.852 7.942 -0.090 18817 1515 1 3 . 1 1 93 93 GLN N N 93 119.478 119.478 118.224 1.254 18817 1516 1 3 . 1 1 93 93 GLN C C 93 177.653 177.653 177.982 -0.329 18817 1517 1 3 . 1 1 93 93 GLN CA C 93 58.991 58.991 58.878 0.113 18817 1518 1 3 . 1 1 93 93 GLN CB C 93 27.205 27.205 28.026 -0.821 18817 1519 1 3 . 1 1 93 93 GLN H H 93 8.010 8.010 7.980 0.030 18817 1520 1 3 . 1 1 94 94 GLU N N 94 117.531 117.531 118.471 -0.940 18817 1521 1 3 . 1 1 94 94 GLU C C 94 178.798 178.798 179.056 -0.258 18817 1522 1 3 . 1 1 94 94 GLU CA C 94 57.794 57.794 58.874 -1.080 18817 1523 1 3 . 1 1 94 94 GLU CB C 94 28.816 28.816 29.452 -0.636 18817 1524 1 3 . 1 1 94 94 GLU H H 94 7.589 7.589 7.762 -0.173 18817 1525 1 3 . 1 1 95 95 LYS N N 95 119.905 119.905 120.350 -0.445 18817 1526 1 3 . 1 1 95 95 LYS C C 95 178.416 178.416 178.638 -0.222 18817 1527 1 3 . 1 1 95 95 LYS CA C 95 58.576 58.576 58.397 0.179 18817 1528 1 3 . 1 1 95 95 LYS CB C 95 32.120 32.120 32.404 -0.284 18817 1529 1 3 . 1 1 95 95 LYS H H 95 7.832 7.832 7.434 0.398 18817 1530 1 3 . 1 1 96 96 TYR N N 96 117.063 117.063 119.056 -1.993 18817 1531 1 3 . 1 1 96 96 TYR C C 96 176.535 176.535 176.558 -0.023 18817 1532 1 3 . 1 1 96 96 TYR CA C 96 58.804 58.804 60.830 -2.026 18817 1533 1 3 . 1 1 96 96 TYR CB C 96 37.106 37.106 38.507 -1.401 18817 1534 1 3 . 1 1 96 96 TYR H H 96 7.916 7.916 8.249 -0.333 18817 1535 1 3 . 1 1 97 97 LYS N N 97 120.781 120.781 118.256 2.525 18817 1536 1 3 . 1 1 97 97 LYS C C 97 178.281 178.281 178.283 -0.002 18817 1537 1 3 . 1 1 97 97 LYS CA C 97 59.605 59.605 59.257 0.348 18817 1538 1 3 . 1 1 97 97 LYS CB C 97 31.265 31.265 31.863 -0.598 18817 1539 1 3 . 1 1 97 97 LYS H H 97 7.610 7.610 7.399 0.211 18817 1540 1 3 . 1 1 98 98 SER N N 98 113.319 113.319 116.078 -2.759 18817 1541 1 3 . 1 1 98 98 SER C C 98 176.355 176.355 176.597 -0.242 18817 1542 1 3 . 1 1 98 98 SER CA C 98 60.840 60.840 61.203 -0.363 18817 1543 1 3 . 1 1 98 98 SER CB C 98 61.944 61.944 62.494 -0.550 18817 1544 1 3 . 1 1 98 98 SER H H 98 8.180 8.180 7.601 0.579 18817 1545 1 3 . 1 1 99 99 GLN N N 99 121.218 121.218 120.163 1.055 18817 1546 1 3 . 1 1 99 99 GLN C C 99 178.134 178.134 178.685 -0.551 18817 1547 1 3 . 1 1 99 99 GLN CA C 99 58.234 58.234 58.463 -0.229 18817 1548 1 3 . 1 1 99 99 GLN CB C 99 27.521 27.521 28.109 -0.588 18817 1549 1 3 . 1 1 99 99 GLN H H 99 7.822 7.822 7.448 0.374 18817 1550 1 3 . 1 1 100 100 ILE N N 100 119.936 119.936 119.687 0.249 18817 1551 1 3 . 1 1 100 100 ILE C C 100 177.443 177.443 178.349 -0.906 18817 1552 1 3 . 1 1 100 100 ILE CA C 100 63.808 63.808 63.295 0.513 18817 1553 1 3 . 1 1 100 100 ILE CB C 100 36.622 36.622 37.123 -0.500 18817 1554 1 3 . 1 1 100 100 ILE H H 100 7.992 7.992 7.184 0.808 18817 1555 1 3 . 1 1 101 101 LEU N N 101 120.350 120.350 121.563 -1.213 18817 1556 1 3 . 1 1 101 101 LEU C C 101 178.913 178.913 178.114 0.799 18817 1557 1 3 . 1 1 101 101 LEU CA C 101 56.911 56.911 58.643 -1.732 18817 1558 1 3 . 1 1 101 101 LEU CB C 101 40.296 40.296 41.704 -1.408 18817 1559 1 3 . 1 1 101 101 LEU H H 101 7.861 7.861 8.312 -0.451 18817 1560 1 3 . 1 1 102 102 ASN N N 102 117.859 117.859 116.998 0.861 18817 1561 1 3 . 1 1 102 102 ASN C C 102 177.647 177.647 177.737 -0.090 18817 1562 1 3 . 1 1 102 102 ASN CA C 102 54.937 54.937 56.111 -1.174 18817 1563 1 3 . 1 1 102 102 ASN CB C 102 37.917 37.917 37.994 -0.077 18817 1564 1 3 . 1 1 102 102 ASN H H 102 7.767 7.767 7.733 0.034 18817 1565 1 3 . 1 1 103 103 LEU N N 103 122.625 122.625 120.719 1.906 18817 1566 1 3 . 1 1 103 103 LEU C C 103 178.656 178.656 178.789 -0.133 18817 1567 1 3 . 1 1 103 103 LEU CA C 103 57.339 57.339 57.300 0.039 18817 1568 1 3 . 1 1 103 103 LEU CB C 103 40.726 40.726 41.016 -0.290 18817 1569 1 3 . 1 1 103 103 LEU H H 103 8.021 8.021 7.349 0.672 18817 1570 1 3 . 1 1 104 104 GLU N N 104 118.900 118.900 118.781 0.119 18817 1571 1 3 . 1 1 104 104 GLU C C 104 178.825 178.825 179.311 -0.486 18817 1572 1 3 . 1 1 104 104 GLU CA C 104 58.665 58.665 59.560 -0.895 18817 1573 1 3 . 1 1 104 104 GLU CB C 104 27.791 27.791 28.905 -1.114 18817 1574 1 3 . 1 1 104 104 GLU H H 104 8.267 8.267 7.750 0.517 18817 1575 1 3 . 1 1 105 105 GLU N N 105 119.025 119.025 118.948 0.077 18817 1576 1 3 . 1 1 105 105 GLU C C 105 178.532 178.532 179.179 -0.647 18817 1577 1 3 . 1 1 105 105 GLU CA C 105 57.823 57.823 59.235 -1.412 18817 1578 1 3 . 1 1 105 105 GLU CB C 105 28.159 28.159 29.282 -1.123 18817 1579 1 3 . 1 1 105 105 GLU H H 105 8.079 8.079 7.868 0.211 18817 1580 1 3 . 1 1 106 106 SER N N 106 116.209 116.209 115.604 0.605 18817 1581 1 3 . 1 1 106 106 SER C C 106 175.406 175.406 176.450 -1.044 18817 1582 1 3 . 1 1 106 106 SER CA C 106 60.134 60.134 61.471 -1.337 18817 1583 1 3 . 1 1 106 106 SER CB C 106 62.748 62.748 62.883 -0.135 18817 1584 1 3 . 1 1 106 106 SER H H 106 7.942 7.942 7.497 0.445 18817 1585 1 3 . 1 1 107 107 LYS N N 107 121.873 121.873 122.314 -0.441 18817 1586 1 3 . 1 1 107 107 LYS C C 107 177.217 177.217 178.654 -1.437 18817 1587 1 3 . 1 1 107 107 LYS CA C 107 59.017 59.017 59.013 0.004 18817 1588 1 3 . 1 1 107 107 LYS CB C 107 31.428 31.428 32.092 -0.664 18817 1589 1 3 . 1 1 107 107 LYS H H 107 7.917 7.917 7.639 0.278 18817 1590 1 3 . 1 1 108 108 ALA N N 108 121.920 121.920 119.989 1.931 18817 1591 1 3 . 1 1 108 108 ALA C C 108 179.577 179.577 179.459 0.118 18817 1592 1 3 . 1 1 108 108 ALA CA C 108 54.338 54.338 54.975 -0.637 18817 1593 1 3 . 1 1 108 108 ALA CB C 108 17.570 17.570 18.395 -0.825 18817 1594 1 3 . 1 1 108 108 ALA H H 108 7.956 7.956 7.534 0.422 18817 1595 1 3 . 1 1 109 109 THR N N 109 114.512 114.512 116.868 -2.356 18817 1596 1 3 . 1 1 109 109 THR C C 109 176.373 176.373 176.895 -0.522 18817 1597 1 3 . 1 1 109 109 THR CA C 109 64.381 64.381 67.019 -2.638 18817 1598 1 3 . 1 1 109 109 THR CB C 109 68.652 68.652 68.903 -0.251 18817 1599 1 3 . 1 1 109 109 THR H H 109 7.844 7.844 7.696 0.148 18817 1600 1 3 . 1 1 110 110 ILE N N 110 122.486 122.486 118.250 4.236 18817 1601 1 3 . 1 1 110 110 ILE C C 110 177.059 177.059 177.239 -0.180 18817 1602 1 3 . 1 1 110 110 ILE CA C 110 64.071 64.071 64.679 -0.608 18817 1603 1 3 . 1 1 110 110 ILE CB C 110 36.915 36.915 37.676 -0.761 18817 1604 1 3 . 1 1 110 110 ILE H H 110 8.000 8.000 8.298 -0.298 18817 1605 1 3 . 1 1 111 111 HIS N N 111 118.524 118.524 120.159 -1.635 18817 1606 1 3 . 1 1 111 111 HIS C C 111 176.567 176.567 177.426 -0.859 18817 1607 1 3 . 1 1 111 111 HIS CA C 111 58.118 58.118 60.190 -2.072 18817 1608 1 3 . 1 1 111 111 HIS CB C 111 28.153 28.153 29.939 -1.786 18817 1609 1 3 . 1 1 111 111 HIS H H 111 8.324 8.324 7.746 0.578 18817 1610 1 3 . 1 1 112 112 GLU N N 112 118.814 118.814 117.705 1.109 18817 1611 1 3 . 1 1 112 112 GLU C C 112 177.683 177.683 178.535 -0.852 18817 1612 1 3 . 1 1 112 112 GLU CA C 112 57.625 57.625 58.781 -1.156 18817 1613 1 3 . 1 1 112 112 GLU CB C 112 28.429 28.429 29.359 -0.930 18817 1614 1 3 . 1 1 112 112 GLU H H 112 8.110 8.110 8.000 0.110 18817 1615 1 3 . 1 1 113 113 ASN N N 113 117.915 117.915 117.377 0.538 18817 1616 1 3 . 1 1 113 113 ASN C C 113 176.404 176.404 177.674 -1.270 18817 1617 1 3 . 1 1 113 113 ASN CA C 113 54.713 54.713 55.588 -0.875 18817 1618 1 3 . 1 1 113 113 ASN CB C 113 38.811 38.811 38.525 0.286 18817 1619 1 3 . 1 1 113 113 ASN H H 113 7.982 7.982 7.567 0.415 18817 1620 1 3 . 1 1 114 114 ILE N N 114 119.971 119.971 119.465 0.506 18817 1621 1 3 . 1 1 114 114 ILE C C 114 177.039 177.039 177.853 -0.814 18817 1622 1 3 . 1 1 114 114 ILE CA C 114 63.324 63.324 63.887 -0.563 18817 1623 1 3 . 1 1 114 114 ILE CB C 114 37.055 37.055 37.487 -0.432 18817 1624 1 3 . 1 1 114 114 ILE H H 114 8.041 8.041 7.263 0.778 18817 1625 1 3 . 1 1 115 115 GLY N N 115 108.864 108.864 107.692 1.172 18817 1626 1 3 . 1 1 115 115 GLY C C 115 175.204 175.204 175.452 -0.248 18817 1627 1 3 . 1 1 115 115 GLY CA C 115 45.868 45.868 46.914 -1.046 18817 1628 1 3 . 1 1 115 115 GLY H H 115 7.977 7.977 7.671 0.306 18817 1629 1 3 . 1 1 116 116 ALA N N 116 123.570 123.570 124.955 -1.385 18817 1630 1 3 . 1 1 116 116 ALA HA H 116 4.254 4.254 4.352 -0.098 18817 1631 1 3 . 1 1 116 116 ALA C C 116 178.382 178.382 179.408 -1.026 18817 1632 1 3 . 1 1 116 116 ALA CA C 116 52.974 52.974 53.657 -0.683 18817 1633 1 3 . 1 1 116 116 ALA CB C 116 18.106 18.106 18.412 -0.306 18817 1634 1 3 . 1 1 116 116 ALA H H 116 7.818 7.818 7.662 0.156 18817 1635 1 3 . 1 1 117 117 ALA N N 117 120.751 120.751 121.846 -1.095 18817 1636 1 3 . 1 1 117 117 ALA C C 117 178.099 178.099 178.032 0.067 18817 1637 1 3 . 1 1 117 117 ALA CA C 117 52.818 52.818 53.880 -1.062 18817 1638 1 3 . 1 1 117 117 ALA CB C 117 18.130 18.130 18.486 -0.356 18817 1639 1 3 . 1 1 117 117 ALA H H 117 7.766 7.766 7.898 -0.132 18817 1640 1 3 . 1 1 118 118 GLY N N 118 105.627 105.627 105.661 -0.034 18817 1641 1 3 . 1 1 118 118 GLY C C 118 174.144 174.144 173.462 0.682 18817 1642 1 3 . 1 1 118 118 GLY CA C 118 45.505 45.505 45.208 0.297 18817 1643 1 3 . 1 1 118 118 GLY H H 118 7.885 7.885 7.657 0.228 18817 1644 1 3 . 1 1 119 119 PHE N N 119 119.825 119.825 121.533 -1.708 18817 1645 1 3 . 1 1 119 119 PHE HA H 119 4.542 4.542 4.776 -0.234 18817 1646 1 3 . 1 1 119 119 PHE C C 119 175.543 175.543 173.969 1.574 18817 1647 1 3 . 1 1 119 119 PHE CA C 119 57.858 57.858 57.910 -0.051 18817 1648 1 3 . 1 1 119 119 PHE CB C 119 38.866 38.866 39.752 -0.886 18817 1649 1 3 . 1 1 119 119 PHE H H 119 7.730 7.730 7.843 -0.113 18817 1650 1 3 . 1 1 120 120 LYS N N 120 122.164 122.164 124.817 -2.653 18817 1651 1 3 . 1 1 120 120 LYS C C 120 175.748 175.748 175.738 0.010 18817 1652 1 3 . 1 1 120 120 LYS CA C 120 55.644 55.644 56.302 -0.658 18817 1653 1 3 . 1 1 120 120 LYS CB C 120 32.442 32.442 32.841 -0.399 18817 1654 1 3 . 1 1 120 120 LYS H H 120 7.897 7.897 8.122 -0.225 18817 1655 1 3 . 1 1 121 121 MET N N 121 119.305 119.305 121.132 -1.827 18817 1656 1 3 . 1 1 121 121 MET HA H 121 4.481 4.481 4.518 -0.037 18817 1657 1 3 . 1 1 121 121 MET C C 121 175.641 175.641 176.086 -0.445 18817 1658 1 3 . 1 1 121 121 MET CA C 121 54.851 54.851 55.736 -0.885 18817 1659 1 3 . 1 1 121 121 MET CB C 121 32.855 32.855 33.035 -0.180 18817 1660 1 3 . 1 1 121 121 MET H H 121 7.937 7.937 7.710 0.227 18817 1661 1 3 . 1 1 122 122 SER N N 122 117.184 117.184 118.877 -1.693 18817 1662 1 3 . 1 1 122 122 SER C C 122 173.619 173.619 172.818 0.801 18817 1663 1 3 . 1 1 122 122 SER CA C 122 57.625 57.625 57.363 0.262 18817 1664 1 3 . 1 1 122 122 SER CB C 122 62.847 62.847 62.956 -0.109 18817 1665 1 3 . 1 1 122 122 SER H H 122 8.052 8.052 8.602 -0.550 18817 1666 1 4 . 1 1 2 2 SER C C 2 172.027 172.027 175.129 -3.102 18817 1667 1 4 . 1 1 2 2 SER CA C 2 56.474 56.474 57.361 -0.887 18817 1668 1 4 . 1 1 2 2 SER CB C 2 63.484 63.484 66.667 -3.183 18817 1669 1 4 . 1 1 3 3 THR N N 3 119.004 119.004 115.987 3.017 18817 1670 1 4 . 1 1 3 3 THR C C 3 175.867 175.867 176.011 -0.144 18817 1671 1 4 . 1 1 3 3 THR CA C 3 65.068 65.068 64.759 0.309 18817 1672 1 4 . 1 1 3 3 THR CB C 3 68.441 68.441 68.762 -0.321 18817 1673 1 4 . 1 1 3 3 THR H H 3 8.964 8.964 8.624 0.340 18817 1674 1 4 . 1 1 4 4 LEU N N 4 121.518 121.518 120.802 0.716 18817 1675 1 4 . 1 1 4 4 LEU C C 4 178.886 178.886 178.924 -0.038 18817 1676 1 4 . 1 1 4 4 LEU CA C 4 57.246 57.246 57.647 -0.401 18817 1677 1 4 . 1 1 4 4 LEU CB C 4 40.645 40.645 41.603 -0.958 18817 1678 1 4 . 1 1 4 4 LEU H H 4 8.487 8.487 7.781 0.706 18817 1679 1 4 . 1 1 5 5 SER N N 5 117.162 117.162 114.851 2.311 18817 1680 1 4 . 1 1 5 5 SER C C 5 176.676 176.676 176.720 -0.044 18817 1681 1 4 . 1 1 5 5 SER CA C 5 60.827 60.827 61.622 -0.795 18817 1682 1 4 . 1 1 5 5 SER CB C 5 61.776 61.776 62.602 -0.826 18817 1683 1 4 . 1 1 5 5 SER H H 5 8.289 8.289 8.130 0.159 18817 1684 1 4 . 1 1 6 6 ASN N N 6 122.387 122.387 120.244 2.143 18817 1685 1 4 . 1 1 6 6 ASN HA H 6 4.230 4.230 4.466 -0.236 18817 1686 1 4 . 1 1 6 6 ASN C C 6 177.833 177.833 177.571 0.262 18817 1687 1 4 . 1 1 6 6 ASN CA C 6 55.400 55.400 56.530 -1.130 18817 1688 1 4 . 1 1 6 6 ASN CB C 6 37.348 37.348 38.345 -0.997 18817 1689 1 4 . 1 1 6 6 ASN H H 6 8.160 8.160 7.467 0.693 18817 1690 1 4 . 1 1 7 7 PHE N N 7 121.724 121.724 119.471 2.253 18817 1691 1 4 . 1 1 7 7 PHE C C 7 177.171 177.171 177.057 0.114 18817 1692 1 4 . 1 1 7 7 PHE CA C 7 60.731 60.731 61.896 -1.165 18817 1693 1 4 . 1 1 7 7 PHE CB C 7 38.693 38.693 39.245 -0.552 18817 1694 1 4 . 1 1 7 7 PHE H H 7 8.254 8.254 8.053 0.201 18817 1695 1 4 . 1 1 8 8 THR N N 8 113.736 113.736 115.943 -2.207 18817 1696 1 4 . 1 1 8 8 THR HA H 8 4.278 4.278 4.009 0.269 18817 1697 1 4 . 1 1 8 8 THR C C 8 176.016 176.016 176.680 -0.664 18817 1698 1 4 . 1 1 8 8 THR CA C 8 66.400 66.400 67.123 -0.723 18817 1699 1 4 . 1 1 8 8 THR CB C 8 67.084 67.084 68.385 -1.301 18817 1700 1 4 . 1 1 8 8 THR H H 8 8.399 8.399 7.927 0.472 18817 1701 1 4 . 1 1 9 9 GLN N N 9 121.349 121.349 121.310 0.039 18817 1702 1 4 . 1 1 9 9 GLN C C 9 178.464 178.464 178.231 0.233 18817 1703 1 4 . 1 1 9 9 GLN CA C 9 58.448 58.448 59.619 -1.171 18817 1704 1 4 . 1 1 9 9 GLN CB C 9 27.564 27.564 28.307 -0.743 18817 1705 1 4 . 1 1 9 9 GLN H H 9 7.942 7.942 7.930 0.012 18817 1706 1 4 . 1 1 10 10 THR N N 10 117.451 117.451 113.992 3.459 18817 1707 1 4 . 1 1 10 10 THR HA H 10 4.278 4.278 3.940 0.338 18817 1708 1 4 . 1 1 10 10 THR C C 10 176.380 176.380 176.753 -0.373 18817 1709 1 4 . 1 1 10 10 THR CA C 10 66.353 66.353 66.005 0.348 18817 1710 1 4 . 1 1 10 10 THR CB C 10 67.910 67.910 68.523 -0.613 18817 1711 1 4 . 1 1 10 10 THR H H 10 7.767 7.767 7.576 0.191 18817 1712 1 4 . 1 1 11 11 LEU N N 11 121.448 121.448 122.242 -0.794 18817 1713 1 4 . 1 1 11 11 LEU C C 11 178.255 178.255 178.892 -0.637 18817 1714 1 4 . 1 1 11 11 LEU CA C 11 57.614 57.614 58.025 -0.411 18817 1715 1 4 . 1 1 11 11 LEU CB C 11 40.574 40.574 41.778 -1.204 18817 1716 1 4 . 1 1 11 11 LEU H H 11 7.958 7.958 7.668 0.290 18817 1717 1 4 . 1 1 12 12 GLU N N 12 117.911 117.911 119.910 -1.999 18817 1718 1 4 . 1 1 12 12 GLU C C 12 177.809 177.809 179.056 -1.247 18817 1719 1 4 . 1 1 12 12 GLU CA C 12 59.675 59.675 59.958 -0.283 18817 1720 1 4 . 1 1 12 12 GLU CB C 12 27.358 27.358 29.410 -2.052 18817 1721 1 4 . 1 1 12 12 GLU H H 12 8.206 8.206 8.443 -0.237 18817 1722 1 4 . 1 1 13 13 ASP C C 13 178.880 178.880 179.059 -0.179 18817 1723 1 4 . 1 1 13 13 ASP CA C 13 58.468 58.468 57.809 0.659 18817 1724 1 4 . 1 1 13 13 ASP CB C 13 40.613 40.613 40.619 -0.006 18817 1725 1 4 . 1 1 14 14 VAL N N 14 118.703 118.703 119.773 -1.070 18817 1726 1 4 . 1 1 14 14 VAL C C 14 177.885 177.885 177.667 0.218 18817 1727 1 4 . 1 1 14 14 VAL CA C 14 66.212 66.212 66.174 0.038 18817 1728 1 4 . 1 1 14 14 VAL CB C 14 30.614 30.614 31.912 -1.298 18817 1729 1 4 . 1 1 14 14 VAL H H 14 8.943 8.943 7.443 1.500 18817 1730 1 4 . 1 1 15 15 PHE N N 15 118.897 118.897 120.850 -1.953 18817 1731 1 4 . 1 1 15 15 PHE C C 15 177.542 177.542 177.398 0.144 18817 1732 1 4 . 1 1 15 15 PHE CA C 15 61.165 61.165 61.525 -0.360 18817 1733 1 4 . 1 1 15 15 PHE CB C 15 37.723 37.723 39.278 -1.555 18817 1734 1 4 . 1 1 15 15 PHE H H 15 8.379 8.379 8.652 -0.273 18817 1735 1 4 . 1 1 16 16 ARG N N 16 119.285 119.285 119.593 -0.308 18817 1736 1 4 . 1 1 16 16 ARG C C 16 177.852 177.852 178.474 -0.622 18817 1737 1 4 . 1 1 16 16 ARG CA C 16 59.972 59.972 59.927 0.045 18817 1738 1 4 . 1 1 16 16 ARG CB C 16 29.491 29.491 30.067 -0.576 18817 1739 1 4 . 1 1 16 16 ARG H H 16 8.455 8.455 8.916 -0.461 18817 1740 1 4 . 1 1 17 17 ARG N N 17 117.721 117.721 119.344 -1.623 18817 1741 1 4 . 1 1 17 17 ARG C C 17 179.606 179.606 178.847 0.759 18817 1742 1 4 . 1 1 17 17 ARG CA C 17 58.965 58.965 59.269 -0.304 18817 1743 1 4 . 1 1 17 17 ARG CB C 17 29.220 29.220 30.270 -1.050 18817 1744 1 4 . 1 1 17 17 ARG H H 17 7.816 7.816 7.552 0.264 18817 1745 1 4 . 1 1 18 18 ILE N N 18 121.097 121.097 121.069 0.028 18817 1746 1 4 . 1 1 18 18 ILE C C 18 177.115 177.115 178.089 -0.974 18817 1747 1 4 . 1 1 18 18 ILE CA C 18 64.570 64.570 65.286 -0.716 18817 1748 1 4 . 1 1 18 18 ILE CB C 18 37.150 37.150 37.800 -0.650 18817 1749 1 4 . 1 1 18 18 ILE H H 18 8.180 8.180 8.384 -0.204 18817 1750 1 4 . 1 1 19 19 PHE N N 19 120.545 120.545 120.998 -0.453 18817 1751 1 4 . 1 1 19 19 PHE C C 19 177.154 177.154 177.348 -0.194 18817 1752 1 4 . 1 1 19 19 PHE CA C 19 61.665 61.665 62.482 -0.817 18817 1753 1 4 . 1 1 19 19 PHE CB C 19 38.609 38.609 39.056 -0.447 18817 1754 1 4 . 1 1 19 19 PHE H H 19 8.407 8.407 7.878 0.529 18817 1755 1 4 . 1 1 20 20 ILE N N 20 118.206 118.206 118.577 -0.371 18817 1756 1 4 . 1 1 20 20 ILE C C 20 177.915 177.915 178.571 -0.656 18817 1757 1 4 . 1 1 20 20 ILE CA C 20 63.965 63.965 63.960 0.005 18817 1758 1 4 . 1 1 20 20 ILE CB C 20 36.828 36.828 36.536 0.292 18817 1759 1 4 . 1 1 20 20 ILE H H 20 8.350 8.350 7.760 0.590 18817 1760 1 4 . 1 1 21 21 THR N N 21 116.423 116.423 116.373 0.050 18817 1761 1 4 . 1 1 21 21 THR C C 21 176.419 176.419 176.284 0.135 18817 1762 1 4 . 1 1 21 21 THR CA C 21 66.069 66.069 66.559 -0.490 18817 1763 1 4 . 1 1 21 21 THR CB C 21 68.168 68.168 68.822 -0.654 18817 1764 1 4 . 1 1 21 21 THR H H 21 7.692 7.692 8.486 -0.794 18817 1765 1 4 . 1 1 22 22 TYR N N 22 121.108 121.108 123.346 -2.238 18817 1766 1 4 . 1 1 22 22 TYR C C 22 177.398 177.398 176.864 0.534 18817 1767 1 4 . 1 1 22 22 TYR CA C 22 60.953 60.953 59.997 0.956 18817 1768 1 4 . 1 1 22 22 TYR CB C 22 37.643 37.643 38.034 -0.391 18817 1769 1 4 . 1 1 22 22 TYR H H 22 8.028 8.028 8.400 -0.372 18817 1770 1 4 . 1 1 23 23 MET N N 23 118.337 118.337 115.962 2.375 18817 1771 1 4 . 1 1 23 23 MET C C 23 178.156 178.156 178.386 -0.230 18817 1772 1 4 . 1 1 23 23 MET CA C 23 57.078 57.078 57.880 -0.802 18817 1773 1 4 . 1 1 23 23 MET CB C 23 30.583 30.583 31.192 -0.609 18817 1774 1 4 . 1 1 23 23 MET H H 23 8.135 8.135 8.416 -0.281 18817 1775 1 4 . 1 1 24 24 ASP N N 24 118.883 118.883 119.848 -0.965 18817 1776 1 4 . 1 1 24 24 ASP C C 24 177.682 177.682 178.681 -0.999 18817 1777 1 4 . 1 1 24 24 ASP CA C 24 56.222 56.222 57.245 -1.023 18817 1778 1 4 . 1 1 24 24 ASP CB C 24 39.820 39.820 40.648 -0.828 18817 1779 1 4 . 1 1 24 24 ASP H H 24 8.208 8.208 7.799 0.409 18817 1780 1 4 . 1 1 25 25 ASN N N 25 116.989 116.989 118.977 -1.988 18817 1781 1 4 . 1 1 25 25 ASN C C 25 176.452 176.452 177.753 -1.301 18817 1782 1 4 . 1 1 25 25 ASN CA C 25 54.859 54.859 55.657 -0.798 18817 1783 1 4 . 1 1 25 25 ASN CB C 25 38.679 38.679 38.543 0.136 18817 1784 1 4 . 1 1 25 25 ASN H H 25 7.746 7.746 7.813 -0.067 18817 1785 1 4 . 1 1 26 26 TRP N N 26 120.811 120.811 121.001 -0.190 18817 1786 1 4 . 1 1 26 26 TRP C C 26 177.694 177.694 177.622 0.072 18817 1787 1 4 . 1 1 26 26 TRP CA C 26 58.922 58.922 60.710 -1.788 18817 1788 1 4 . 1 1 26 26 TRP CB C 26 28.772 28.772 29.078 -0.306 18817 1789 1 4 . 1 1 26 26 TRP H H 26 7.951 7.951 7.302 0.649 18817 1790 1 4 . 1 1 27 27 ARG N N 27 119.926 119.926 118.903 1.023 18817 1791 1 4 . 1 1 27 27 ARG C C 27 177.355 177.355 179.094 -1.739 18817 1792 1 4 . 1 1 27 27 ARG CA C 27 57.844 57.844 59.108 -1.264 18817 1793 1 4 . 1 1 27 27 ARG CB C 27 29.249 29.249 29.935 -0.686 18817 1794 1 4 . 1 1 27 27 ARG H H 27 7.971 7.971 7.832 0.139 18817 1795 1 4 . 1 1 28 28 GLN N N 28 118.022 118.022 117.814 0.208 18817 1796 1 4 . 1 1 28 28 GLN C C 28 176.547 176.547 177.797 -1.250 18817 1797 1 4 . 1 1 28 28 GLN CA C 28 56.751 56.751 58.529 -1.778 18817 1798 1 4 . 1 1 28 28 GLN CB C 28 28.167 28.167 28.537 -0.370 18817 1799 1 4 . 1 1 28 28 GLN H H 28 7.868 7.868 7.928 -0.060 18817 1800 1 4 . 1 1 29 29 ASN N N 29 118.257 118.257 117.766 0.491 18817 1801 1 4 . 1 1 29 29 ASN C C 29 175.576 175.576 176.557 -0.981 18817 1802 1 4 . 1 1 29 29 ASN CA C 29 53.311 53.311 54.862 -1.551 18817 1803 1 4 . 1 1 29 29 ASN CB C 29 38.530 38.530 37.901 0.629 18817 1804 1 4 . 1 1 29 29 ASN H H 29 7.915 7.915 7.742 0.172 18817 1805 1 4 . 1 1 30 30 THR N N 30 113.464 113.464 116.028 -2.564 18817 1806 1 4 . 1 1 30 30 THR HA H 30 4.348 4.348 3.705 0.643 18817 1807 1 4 . 1 1 30 30 THR C C 30 175.453 175.453 176.203 -0.750 18817 1808 1 4 . 1 1 30 30 THR CA C 30 62.528 62.528 66.261 -3.733 18817 1809 1 4 . 1 1 30 30 THR CB C 30 69.103 69.103 68.000 1.103 18817 1810 1 4 . 1 1 30 30 THR H H 30 7.840 7.840 7.106 0.734 18817 1811 1 4 . 1 1 31 31 THR N N 31 116.868 116.868 116.169 0.699 18817 1812 1 4 . 1 1 31 31 THR C C 31 175.450 175.450 175.517 -0.067 18817 1813 1 4 . 1 1 31 31 THR CA C 31 63.705 63.705 65.357 -1.652 18817 1814 1 4 . 1 1 31 31 THR CB C 31 69.132 69.132 68.632 0.500 18817 1815 1 4 . 1 1 31 31 THR H H 31 7.955 7.955 7.421 0.534 18817 1816 1 4 . 1 1 32 32 ALA N N 32 124.803 124.803 123.091 1.712 18817 1817 1 4 . 1 1 32 32 ALA C C 32 179.686 179.686 179.574 0.112 18817 1818 1 4 . 1 1 32 32 ALA CA C 32 53.748 53.748 54.702 -0.954 18817 1819 1 4 . 1 1 32 32 ALA CB C 32 17.669 17.669 18.208 -0.539 18817 1820 1 4 . 1 1 32 32 ALA H H 32 8.226 8.226 7.392 0.834 18817 1821 1 4 . 1 1 33 33 GLU N N 33 118.847 118.847 117.622 1.225 18817 1822 1 4 . 1 1 33 33 GLU C C 33 177.525 177.525 178.847 -1.322 18817 1823 1 4 . 1 1 33 33 GLU CA C 33 58.026 58.026 59.282 -1.256 18817 1824 1 4 . 1 1 33 33 GLU CB C 33 27.793 27.793 29.145 -1.352 18817 1825 1 4 . 1 1 33 33 GLU H H 33 8.153 8.153 7.663 0.490 18817 1826 1 4 . 1 1 34 34 GLN N N 34 119.840 119.840 118.728 1.112 18817 1827 1 4 . 1 1 34 34 GLN C C 34 177.628 177.628 178.157 -0.529 18817 1828 1 4 . 1 1 34 34 GLN CA C 34 57.976 57.976 58.890 -0.914 18817 1829 1 4 . 1 1 34 34 GLN CB C 34 27.786 27.786 28.333 -0.547 18817 1830 1 4 . 1 1 34 34 GLN H H 34 8.109 8.109 7.733 0.376 18817 1831 1 4 . 1 1 35 35 GLU N N 35 119.894 119.894 119.165 0.729 18817 1832 1 4 . 1 1 35 35 GLU C C 35 178.149 178.149 178.481 -0.332 18817 1833 1 4 . 1 1 35 35 GLU CA C 35 58.160 58.160 59.354 -1.194 18817 1834 1 4 . 1 1 35 35 GLU CB C 35 28.337 28.337 29.185 -0.848 18817 1835 1 4 . 1 1 35 35 GLU H H 35 8.170 8.170 7.665 0.505 18817 1836 1 4 . 1 1 36 36 ALA N N 36 123.045 123.045 121.251 1.794 18817 1837 1 4 . 1 1 36 36 ALA C C 36 179.303 179.303 179.408 -0.105 18817 1838 1 4 . 1 1 36 36 ALA CA C 36 53.615 53.615 54.608 -0.993 18817 1839 1 4 . 1 1 36 36 ALA CB C 36 17.788 17.788 18.069 -0.281 18817 1840 1 4 . 1 1 36 36 ALA H H 36 7.884 7.884 7.477 0.407 18817 1841 1 4 . 1 1 37 37 LEU N N 37 119.469 119.469 119.215 0.254 18817 1842 1 4 . 1 1 37 37 LEU C C 37 178.226 178.226 178.031 0.195 18817 1843 1 4 . 1 1 37 37 LEU CA C 37 56.671 56.671 57.890 -1.219 18817 1844 1 4 . 1 1 37 37 LEU CB C 37 40.965 40.965 41.939 -0.974 18817 1845 1 4 . 1 1 37 37 LEU H H 37 7.907 7.907 7.692 0.215 18817 1846 1 4 . 1 1 38 38 GLN N N 38 118.655 118.655 116.760 1.895 18817 1847 1 4 . 1 1 38 38 GLN C C 38 176.775 176.775 177.479 -0.704 18817 1848 1 4 . 1 1 38 38 GLN CA C 38 57.420 57.420 58.136 -0.716 18817 1849 1 4 . 1 1 38 38 GLN CB C 38 28.042 28.042 28.057 -0.015 18817 1850 1 4 . 1 1 38 38 GLN H H 38 8.097 8.097 7.733 0.364 18817 1851 1 4 . 1 1 39 39 ALA N N 39 121.284 121.284 123.342 -2.058 18817 1852 1 4 . 1 1 39 39 ALA C C 39 178.516 178.516 178.786 -0.270 18817 1853 1 4 . 1 1 39 39 ALA CA C 39 53.221 53.221 54.322 -1.101 18817 1854 1 4 . 1 1 39 39 ALA CB C 39 18.032 18.032 18.621 -0.589 18817 1855 1 4 . 1 1 39 39 ALA H H 39 7.724 7.724 7.399 0.325 18817 1856 1 4 . 1 1 40 40 LYS N N 40 118.343 118.343 116.634 1.709 18817 1857 1 4 . 1 1 40 40 LYS C C 40 176.835 176.835 176.358 0.477 18817 1858 1 4 . 1 1 40 40 LYS CA C 40 56.436 56.436 55.661 0.775 18817 1859 1 4 . 1 1 40 40 LYS CB C 40 32.005 32.005 33.007 -1.002 18817 1860 1 4 . 1 1 40 40 LYS H H 40 7.702 7.702 7.738 -0.036 18817 1861 1 4 . 1 1 41 41 VAL N N 41 118.825 118.825 119.877 -1.052 18817 1862 1 4 . 1 1 41 41 VAL C C 41 175.383 175.383 174.815 0.568 18817 1863 1 4 . 1 1 41 41 VAL CA C 41 62.305 62.305 63.581 -1.276 18817 1864 1 4 . 1 1 41 41 VAL CB C 41 31.695 31.695 31.580 0.115 18817 1865 1 4 . 1 1 41 41 VAL H H 41 7.723 7.723 7.184 0.539 18817 1866 1 4 . 1 1 42 42 ASP N N 42 122.980 122.980 117.314 5.666 18817 1867 1 4 . 1 1 42 42 ASP HA H 42 4.323 4.323 4.378 -0.055 18817 1868 1 4 . 1 1 42 42 ASP C C 42 176.128 176.128 176.339 -0.211 18817 1869 1 4 . 1 1 42 42 ASP CA C 42 53.641 53.641 55.624 -1.984 18817 1870 1 4 . 1 1 42 42 ASP CB C 42 40.281 40.281 39.635 0.646 18817 1871 1 4 . 1 1 42 42 ASP H H 42 8.229 8.229 8.269 -0.040 18817 1872 1 4 . 1 1 43 43 ALA N N 43 123.146 123.146 121.534 1.612 18817 1873 1 4 . 1 1 43 43 ALA C C 43 178.308 178.308 179.022 -0.714 18817 1874 1 4 . 1 1 43 43 ALA CA C 43 53.366 53.366 54.622 -1.256 18817 1875 1 4 . 1 1 43 43 ALA CB C 43 18.215 18.215 19.110 -0.895 18817 1876 1 4 . 1 1 43 43 ALA H H 43 8.095 8.095 8.058 0.037 18817 1877 1 4 . 1 1 44 44 GLU N N 44 117.625 117.625 117.897 -0.272 18817 1878 1 4 . 1 1 44 44 GLU C C 44 176.974 176.974 176.228 0.746 18817 1879 1 4 . 1 1 44 44 GLU CA C 44 57.011 57.011 57.588 -0.577 18817 1880 1 4 . 1 1 44 44 GLU CB C 44 28.434 28.434 29.757 -1.323 18817 1881 1 4 . 1 1 44 44 GLU H H 44 8.173 8.173 8.675 -0.502 18817 1882 1 4 . 1 1 45 45 ASN N N 45 117.214 117.214 113.065 4.149 18817 1883 1 4 . 1 1 45 45 ASN C C 45 176.652 176.652 176.054 0.598 18817 1884 1 4 . 1 1 45 45 ASN CA C 45 53.544 53.544 54.770 -1.226 18817 1885 1 4 . 1 1 45 45 ASN CB C 45 38.334 38.334 37.090 1.244 18817 1886 1 4 . 1 1 45 45 ASN H H 45 8.059 8.059 8.512 -0.453 18817 1887 1 4 . 1 1 46 46 PHE N N 46 120.987 120.987 117.909 3.078 18817 1888 1 4 . 1 1 46 46 PHE C C 46 176.975 176.975 176.401 0.574 18817 1889 1 4 . 1 1 46 46 PHE CA C 46 60.113 60.113 60.213 -0.100 18817 1890 1 4 . 1 1 46 46 PHE CB C 46 38.290 38.290 38.626 -0.335 18817 1891 1 4 . 1 1 46 46 PHE H H 46 8.163 8.163 7.924 0.239 18817 1892 1 4 . 1 1 47 47 TYR N N 47 116.519 116.519 115.781 0.738 18817 1893 1 4 . 1 1 47 47 TYR C C 47 176.063 176.063 177.613 -1.550 18817 1894 1 4 . 1 1 47 47 TYR CA C 47 60.569 60.569 61.252 -0.683 18817 1895 1 4 . 1 1 47 47 TYR CB C 47 36.886 36.886 37.151 -0.265 18817 1896 1 4 . 1 1 47 47 TYR H H 47 7.417 7.417 7.471 -0.054 18817 1897 1 4 . 1 1 48 48 TYR N N 48 116.519 116.519 118.071 -1.552 18817 1898 1 4 . 1 1 48 48 TYR C C 48 177.063 177.063 177.755 -0.692 18817 1899 1 4 . 1 1 48 48 TYR CA C 48 60.569 60.569 61.951 -1.382 18817 1900 1 4 . 1 1 48 48 TYR CB C 48 36.886 36.886 37.804 -0.918 18817 1901 1 4 . 1 1 48 48 TYR H H 48 7.417 7.417 7.644 -0.227 18817 1902 1 4 . 1 1 49 49 VAL N N 49 118.292 118.292 120.037 -1.745 18817 1903 1 4 . 1 1 49 49 VAL C C 49 177.154 177.154 177.595 -0.441 18817 1904 1 4 . 1 1 49 49 VAL CA C 49 66.194 66.194 66.696 -0.502 18817 1905 1 4 . 1 1 49 49 VAL CB C 49 30.389 30.389 31.317 -0.927 18817 1906 1 4 . 1 1 49 49 VAL H H 49 7.439 7.439 7.244 0.195 18817 1907 1 4 . 1 1 50 50 ILE N N 50 117.581 117.581 119.721 -2.140 18817 1908 1 4 . 1 1 50 50 ILE C C 50 177.307 177.307 178.051 -0.744 18817 1909 1 4 . 1 1 50 50 ILE CA C 50 63.876 63.876 65.156 -1.280 18817 1910 1 4 . 1 1 50 50 ILE CB C 50 35.725 35.725 37.485 -1.760 18817 1911 1 4 . 1 1 50 50 ILE H H 50 7.491 7.491 7.663 -0.172 18817 1912 1 4 . 1 1 51 51 LEU N N 51 120.363 120.363 121.366 -1.003 18817 1913 1 4 . 1 1 51 51 LEU C C 51 178.335 178.335 178.657 -0.322 18817 1914 1 4 . 1 1 51 51 LEU CA C 51 58.042 58.042 58.479 -0.437 18817 1915 1 4 . 1 1 51 51 LEU CB C 51 40.550 40.550 41.793 -1.243 18817 1916 1 4 . 1 1 51 51 LEU H H 51 7.699 7.699 7.413 0.286 18817 1917 1 4 . 1 1 53 53 LEU C C 53 178.638 178.638 178.872 -0.234 18817 1918 1 4 . 1 1 53 53 LEU CA C 53 57.795 57.795 58.164 -0.369 18817 1919 1 4 . 1 1 53 53 LEU CB C 53 40.796 40.796 42.135 -1.339 18817 1920 1 4 . 1 1 54 54 MET N N 54 117.957 117.957 118.746 -0.789 18817 1921 1 4 . 1 1 54 54 MET C C 54 178.471 178.471 178.351 0.120 18817 1922 1 4 . 1 1 54 54 MET CA C 54 58.432 58.432 58.361 0.071 18817 1923 1 4 . 1 1 54 54 MET CB C 54 31.395 31.395 31.920 -0.525 18817 1924 1 4 . 1 1 54 54 MET H H 54 8.396 8.396 8.194 0.202 18817 1925 1 4 . 1 1 56 56 MET C C 56 177.895 177.895 178.844 -0.949 18817 1926 1 4 . 1 1 56 56 MET CA C 56 58.793 58.793 58.878 -0.085 18817 1927 1 4 . 1 1 57 57 ILE N N 57 119.111 119.111 118.106 1.005 18817 1928 1 4 . 1 1 57 57 ILE C C 57 179.504 179.504 178.450 1.054 18817 1929 1 4 . 1 1 57 57 ILE CA C 57 64.890 64.890 65.271 -0.381 18817 1930 1 4 . 1 1 57 57 ILE CB C 57 36.497 36.497 36.421 0.076 18817 1931 1 4 . 1 1 57 57 ILE H H 57 8.556 8.556 8.090 0.466 18817 1932 1 4 . 1 1 58 58 GLY N N 58 111.097 111.097 108.206 2.891 18817 1933 1 4 . 1 1 58 58 GLY C C 58 174.211 174.211 176.604 -2.393 18817 1934 1 4 . 1 1 58 58 GLY CA C 58 47.038 47.038 47.096 -0.058 18817 1935 1 4 . 1 1 58 58 GLY H H 58 8.745 8.745 8.361 0.384 18817 1936 1 4 . 1 1 59 59 MET N N 59 120.903 120.903 121.771 -0.868 18817 1937 1 4 . 1 1 59 59 MET C C 59 178.075 178.075 178.393 -0.318 18817 1938 1 4 . 1 1 59 59 MET CA C 59 58.763 58.763 59.371 -0.608 18817 1939 1 4 . 1 1 59 59 MET CB C 59 32.415 32.415 32.665 -0.250 18817 1940 1 4 . 1 1 59 59 MET H H 59 8.612 8.612 8.012 0.600 18817 1941 1 4 . 1 1 60 60 PHE N N 60 117.888 117.888 121.125 -3.237 18817 1942 1 4 . 1 1 60 60 PHE C C 60 177.292 177.292 176.991 0.301 18817 1943 1 4 . 1 1 60 60 PHE CA C 60 60.486 60.486 60.440 0.046 18817 1944 1 4 . 1 1 60 60 PHE CB C 60 38.213 38.213 38.967 -0.754 18817 1945 1 4 . 1 1 60 60 PHE H H 60 8.495 8.495 9.199 -0.704 18817 1946 1 4 . 1 1 61 61 SER N N 61 115.530 115.530 116.115 -0.585 18817 1947 1 4 . 1 1 61 61 SER C C 61 175.141 175.141 176.432 -1.291 18817 1948 1 4 . 1 1 61 61 SER CA C 61 63.198 63.198 62.125 1.073 18817 1949 1 4 . 1 1 61 61 SER CB C 61 62.050 62.050 62.989 -0.938 18817 1950 1 4 . 1 1 61 61 SER H H 61 8.338 8.338 8.404 -0.066 18817 1951 1 4 . 1 1 62 62 PHE N N 62 121.237 121.237 122.348 -1.111 18817 1952 1 4 . 1 1 62 62 PHE C C 62 176.761 176.761 177.002 -0.241 18817 1953 1 4 . 1 1 62 62 PHE CA C 62 60.791 60.791 62.292 -1.501 18817 1954 1 4 . 1 1 62 62 PHE CB C 62 38.124 38.124 39.208 -1.084 18817 1955 1 4 . 1 1 62 62 PHE H H 62 8.077 8.077 8.010 0.067 18817 1956 1 4 . 1 1 64 64 ILE N N 64 118.608 118.608 118.281 0.327 18817 1957 1 4 . 1 1 64 64 ILE C C 64 177.805 177.805 178.362 -0.557 18817 1958 1 4 . 1 1 64 64 ILE CA C 64 64.465 64.465 63.352 1.113 18817 1959 1 4 . 1 1 64 64 ILE CB C 64 35.984 35.984 35.945 0.039 18817 1960 1 4 . 1 1 64 64 ILE H H 64 7.956 7.956 7.207 0.749 18817 1961 1 4 . 1 1 65 65 VAL N N 65 119.395 119.395 120.679 -1.284 18817 1962 1 4 . 1 1 65 65 VAL C C 65 177.045 177.045 177.410 -0.365 18817 1963 1 4 . 1 1 65 65 VAL CA C 65 66.773 66.773 66.803 -0.030 18817 1964 1 4 . 1 1 65 65 VAL CB C 65 30.099 30.099 31.208 -1.109 18817 1965 1 4 . 1 1 65 65 VAL H H 65 8.137 8.137 7.473 0.664 18817 1966 1 4 . 1 1 67 67 ILE C C 67 179.153 179.153 177.564 1.589 18817 1967 1 4 . 1 1 67 67 ILE CA C 67 64.933 64.933 64.499 0.434 18817 1968 1 4 . 1 1 67 67 ILE CB C 67 36.977 36.977 37.534 -0.557 18817 1969 1 4 . 1 1 68 68 LEU N N 68 123.998 123.998 121.814 2.184 18817 1970 1 4 . 1 1 68 68 LEU HA H 68 4.301 4.301 4.086 0.215 18817 1971 1 4 . 1 1 68 68 LEU CA C 68 58.529 58.529 58.666 -0.137 18817 1972 1 4 . 1 1 68 68 LEU CB C 68 40.768 40.768 41.618 -0.850 18817 1973 1 4 . 1 1 68 68 LEU H H 68 8.540 8.540 7.689 0.851 18817 1974 1 4 . 1 1 69 69 VAL N N 69 120.584 120.584 116.902 3.682 18817 1975 1 4 . 1 1 69 69 VAL C C 69 177.859 177.859 177.718 0.141 18817 1976 1 4 . 1 1 69 69 VAL CA C 69 65.949 65.949 66.928 -0.979 18817 1977 1 4 . 1 1 69 69 VAL CB C 69 30.847 30.847 31.190 -0.343 18817 1978 1 4 . 1 1 69 69 VAL H H 69 8.173 8.173 7.883 0.290 18817 1979 1 4 . 1 1 70 70 SER N N 70 114.121 114.121 116.147 -2.026 18817 1980 1 4 . 1 1 70 70 SER CA C 70 61.630 61.630 62.152 -0.522 18817 1981 1 4 . 1 1 70 70 SER CB C 70 62.527 62.527 63.044 -0.516 18817 1982 1 4 . 1 1 70 70 SER H H 70 7.898 7.898 7.772 0.126 18817 1983 1 4 . 1 1 71 71 THR HA H 71 4.300 4.300 4.066 0.234 18817 1984 1 4 . 1 1 71 71 THR C C 71 176.381 176.381 176.822 -0.441 18817 1985 1 4 . 1 1 71 71 THR CA C 71 65.981 65.981 65.558 0.423 18817 1986 1 4 . 1 1 71 71 THR CB C 71 68.416 68.416 68.200 0.216 18817 1987 1 4 . 1 1 72 72 VAL N N 72 121.958 121.958 123.066 -1.108 18817 1988 1 4 . 1 1 72 72 VAL C C 72 177.791 177.791 177.529 0.262 18817 1989 1 4 . 1 1 72 72 VAL CA C 72 65.532 65.532 67.229 -1.697 18817 1990 1 4 . 1 1 72 72 VAL CB C 72 30.882 30.882 31.527 -0.645 18817 1991 1 4 . 1 1 72 72 VAL H H 72 8.092 8.092 8.248 -0.156 18817 1992 1 4 . 1 1 73 73 LYS C C 73 178.310 178.310 178.295 0.015 18817 1993 1 4 . 1 1 73 73 LYS CA C 73 58.279 58.279 59.373 -1.095 18817 1994 1 4 . 1 1 73 73 LYS CB C 73 31.350 31.350 32.290 -0.940 18817 1995 1 4 . 1 1 74 74 SER N N 74 114.589 114.589 114.641 -0.052 18817 1996 1 4 . 1 1 74 74 SER C C 74 175.895 175.895 176.946 -1.051 18817 1997 1 4 . 1 1 74 74 SER CA C 74 59.979 59.979 61.398 -1.419 18817 1998 1 4 . 1 1 74 74 SER CB C 74 62.823 62.823 63.027 -0.204 18817 1999 1 4 . 1 1 74 74 SER H H 74 7.816 7.816 8.206 -0.390 18817 2000 1 4 . 1 1 75 75 LYS N N 75 121.984 121.984 122.698 -0.714 18817 2001 1 4 . 1 1 75 75 LYS C C 75 177.649 177.649 178.559 -0.910 18817 2002 1 4 . 1 1 75 75 LYS CA C 75 56.892 56.892 58.887 -1.995 18817 2003 1 4 . 1 1 75 75 LYS CB C 75 31.263 31.263 32.465 -1.202 18817 2004 1 4 . 1 1 75 75 LYS H H 75 7.964 7.964 7.791 0.173 18817 2005 1 4 . 1 1 76 76 ARG N N 76 119.656 119.656 116.442 3.214 18817 2006 1 4 . 1 1 76 76 ARG C C 76 177.010 177.010 176.064 0.946 18817 2007 1 4 . 1 1 76 76 ARG CA C 76 56.671 56.671 56.592 0.079 18817 2008 1 4 . 1 1 76 76 ARG CB C 76 29.471 29.471 30.520 -1.049 18817 2009 1 4 . 1 1 76 76 ARG H H 76 7.909 7.909 7.619 0.290 18817 2010 1 4 . 1 1 77 77 ARG N N 77 120.815 120.815 119.858 0.957 18817 2011 1 4 . 1 1 77 77 ARG C C 77 176.633 176.633 175.027 1.606 18817 2012 1 4 . 1 1 77 77 ARG CA C 77 56.355 56.355 57.130 -0.775 18817 2013 1 4 . 1 1 77 77 ARG CB C 77 29.718 29.718 28.434 1.284 18817 2014 1 4 . 1 1 77 77 ARG H H 77 7.860 7.860 7.691 0.169 18817 2015 1 4 . 1 1 78 78 GLU N N 78 120.635 120.635 119.640 0.995 18817 2016 1 4 . 1 1 78 78 GLU C C 78 176.320 176.320 174.441 1.879 18817 2017 1 4 . 1 1 78 78 GLU CA C 78 56.368 56.368 55.877 0.491 18817 2018 1 4 . 1 1 78 78 GLU CB C 78 29.083 29.083 32.318 -3.235 18817 2019 1 4 . 1 1 78 78 GLU H H 78 8.119 8.119 8.226 -0.107 18817 2020 1 4 . 1 1 79 79 HIS N N 79 117.659 117.659 120.850 -3.191 18817 2021 1 4 . 1 1 79 79 HIS C C 79 174.583 174.583 174.103 0.480 18817 2022 1 4 . 1 1 79 79 HIS CA C 79 54.918 54.918 55.685 -0.768 18817 2023 1 4 . 1 1 79 79 HIS CB C 79 28.249 28.249 29.473 -1.224 18817 2024 1 4 . 1 1 79 79 HIS H H 79 8.042 8.042 8.578 -0.536 18817 2025 1 4 . 1 1 80 80 SER N N 80 116.920 116.920 118.993 -2.073 18817 2026 1 4 . 1 1 80 80 SER C C 80 174.323 174.323 173.264 1.059 18817 2027 1 4 . 1 1 80 80 SER CA C 80 58.377 58.377 57.019 1.358 18817 2028 1 4 . 1 1 80 80 SER CB C 80 63.113 63.113 65.402 -2.289 18817 2029 1 4 . 1 1 80 80 SER H H 80 8.151 8.151 8.340 -0.189 18817 2030 1 4 . 1 1 81 81 ASN N N 81 120.963 120.963 120.009 0.954 18817 2031 1 4 . 1 1 81 81 ASN C C 81 174.436 174.436 174.124 0.312 18817 2032 1 4 . 1 1 81 81 ASN CA C 81 52.945 52.945 53.158 -0.213 18817 2033 1 4 . 1 1 81 81 ASN CB C 81 38.324 38.324 39.040 -0.716 18817 2034 1 4 . 1 1 81 81 ASN H H 81 8.411 8.411 8.497 -0.086 18817 2035 1 4 . 1 1 83 83 PRO C C 83 176.072 176.072 175.848 0.224 18817 2036 1 4 . 1 1 83 83 PRO CA C 83 62.420 62.420 62.609 -0.189 18817 2037 1 4 . 1 1 83 83 PRO CB C 83 33.212 33.212 32.112 1.100 18817 2038 1 4 . 1 1 84 84 TYR N N 84 124.146 124.146 121.612 2.534 18817 2039 1 4 . 1 1 84 84 TYR C C 84 176.670 176.670 175.099 1.571 18817 2040 1 4 . 1 1 84 84 TYR CA C 84 55.352 55.352 57.298 -1.946 18817 2041 1 4 . 1 1 84 84 TYR CB C 84 40.958 40.958 38.233 2.725 18817 2042 1 4 . 1 1 84 84 TYR H H 84 8.487 8.487 8.262 0.225 18817 2043 1 4 . 1 1 86 86 GLN C C 86 177.884 177.884 176.595 1.289 18817 2044 1 4 . 1 1 86 86 GLN CA C 86 59.593 59.593 58.371 1.222 18817 2045 1 4 . 1 1 86 86 GLN CB C 86 27.335 27.335 28.818 -1.483 18817 2046 1 4 . 1 1 87 87 TYR N N 87 119.339 119.339 117.729 1.610 18817 2047 1 4 . 1 1 87 87 TYR C C 87 178.922 178.922 176.904 2.018 18817 2048 1 4 . 1 1 87 87 TYR CA C 87 57.225 57.225 58.690 -1.465 18817 2049 1 4 . 1 1 87 87 TYR CB C 87 40.155 40.155 37.654 2.501 18817 2050 1 4 . 1 1 87 87 TYR H H 87 7.981 7.981 8.052 -0.071 18817 2051 1 4 . 1 1 88 88 ILE C C 88 175.951 175.951 177.170 -1.219 18817 2052 1 4 . 1 1 89 89 VAL N N 89 119.921 119.921 116.628 3.293 18817 2053 1 4 . 1 1 89 89 VAL C C 89 177.806 177.806 177.887 -0.081 18817 2054 1 4 . 1 1 89 89 VAL CA C 89 63.289 63.289 66.539 -3.250 18817 2055 1 4 . 1 1 89 89 VAL CB C 89 31.247 31.247 30.788 0.459 18817 2056 1 4 . 1 1 89 89 VAL H H 89 7.397 7.397 7.459 -0.062 18817 2057 1 4 . 1 1 90 90 GLU N N 90 119.266 119.266 121.036 -1.770 18817 2058 1 4 . 1 1 90 90 GLU C C 90 178.316 178.316 178.361 -0.045 18817 2059 1 4 . 1 1 90 90 GLU CA C 90 58.285 58.285 59.245 -0.960 18817 2060 1 4 . 1 1 90 90 GLU CB C 90 31.270 31.270 29.671 1.599 18817 2061 1 4 . 1 1 90 90 GLU H H 90 8.111 8.111 7.686 0.425 18817 2062 1 4 . 1 1 91 91 ASP C C 91 177.542 177.542 178.179 -0.637 18817 2063 1 4 . 1 1 91 91 ASP CA C 91 56.637 56.637 58.128 -1.491 18817 2064 1 4 . 1 1 91 91 ASP CB C 91 38.852 38.852 40.825 -1.973 18817 2065 1 4 . 1 1 92 92 TRP N N 92 120.874 120.874 120.846 0.028 18817 2066 1 4 . 1 1 92 92 TRP C C 92 177.384 177.384 178.452 -1.068 18817 2067 1 4 . 1 1 92 92 TRP CA C 92 59.510 59.510 61.769 -2.259 18817 2068 1 4 . 1 1 92 92 TRP CB C 92 27.817 27.817 29.654 -1.837 18817 2069 1 4 . 1 1 92 92 TRP H H 92 7.852 7.852 7.880 -0.028 18817 2070 1 4 . 1 1 93 93 GLN N N 93 119.478 119.478 118.354 1.124 18817 2071 1 4 . 1 1 93 93 GLN C C 93 177.653 177.653 178.205 -0.552 18817 2072 1 4 . 1 1 93 93 GLN CA C 93 58.991 58.991 59.266 -0.275 18817 2073 1 4 . 1 1 93 93 GLN CB C 93 27.205 27.205 28.459 -1.254 18817 2074 1 4 . 1 1 93 93 GLN H H 93 8.010 8.010 7.875 0.135 18817 2075 1 4 . 1 1 94 94 GLU N N 94 117.531 117.531 119.254 -1.723 18817 2076 1 4 . 1 1 94 94 GLU C C 94 178.798 178.798 179.107 -0.309 18817 2077 1 4 . 1 1 94 94 GLU CA C 94 57.794 57.794 58.974 -1.180 18817 2078 1 4 . 1 1 94 94 GLU CB C 94 28.816 28.816 29.766 -0.950 18817 2079 1 4 . 1 1 94 94 GLU H H 94 7.589 7.589 8.383 -0.794 18817 2080 1 4 . 1 1 95 95 LYS N N 95 119.905 119.905 120.513 -0.608 18817 2081 1 4 . 1 1 95 95 LYS C C 95 178.416 178.416 178.507 -0.091 18817 2082 1 4 . 1 1 95 95 LYS CA C 95 58.576 58.576 58.500 0.076 18817 2083 1 4 . 1 1 95 95 LYS CB C 95 32.120 32.120 32.516 -0.396 18817 2084 1 4 . 1 1 95 95 LYS H H 95 7.832 7.832 7.725 0.107 18817 2085 1 4 . 1 1 96 96 TYR N N 96 117.063 117.063 119.690 -2.627 18817 2086 1 4 . 1 1 96 96 TYR C C 96 176.535 176.535 177.244 -0.709 18817 2087 1 4 . 1 1 96 96 TYR CA C 96 58.804 58.804 60.251 -1.447 18817 2088 1 4 . 1 1 96 96 TYR CB C 96 37.106 37.106 37.757 -0.651 18817 2089 1 4 . 1 1 96 96 TYR H H 96 7.916 7.916 8.309 -0.393 18817 2090 1 4 . 1 1 97 97 LYS N N 97 120.781 120.781 118.622 2.159 18817 2091 1 4 . 1 1 97 97 LYS C C 97 178.281 178.281 178.887 -0.606 18817 2092 1 4 . 1 1 97 97 LYS CA C 97 59.605 59.605 58.976 0.629 18817 2093 1 4 . 1 1 97 97 LYS CB C 97 31.265 31.265 31.993 -0.728 18817 2094 1 4 . 1 1 97 97 LYS H H 97 7.610 7.610 7.364 0.246 18817 2095 1 4 . 1 1 98 98 SER N N 98 113.319 113.319 115.552 -2.233 18817 2096 1 4 . 1 1 98 98 SER C C 98 176.355 176.355 176.435 -0.080 18817 2097 1 4 . 1 1 98 98 SER CA C 98 60.840 60.840 60.951 -0.111 18817 2098 1 4 . 1 1 98 98 SER CB C 98 61.944 61.944 62.797 -0.853 18817 2099 1 4 . 1 1 98 98 SER H H 98 8.180 8.180 7.635 0.545 18817 2100 1 4 . 1 1 99 99 GLN N N 99 121.218 121.218 119.574 1.644 18817 2101 1 4 . 1 1 99 99 GLN C C 99 178.134 178.134 178.321 -0.187 18817 2102 1 4 . 1 1 99 99 GLN CA C 99 58.234 58.234 58.748 -0.514 18817 2103 1 4 . 1 1 99 99 GLN CB C 99 27.521 27.521 28.476 -0.955 18817 2104 1 4 . 1 1 99 99 GLN H H 99 7.822 7.822 7.377 0.445 18817 2105 1 4 . 1 1 100 100 ILE N N 100 119.936 119.936 116.464 3.472 18817 2106 1 4 . 1 1 100 100 ILE C C 100 177.443 177.443 177.105 0.338 18817 2107 1 4 . 1 1 100 100 ILE CA C 100 63.808 63.808 63.913 -0.105 18817 2108 1 4 . 1 1 100 100 ILE CB C 100 36.622 36.622 37.509 -0.887 18817 2109 1 4 . 1 1 100 100 ILE H H 100 7.992 7.992 7.089 0.903 18817 2110 1 4 . 1 1 101 101 LEU N N 101 120.350 120.350 121.601 -1.251 18817 2111 1 4 . 1 1 101 101 LEU C C 101 178.913 178.913 178.644 0.269 18817 2112 1 4 . 1 1 101 101 LEU CA C 101 56.911 56.911 58.127 -1.216 18817 2113 1 4 . 1 1 101 101 LEU CB C 101 40.296 40.296 41.716 -1.420 18817 2114 1 4 . 1 1 101 101 LEU H H 101 7.861 7.861 7.296 0.565 18817 2115 1 4 . 1 1 102 102 ASN N N 102 117.859 117.859 116.398 1.461 18817 2116 1 4 . 1 1 102 102 ASN C C 102 177.647 177.647 177.357 0.290 18817 2117 1 4 . 1 1 102 102 ASN CA C 102 54.937 54.937 55.769 -0.832 18817 2118 1 4 . 1 1 102 102 ASN CB C 102 37.917 37.917 38.343 -0.426 18817 2119 1 4 . 1 1 102 102 ASN H H 102 7.767 7.767 7.624 0.143 18817 2120 1 4 . 1 1 103 103 LEU N N 103 122.625 122.625 120.346 2.279 18817 2121 1 4 . 1 1 103 103 LEU C C 103 178.656 178.656 178.067 0.589 18817 2122 1 4 . 1 1 103 103 LEU CA C 103 57.339 57.339 57.974 -0.635 18817 2123 1 4 . 1 1 103 103 LEU CB C 103 40.726 40.726 41.730 -1.004 18817 2124 1 4 . 1 1 103 103 LEU H H 103 8.021 8.021 7.437 0.584 18817 2125 1 4 . 1 1 104 104 GLU N N 104 118.900 118.900 117.586 1.314 18817 2126 1 4 . 1 1 104 104 GLU C C 104 178.825 178.825 178.679 0.146 18817 2127 1 4 . 1 1 104 104 GLU CA C 104 58.665 58.665 59.317 -0.652 18817 2128 1 4 . 1 1 104 104 GLU CB C 104 27.791 27.791 29.116 -1.325 18817 2129 1 4 . 1 1 104 104 GLU H H 104 8.267 8.267 7.787 0.480 18817 2130 1 4 . 1 1 105 105 GLU N N 105 119.025 119.025 118.879 0.146 18817 2131 1 4 . 1 1 105 105 GLU C C 105 178.532 178.532 178.687 -0.155 18817 2132 1 4 . 1 1 105 105 GLU CA C 105 57.823 57.823 59.155 -1.332 18817 2133 1 4 . 1 1 105 105 GLU CB C 105 28.159 28.159 29.345 -1.186 18817 2134 1 4 . 1 1 105 105 GLU H H 105 8.079 8.079 8.005 0.074 18817 2135 1 4 . 1 1 106 106 SER N N 106 116.209 116.209 114.618 1.591 18817 2136 1 4 . 1 1 106 106 SER C C 106 175.406 175.406 176.277 -0.871 18817 2137 1 4 . 1 1 106 106 SER CA C 106 60.134 60.134 61.243 -1.109 18817 2138 1 4 . 1 1 106 106 SER CB C 106 62.748 62.748 62.815 -0.067 18817 2139 1 4 . 1 1 106 106 SER H H 106 7.942 7.942 7.769 0.173 18817 2140 1 4 . 1 1 107 107 LYS N N 107 121.873 121.873 120.722 1.151 18817 2141 1 4 . 1 1 107 107 LYS C C 107 177.217 177.217 178.158 -0.941 18817 2142 1 4 . 1 1 107 107 LYS CA C 107 59.017 59.017 59.366 -0.349 18817 2143 1 4 . 1 1 107 107 LYS CB C 107 31.428 31.428 32.263 -0.835 18817 2144 1 4 . 1 1 107 107 LYS H H 107 7.917 7.917 7.619 0.298 18817 2145 1 4 . 1 1 108 108 ALA N N 108 121.920 121.920 121.356 0.564 18817 2146 1 4 . 1 1 108 108 ALA C C 108 179.577 179.577 179.627 -0.050 18817 2147 1 4 . 1 1 108 108 ALA CA C 108 54.338 54.338 54.834 -0.496 18817 2148 1 4 . 1 1 108 108 ALA CB C 108 17.570 17.570 18.333 -0.763 18817 2149 1 4 . 1 1 108 108 ALA H H 108 7.956 7.956 7.477 0.479 18817 2150 1 4 . 1 1 109 109 THR N N 109 114.512 114.512 116.115 -1.603 18817 2151 1 4 . 1 1 109 109 THR C C 109 176.373 176.373 176.602 -0.229 18817 2152 1 4 . 1 1 109 109 THR CA C 109 64.381 64.381 66.812 -2.431 18817 2153 1 4 . 1 1 109 109 THR CB C 109 68.652 68.652 68.723 -0.071 18817 2154 1 4 . 1 1 109 109 THR H H 109 7.844 7.844 8.057 -0.213 18817 2155 1 4 . 1 1 110 110 ILE N N 110 122.486 122.486 120.876 1.610 18817 2156 1 4 . 1 1 110 110 ILE C C 110 177.059 177.059 178.022 -0.963 18817 2157 1 4 . 1 1 110 110 ILE CA C 110 64.071 64.071 64.119 -0.048 18817 2158 1 4 . 1 1 110 110 ILE CB C 110 36.915 36.915 36.968 -0.053 18817 2159 1 4 . 1 1 110 110 ILE H H 110 8.000 8.000 8.040 -0.040 18817 2160 1 4 . 1 1 111 111 HIS N N 111 118.524 118.524 117.712 0.812 18817 2161 1 4 . 1 1 111 111 HIS C C 111 176.567 176.567 177.817 -1.250 18817 2162 1 4 . 1 1 111 111 HIS CA C 111 58.118 58.118 58.764 -0.646 18817 2163 1 4 . 1 1 111 111 HIS CB C 111 28.153 28.153 29.488 -1.335 18817 2164 1 4 . 1 1 111 111 HIS H H 111 8.324 8.324 7.624 0.700 18817 2165 1 4 . 1 1 112 112 GLU N N 112 118.814 118.814 119.307 -0.493 18817 2166 1 4 . 1 1 112 112 GLU C C 112 177.683 177.683 178.811 -1.128 18817 2167 1 4 . 1 1 112 112 GLU CA C 112 57.625 57.625 58.888 -1.263 18817 2168 1 4 . 1 1 112 112 GLU CB C 112 28.429 28.429 29.377 -0.948 18817 2169 1 4 . 1 1 112 112 GLU H H 112 8.110 8.110 7.809 0.301 18817 2170 1 4 . 1 1 113 113 ASN N N 113 117.915 117.915 118.095 -0.180 18817 2171 1 4 . 1 1 113 113 ASN C C 113 176.404 176.404 178.037 -1.633 18817 2172 1 4 . 1 1 113 113 ASN CA C 113 54.713 54.713 56.078 -1.365 18817 2173 1 4 . 1 1 113 113 ASN CB C 113 38.811 38.811 38.388 0.423 18817 2174 1 4 . 1 1 113 113 ASN H H 113 7.982 7.982 7.791 0.191 18817 2175 1 4 . 1 1 114 114 ILE N N 114 119.971 119.971 118.755 1.216 18817 2176 1 4 . 1 1 114 114 ILE C C 114 177.039 177.039 177.340 -0.301 18817 2177 1 4 . 1 1 114 114 ILE CA C 114 63.324 63.324 64.124 -0.800 18817 2178 1 4 . 1 1 114 114 ILE CB C 114 37.055 37.055 37.755 -0.700 18817 2179 1 4 . 1 1 114 114 ILE H H 114 8.041 8.041 7.366 0.675 18817 2180 1 4 . 1 1 115 115 GLY N N 115 108.864 108.864 106.897 1.967 18817 2181 1 4 . 1 1 115 115 GLY C C 115 175.204 175.204 174.897 0.307 18817 2182 1 4 . 1 1 115 115 GLY CA C 115 45.868 45.868 45.964 -0.096 18817 2183 1 4 . 1 1 115 115 GLY H H 115 7.977 7.977 7.692 0.285 18817 2184 1 4 . 1 1 116 116 ALA N N 116 123.570 123.570 122.759 0.811 18817 2185 1 4 . 1 1 116 116 ALA HA H 116 4.254 4.254 4.112 0.142 18817 2186 1 4 . 1 1 116 116 ALA C C 116 178.382 178.382 177.681 0.701 18817 2187 1 4 . 1 1 116 116 ALA CA C 116 52.974 52.974 54.215 -1.241 18817 2188 1 4 . 1 1 116 116 ALA CB C 116 18.106 18.106 18.708 -0.602 18817 2189 1 4 . 1 1 116 116 ALA H H 116 7.818 7.818 7.631 0.187 18817 2190 1 4 . 1 1 117 117 ALA N N 117 120.751 120.751 118.383 2.368 18817 2191 1 4 . 1 1 117 117 ALA C C 117 178.099 178.099 178.275 -0.176 18817 2192 1 4 . 1 1 117 117 ALA CA C 117 52.818 52.818 52.405 0.413 18817 2193 1 4 . 1 1 117 117 ALA CB C 117 18.130 18.130 20.453 -2.322 18817 2194 1 4 . 1 1 117 117 ALA H H 117 7.766 7.766 7.558 0.208 18817 2195 1 4 . 1 1 118 118 GLY N N 118 105.627 105.627 107.717 -2.090 18817 2196 1 4 . 1 1 118 118 GLY C C 118 174.144 174.144 174.247 -0.103 18817 2197 1 4 . 1 1 118 118 GLY CA C 118 45.505 45.505 44.809 0.695 18817 2198 1 4 . 1 1 118 118 GLY H H 118 7.885 7.885 7.933 -0.048 18817 2199 1 4 . 1 1 119 119 PHE N N 119 119.825 119.825 121.541 -1.716 18817 2200 1 4 . 1 1 119 119 PHE HA H 119 4.542 4.542 4.740 -0.198 18817 2201 1 4 . 1 1 119 119 PHE C C 119 175.543 175.543 174.694 0.849 18817 2202 1 4 . 1 1 119 119 PHE CA C 119 57.858 57.858 57.363 0.495 18817 2203 1 4 . 1 1 119 119 PHE CB C 119 38.866 38.866 40.467 -1.601 18817 2204 1 4 . 1 1 119 119 PHE H H 119 7.730 7.730 8.115 -0.385 18817 2205 1 4 . 1 1 120 120 LYS N N 120 122.164 122.164 122.966 -0.802 18817 2206 1 4 . 1 1 120 120 LYS C C 120 175.748 175.748 176.099 -0.351 18817 2207 1 4 . 1 1 120 120 LYS CA C 120 55.644 55.644 56.784 -1.140 18817 2208 1 4 . 1 1 120 120 LYS CB C 120 32.442 32.442 32.980 -0.538 18817 2209 1 4 . 1 1 120 120 LYS H H 120 7.897 7.897 8.032 -0.135 18817 2210 1 4 . 1 1 121 121 MET N N 121 119.305 119.305 124.001 -4.696 18817 2211 1 4 . 1 1 121 121 MET HA H 121 4.481 4.481 4.504 -0.023 18817 2212 1 4 . 1 1 121 121 MET C C 121 175.641 175.641 176.264 -0.623 18817 2213 1 4 . 1 1 121 121 MET CA C 121 54.851 54.851 55.042 -0.191 18817 2214 1 4 . 1 1 121 121 MET CB C 121 32.855 32.855 33.378 -0.523 18817 2215 1 4 . 1 1 121 121 MET H H 121 7.937 7.937 8.341 -0.404 18817 2216 1 4 . 1 1 122 122 SER N N 122 117.184 117.184 121.633 -4.449 18817 2217 1 4 . 1 1 122 122 SER C C 122 173.619 173.619 173.546 0.073 18817 2218 1 4 . 1 1 122 122 SER CA C 122 57.625 57.625 56.874 0.751 18817 2219 1 4 . 1 1 122 122 SER CB C 122 62.847 62.847 62.853 -0.006 18817 2220 1 4 . 1 1 122 122 SER H H 122 8.052 8.052 8.488 -0.436 18817 2221 1 5 . 1 1 2 2 SER C C 2 172.027 172.027 176.014 -3.987 18817 2222 1 5 . 1 1 2 2 SER CA C 2 56.474 56.474 57.758 -1.284 18817 2223 1 5 . 1 1 2 2 SER CB C 2 63.484 63.484 65.413 -1.929 18817 2224 1 5 . 1 1 3 3 THR N N 3 119.004 119.004 117.880 1.124 18817 2225 1 5 . 1 1 3 3 THR C C 3 175.867 175.867 176.264 -0.397 18817 2226 1 5 . 1 1 3 3 THR CA C 3 65.068 65.068 64.834 0.234 18817 2227 1 5 . 1 1 3 3 THR CB C 3 68.441 68.441 68.724 -0.283 18817 2228 1 5 . 1 1 3 3 THR H H 3 8.964 8.964 8.736 0.228 18817 2229 1 5 . 1 1 4 4 LEU N N 4 121.518 121.518 122.484 -0.966 18817 2230 1 5 . 1 1 4 4 LEU C C 4 178.886 178.886 178.735 0.151 18817 2231 1 5 . 1 1 4 4 LEU CA C 4 57.246 57.246 57.432 -0.186 18817 2232 1 5 . 1 1 4 4 LEU CB C 4 40.645 40.645 41.580 -0.935 18817 2233 1 5 . 1 1 4 4 LEU H H 4 8.487 8.487 7.748 0.739 18817 2234 1 5 . 1 1 5 5 SER N N 5 117.162 117.162 113.439 3.723 18817 2235 1 5 . 1 1 5 5 SER C C 5 176.676 176.676 176.591 0.085 18817 2236 1 5 . 1 1 5 5 SER CA C 5 60.827 60.827 61.162 -0.335 18817 2237 1 5 . 1 1 5 5 SER CB C 5 61.776 61.776 62.925 -1.149 18817 2238 1 5 . 1 1 5 5 SER H H 5 8.289 8.289 8.365 -0.076 18817 2239 1 5 . 1 1 6 6 ASN N N 6 122.387 122.387 120.200 2.187 18817 2240 1 5 . 1 1 6 6 ASN HA H 6 4.230 4.230 4.738 -0.508 18817 2241 1 5 . 1 1 6 6 ASN C C 6 177.833 177.833 177.813 0.020 18817 2242 1 5 . 1 1 6 6 ASN CA C 6 55.400 55.400 55.649 -0.249 18817 2243 1 5 . 1 1 6 6 ASN CB C 6 37.348 37.348 38.190 -0.842 18817 2244 1 5 . 1 1 6 6 ASN H H 6 8.160 8.160 7.710 0.450 18817 2245 1 5 . 1 1 7 7 PHE N N 7 121.724 121.724 118.901 2.823 18817 2246 1 5 . 1 1 7 7 PHE C C 7 177.171 177.171 177.937 -0.766 18817 2247 1 5 . 1 1 7 7 PHE CA C 7 60.731 60.731 59.439 1.292 18817 2248 1 5 . 1 1 7 7 PHE CB C 7 38.693 38.693 38.588 0.105 18817 2249 1 5 . 1 1 7 7 PHE H H 7 8.254 8.254 8.067 0.187 18817 2250 1 5 . 1 1 8 8 THR N N 8 113.736 113.736 115.837 -2.101 18817 2251 1 5 . 1 1 8 8 THR HA H 8 4.278 4.278 3.982 0.296 18817 2252 1 5 . 1 1 8 8 THR C C 8 176.016 176.016 176.602 -0.586 18817 2253 1 5 . 1 1 8 8 THR CA C 8 66.400 66.400 67.349 -0.949 18817 2254 1 5 . 1 1 8 8 THR CB C 8 67.084 67.084 68.496 -1.412 18817 2255 1 5 . 1 1 8 8 THR H H 8 8.399 8.399 8.108 0.291 18817 2256 1 5 . 1 1 9 9 GLN N N 9 121.349 121.349 120.085 1.264 18817 2257 1 5 . 1 1 9 9 GLN C C 9 178.464 178.464 178.413 0.051 18817 2258 1 5 . 1 1 9 9 GLN CA C 9 58.448 58.448 59.364 -0.916 18817 2259 1 5 . 1 1 9 9 GLN CB C 9 27.564 27.564 28.217 -0.653 18817 2260 1 5 . 1 1 9 9 GLN H H 9 7.942 7.942 7.679 0.263 18817 2261 1 5 . 1 1 10 10 THR N N 10 117.451 117.451 116.107 1.344 18817 2262 1 5 . 1 1 10 10 THR HA H 10 4.278 4.278 4.048 0.230 18817 2263 1 5 . 1 1 10 10 THR C C 10 176.380 176.380 176.476 -0.096 18817 2264 1 5 . 1 1 10 10 THR CA C 10 66.353 66.353 65.737 0.616 18817 2265 1 5 . 1 1 10 10 THR CB C 10 67.910 67.910 68.436 -0.526 18817 2266 1 5 . 1 1 10 10 THR H H 10 7.767 7.767 7.445 0.322 18817 2267 1 5 . 1 1 11 11 LEU N N 11 121.448 121.448 122.942 -1.494 18817 2268 1 5 . 1 1 11 11 LEU C C 11 178.255 178.255 178.342 -0.087 18817 2269 1 5 . 1 1 11 11 LEU CA C 11 57.614 57.614 58.221 -0.607 18817 2270 1 5 . 1 1 11 11 LEU CB C 11 40.574 40.574 41.953 -1.379 18817 2271 1 5 . 1 1 11 11 LEU H H 11 7.958 7.958 7.768 0.191 18817 2272 1 5 . 1 1 12 12 GLU N N 12 117.911 117.911 119.089 -1.178 18817 2273 1 5 . 1 1 12 12 GLU C C 12 177.809 177.809 178.739 -0.930 18817 2274 1 5 . 1 1 12 12 GLU CA C 12 59.675 59.675 60.262 -0.587 18817 2275 1 5 . 1 1 12 12 GLU CB C 12 27.358 27.358 29.042 -1.684 18817 2276 1 5 . 1 1 12 12 GLU H H 12 8.206 8.206 8.673 -0.467 18817 2277 1 5 . 1 1 13 13 ASP C C 13 178.880 178.880 178.328 0.552 18817 2278 1 5 . 1 1 13 13 ASP CA C 13 58.468 58.468 57.438 1.030 18817 2279 1 5 . 1 1 13 13 ASP CB C 13 40.613 40.613 40.483 0.130 18817 2280 1 5 . 1 1 14 14 VAL N N 14 118.703 118.703 119.643 -0.940 18817 2281 1 5 . 1 1 14 14 VAL C C 14 177.885 177.885 178.140 -0.255 18817 2282 1 5 . 1 1 14 14 VAL CA C 14 66.212 66.212 64.748 1.464 18817 2283 1 5 . 1 1 14 14 VAL CB C 14 30.614 30.614 31.300 -0.686 18817 2284 1 5 . 1 1 14 14 VAL H H 14 8.943 8.943 7.466 1.477 18817 2285 1 5 . 1 1 15 15 PHE N N 15 118.897 118.897 120.798 -1.901 18817 2286 1 5 . 1 1 15 15 PHE C C 15 177.542 177.542 177.667 -0.125 18817 2287 1 5 . 1 1 15 15 PHE CA C 15 61.165 61.165 62.239 -1.074 18817 2288 1 5 . 1 1 15 15 PHE CB C 15 37.723 37.723 38.916 -1.193 18817 2289 1 5 . 1 1 15 15 PHE H H 15 8.379 8.379 8.853 -0.474 18817 2290 1 5 . 1 1 16 16 ARG N N 16 119.285 119.285 119.448 -0.163 18817 2291 1 5 . 1 1 16 16 ARG C C 16 177.852 177.852 178.542 -0.690 18817 2292 1 5 . 1 1 16 16 ARG CA C 16 59.972 59.972 60.318 -0.346 18817 2293 1 5 . 1 1 16 16 ARG CB C 16 29.491 29.491 30.034 -0.543 18817 2294 1 5 . 1 1 16 16 ARG H H 16 8.455 8.455 8.810 -0.355 18817 2295 1 5 . 1 1 17 17 ARG N N 17 117.721 117.721 119.028 -1.307 18817 2296 1 5 . 1 1 17 17 ARG C C 17 179.606 179.606 178.926 0.680 18817 2297 1 5 . 1 1 17 17 ARG CA C 17 58.965 58.965 59.053 -0.088 18817 2298 1 5 . 1 1 17 17 ARG CB C 17 29.220 29.220 30.194 -0.974 18817 2299 1 5 . 1 1 17 17 ARG H H 17 7.816 7.816 7.579 0.237 18817 2300 1 5 . 1 1 18 18 ILE N N 18 121.097 121.097 121.061 0.036 18817 2301 1 5 . 1 1 18 18 ILE C C 18 177.115 177.115 178.201 -1.086 18817 2302 1 5 . 1 1 18 18 ILE CA C 18 64.570 64.570 65.372 -0.802 18817 2303 1 5 . 1 1 18 18 ILE CB C 18 37.150 37.150 37.724 -0.574 18817 2304 1 5 . 1 1 18 18 ILE H H 18 8.180 8.180 8.202 -0.022 18817 2305 1 5 . 1 1 19 19 PHE N N 19 120.545 120.545 121.544 -0.999 18817 2306 1 5 . 1 1 19 19 PHE C C 19 177.154 177.154 177.436 -0.282 18817 2307 1 5 . 1 1 19 19 PHE CA C 19 61.665 61.665 63.088 -1.423 18817 2308 1 5 . 1 1 19 19 PHE CB C 19 38.609 38.609 39.762 -1.153 18817 2309 1 5 . 1 1 19 19 PHE H H 19 8.407 8.407 8.728 -0.321 18817 2310 1 5 . 1 1 20 20 ILE N N 20 118.206 118.206 119.446 -1.240 18817 2311 1 5 . 1 1 20 20 ILE C C 20 177.915 177.915 178.612 -0.697 18817 2312 1 5 . 1 1 20 20 ILE CA C 20 63.965 63.965 64.966 -1.001 18817 2313 1 5 . 1 1 20 20 ILE CB C 20 36.828 36.828 36.964 -0.136 18817 2314 1 5 . 1 1 20 20 ILE H H 20 8.350 8.350 7.987 0.363 18817 2315 1 5 . 1 1 21 21 THR N N 21 116.423 116.423 115.910 0.513 18817 2316 1 5 . 1 1 21 21 THR C C 21 176.419 176.419 176.327 0.092 18817 2317 1 5 . 1 1 21 21 THR CA C 21 66.069 66.069 66.827 -0.758 18817 2318 1 5 . 1 1 21 21 THR CB C 21 68.168 68.168 69.046 -0.878 18817 2319 1 5 . 1 1 21 21 THR H H 21 7.692 7.692 8.629 -0.937 18817 2320 1 5 . 1 1 22 22 TYR N N 22 121.108 121.108 122.933 -1.825 18817 2321 1 5 . 1 1 22 22 TYR C C 22 177.398 177.398 177.249 0.149 18817 2322 1 5 . 1 1 22 22 TYR CA C 22 60.953 60.953 61.345 -0.392 18817 2323 1 5 . 1 1 22 22 TYR CB C 22 37.643 37.643 38.681 -1.038 18817 2324 1 5 . 1 1 22 22 TYR H H 22 8.028 8.028 8.425 -0.397 18817 2325 1 5 . 1 1 23 23 MET N N 23 118.337 118.337 117.692 0.645 18817 2326 1 5 . 1 1 23 23 MET C C 23 178.156 178.156 177.920 0.236 18817 2327 1 5 . 1 1 23 23 MET CA C 23 57.078 57.078 57.774 -0.696 18817 2328 1 5 . 1 1 23 23 MET CB C 23 30.583 30.583 31.845 -1.262 18817 2329 1 5 . 1 1 23 23 MET H H 23 8.135 8.135 8.731 -0.596 18817 2330 1 5 . 1 1 24 24 ASP N N 24 118.883 118.883 119.631 -0.748 18817 2331 1 5 . 1 1 24 24 ASP C C 24 177.682 177.682 178.865 -1.183 18817 2332 1 5 . 1 1 24 24 ASP CA C 24 56.222 56.222 57.282 -1.060 18817 2333 1 5 . 1 1 24 24 ASP CB C 24 39.820 39.820 40.520 -0.700 18817 2334 1 5 . 1 1 24 24 ASP H H 24 8.208 8.208 7.930 0.278 18817 2335 1 5 . 1 1 25 25 ASN N N 25 116.989 116.989 119.011 -2.022 18817 2336 1 5 . 1 1 25 25 ASN C C 25 176.452 176.452 177.657 -1.205 18817 2337 1 5 . 1 1 25 25 ASN CA C 25 54.859 54.859 55.680 -0.821 18817 2338 1 5 . 1 1 25 25 ASN CB C 25 38.679 38.679 38.071 0.608 18817 2339 1 5 . 1 1 25 25 ASN H H 25 7.746 7.746 7.813 -0.067 18817 2340 1 5 . 1 1 26 26 TRP N N 26 120.811 120.811 120.858 -0.047 18817 2341 1 5 . 1 1 26 26 TRP C C 26 177.694 177.694 178.522 -0.828 18817 2342 1 5 . 1 1 26 26 TRP CA C 26 58.922 58.922 61.034 -2.112 18817 2343 1 5 . 1 1 26 26 TRP CB C 26 28.772 28.772 29.320 -0.548 18817 2344 1 5 . 1 1 26 26 TRP H H 26 7.951 7.951 7.236 0.715 18817 2345 1 5 . 1 1 27 27 ARG N N 27 119.926 119.926 119.754 0.172 18817 2346 1 5 . 1 1 27 27 ARG C C 27 177.355 177.355 178.343 -0.988 18817 2347 1 5 . 1 1 27 27 ARG CA C 27 57.844 57.844 59.041 -1.197 18817 2348 1 5 . 1 1 27 27 ARG CB C 27 29.249 29.249 29.735 -0.486 18817 2349 1 5 . 1 1 27 27 ARG H H 27 7.971 7.971 8.002 -0.031 18817 2350 1 5 . 1 1 28 28 GLN N N 28 118.022 118.022 116.500 1.522 18817 2351 1 5 . 1 1 28 28 GLN C C 28 176.547 176.547 177.050 -0.503 18817 2352 1 5 . 1 1 28 28 GLN CA C 28 56.751 56.751 58.470 -1.719 18817 2353 1 5 . 1 1 28 28 GLN CB C 28 28.167 28.167 28.561 -0.394 18817 2354 1 5 . 1 1 28 28 GLN H H 28 7.868 7.868 7.942 -0.074 18817 2355 1 5 . 1 1 29 29 ASN N N 29 118.257 118.257 115.414 2.843 18817 2356 1 5 . 1 1 29 29 ASN C C 29 175.576 175.576 176.777 -1.201 18817 2357 1 5 . 1 1 29 29 ASN CA C 29 53.311 53.311 54.569 -1.258 18817 2358 1 5 . 1 1 29 29 ASN CB C 29 38.530 38.530 38.575 -0.045 18817 2359 1 5 . 1 1 29 29 ASN H H 29 7.915 7.915 7.850 0.065 18817 2360 1 5 . 1 1 30 30 THR N N 30 113.464 113.464 116.728 -3.264 18817 2361 1 5 . 1 1 30 30 THR HA H 30 4.348 4.348 4.140 0.208 18817 2362 1 5 . 1 1 30 30 THR C C 30 175.453 175.453 176.494 -1.041 18817 2363 1 5 . 1 1 30 30 THR CA C 30 62.528 62.528 65.750 -3.222 18817 2364 1 5 . 1 1 30 30 THR CB C 30 69.103 69.103 68.627 0.475 18817 2365 1 5 . 1 1 30 30 THR H H 30 7.840 7.840 7.569 0.271 18817 2366 1 5 . 1 1 31 31 THR N N 31 116.868 116.868 117.712 -0.844 18817 2367 1 5 . 1 1 31 31 THR C C 31 175.450 175.450 176.102 -0.652 18817 2368 1 5 . 1 1 31 31 THR CA C 31 63.705 63.705 65.942 -2.237 18817 2369 1 5 . 1 1 31 31 THR CB C 31 69.132 69.132 67.907 1.225 18817 2370 1 5 . 1 1 31 31 THR H H 31 7.955 7.955 7.693 0.262 18817 2371 1 5 . 1 1 32 32 ALA N N 32 124.803 124.803 123.534 1.269 18817 2372 1 5 . 1 1 32 32 ALA C C 32 179.686 179.686 179.606 0.080 18817 2373 1 5 . 1 1 32 32 ALA CA C 32 53.748 53.748 54.770 -1.022 18817 2374 1 5 . 1 1 32 32 ALA CB C 32 17.669 17.669 17.791 -0.122 18817 2375 1 5 . 1 1 32 32 ALA H H 32 8.226 8.226 7.684 0.542 18817 2376 1 5 . 1 1 33 33 GLU N N 33 118.847 118.847 118.832 0.015 18817 2377 1 5 . 1 1 33 33 GLU C C 33 177.525 177.525 178.598 -1.073 18817 2378 1 5 . 1 1 33 33 GLU CA C 33 58.026 58.026 59.406 -1.380 18817 2379 1 5 . 1 1 33 33 GLU CB C 33 27.793 27.793 29.389 -1.596 18817 2380 1 5 . 1 1 33 33 GLU H H 33 8.153 8.153 7.941 0.212 18817 2381 1 5 . 1 1 34 34 GLN N N 34 119.840 119.840 118.673 1.167 18817 2382 1 5 . 1 1 34 34 GLN C C 34 177.628 177.628 178.145 -0.517 18817 2383 1 5 . 1 1 34 34 GLN CA C 34 57.976 57.976 58.628 -0.652 18817 2384 1 5 . 1 1 34 34 GLN CB C 34 27.786 27.786 28.360 -0.574 18817 2385 1 5 . 1 1 34 34 GLN H H 34 8.109 8.109 7.733 0.376 18817 2386 1 5 . 1 1 35 35 GLU N N 35 119.894 119.894 119.272 0.622 18817 2387 1 5 . 1 1 35 35 GLU C C 35 178.149 178.149 178.414 -0.265 18817 2388 1 5 . 1 1 35 35 GLU CA C 35 58.160 58.160 59.365 -1.205 18817 2389 1 5 . 1 1 35 35 GLU CB C 35 28.337 28.337 29.294 -0.957 18817 2390 1 5 . 1 1 35 35 GLU H H 35 8.170 8.170 8.041 0.129 18817 2391 1 5 . 1 1 36 36 ALA N N 36 123.045 123.045 120.817 2.228 18817 2392 1 5 . 1 1 36 36 ALA C C 36 179.303 179.303 179.612 -0.309 18817 2393 1 5 . 1 1 36 36 ALA CA C 36 53.615 53.615 54.991 -1.376 18817 2394 1 5 . 1 1 36 36 ALA CB C 36 17.788 17.788 18.248 -0.460 18817 2395 1 5 . 1 1 36 36 ALA H H 36 7.884 7.884 7.709 0.175 18817 2396 1 5 . 1 1 37 37 LEU N N 37 119.469 119.469 119.371 0.098 18817 2397 1 5 . 1 1 37 37 LEU C C 37 178.226 178.226 178.928 -0.702 18817 2398 1 5 . 1 1 37 37 LEU CA C 37 56.671 56.671 57.500 -0.829 18817 2399 1 5 . 1 1 37 37 LEU CB C 37 40.965 40.965 42.003 -1.038 18817 2400 1 5 . 1 1 37 37 LEU H H 37 7.907 7.907 7.523 0.384 18817 2401 1 5 . 1 1 38 38 GLN N N 38 118.655 118.655 117.669 0.986 18817 2402 1 5 . 1 1 38 38 GLN C C 38 176.775 176.775 178.320 -1.545 18817 2403 1 5 . 1 1 38 38 GLN CA C 38 57.420 57.420 58.745 -1.325 18817 2404 1 5 . 1 1 38 38 GLN CB C 38 28.042 28.042 28.294 -0.252 18817 2405 1 5 . 1 1 38 38 GLN H H 38 8.097 8.097 8.356 -0.259 18817 2406 1 5 . 1 1 39 39 ALA N N 39 121.284 121.284 120.511 0.773 18817 2407 1 5 . 1 1 39 39 ALA C C 39 178.516 178.516 178.577 -0.061 18817 2408 1 5 . 1 1 39 39 ALA CA C 39 53.221 53.221 54.410 -1.188 18817 2409 1 5 . 1 1 39 39 ALA CB C 39 18.032 18.032 18.585 -0.553 18817 2410 1 5 . 1 1 39 39 ALA H H 39 7.724 7.724 7.564 0.160 18817 2411 1 5 . 1 1 40 40 LYS N N 40 118.343 118.343 117.059 1.284 18817 2412 1 5 . 1 1 40 40 LYS C C 40 176.835 176.835 177.985 -1.150 18817 2413 1 5 . 1 1 40 40 LYS CA C 40 56.436 56.436 57.049 -0.613 18817 2414 1 5 . 1 1 40 40 LYS CB C 40 32.005 32.005 33.532 -1.527 18817 2415 1 5 . 1 1 40 40 LYS H H 40 7.702 7.702 7.491 0.211 18817 2416 1 5 . 1 1 41 41 VAL N N 41 118.825 118.825 119.118 -0.293 18817 2417 1 5 . 1 1 41 41 VAL C C 41 175.383 175.383 176.725 -1.342 18817 2418 1 5 . 1 1 41 41 VAL CA C 41 62.305 62.305 65.746 -3.441 18817 2419 1 5 . 1 1 41 41 VAL CB C 41 31.695 31.695 31.729 -0.034 18817 2420 1 5 . 1 1 41 41 VAL H H 41 7.723 7.723 8.375 -0.652 18817 2421 1 5 . 1 1 42 42 ASP N N 42 122.980 122.980 118.721 4.259 18817 2422 1 5 . 1 1 42 42 ASP HA H 42 4.323 4.323 4.510 -0.187 18817 2423 1 5 . 1 1 42 42 ASP C C 42 176.128 176.128 175.924 0.204 18817 2424 1 5 . 1 1 42 42 ASP CA C 42 53.641 53.641 54.236 -0.595 18817 2425 1 5 . 1 1 42 42 ASP CB C 42 40.281 40.281 38.314 1.967 18817 2426 1 5 . 1 1 42 42 ASP H H 42 8.229 8.229 8.394 -0.165 18817 2427 1 5 . 1 1 43 43 ALA N N 43 123.146 123.146 122.803 0.343 18817 2428 1 5 . 1 1 43 43 ALA C C 43 178.308 178.308 178.202 0.106 18817 2429 1 5 . 1 1 43 43 ALA CA C 43 53.366 53.366 54.272 -0.906 18817 2430 1 5 . 1 1 43 43 ALA CB C 43 18.215 18.215 18.713 -0.498 18817 2431 1 5 . 1 1 43 43 ALA H H 43 8.095 8.095 7.578 0.517 18817 2432 1 5 . 1 1 44 44 GLU N N 44 117.625 117.625 117.018 0.607 18817 2433 1 5 . 1 1 44 44 GLU C C 44 176.974 176.974 177.361 -0.387 18817 2434 1 5 . 1 1 44 44 GLU CA C 44 57.011 57.011 57.979 -0.968 18817 2435 1 5 . 1 1 44 44 GLU CB C 44 28.434 28.434 29.662 -1.228 18817 2436 1 5 . 1 1 44 44 GLU H H 44 8.173 8.173 8.510 -0.337 18817 2437 1 5 . 1 1 45 45 ASN N N 45 117.214 117.214 119.185 -1.971 18817 2438 1 5 . 1 1 45 45 ASN C C 45 176.652 176.652 176.093 0.559 18817 2439 1 5 . 1 1 45 45 ASN CA C 45 53.544 53.544 52.089 1.456 18817 2440 1 5 . 1 1 45 45 ASN CB C 45 38.334 38.334 37.911 0.423 18817 2441 1 5 . 1 1 45 45 ASN H H 45 8.059 8.059 7.545 0.514 18817 2442 1 5 . 1 1 46 46 PHE N N 46 120.987 120.987 123.818 -2.831 18817 2443 1 5 . 1 1 46 46 PHE C C 46 176.975 176.975 177.660 -0.685 18817 2444 1 5 . 1 1 46 46 PHE CA C 46 60.113 60.113 61.978 -1.865 18817 2445 1 5 . 1 1 46 46 PHE CB C 46 38.290 38.290 39.258 -0.968 18817 2446 1 5 . 1 1 46 46 PHE H H 46 8.163 8.163 8.094 0.069 18817 2447 1 5 . 1 1 47 47 TYR N N 47 116.519 116.519 119.412 -2.893 18817 2448 1 5 . 1 1 47 47 TYR C C 47 176.063 176.063 177.195 -1.132 18817 2449 1 5 . 1 1 47 47 TYR CA C 47 60.569 60.569 61.230 -0.661 18817 2450 1 5 . 1 1 47 47 TYR CB C 47 36.886 36.886 38.066 -1.180 18817 2451 1 5 . 1 1 47 47 TYR H H 47 7.417 7.417 8.217 -0.800 18817 2452 1 5 . 1 1 48 48 TYR N N 48 116.519 116.519 119.764 -3.245 18817 2453 1 5 . 1 1 48 48 TYR C C 48 177.063 177.063 177.511 -0.448 18817 2454 1 5 . 1 1 48 48 TYR CA C 48 60.569 60.569 61.890 -1.321 18817 2455 1 5 . 1 1 48 48 TYR CB C 48 36.886 36.886 38.240 -1.354 18817 2456 1 5 . 1 1 48 48 TYR H H 48 7.417 7.417 8.598 -1.181 18817 2457 1 5 . 1 1 49 49 VAL N N 49 118.292 118.292 119.347 -1.055 18817 2458 1 5 . 1 1 49 49 VAL C C 49 177.154 177.154 177.858 -0.704 18817 2459 1 5 . 1 1 49 49 VAL CA C 49 66.194 66.194 66.822 -0.628 18817 2460 1 5 . 1 1 49 49 VAL CB C 49 30.389 30.389 31.515 -1.126 18817 2461 1 5 . 1 1 49 49 VAL H H 49 7.439 7.439 8.385 -0.946 18817 2462 1 5 . 1 1 50 50 ILE N N 50 117.581 117.581 117.751 -0.170 18817 2463 1 5 . 1 1 50 50 ILE C C 50 177.307 177.307 177.120 0.187 18817 2464 1 5 . 1 1 50 50 ILE CA C 50 63.876 63.876 63.683 0.193 18817 2465 1 5 . 1 1 50 50 ILE CB C 50 35.725 35.725 37.578 -1.853 18817 2466 1 5 . 1 1 50 50 ILE H H 50 7.491 7.491 7.291 0.200 18817 2467 1 5 . 1 1 51 51 LEU N N 51 120.363 120.363 121.776 -1.413 18817 2468 1 5 . 1 1 51 51 LEU C C 51 178.335 178.335 178.239 0.096 18817 2469 1 5 . 1 1 51 51 LEU CA C 51 58.042 58.042 58.399 -0.357 18817 2470 1 5 . 1 1 51 51 LEU CB C 51 40.550 40.550 41.762 -1.212 18817 2471 1 5 . 1 1 51 51 LEU H H 51 7.699 7.699 7.418 0.281 18817 2472 1 5 . 1 1 53 53 LEU C C 53 178.638 178.638 178.183 0.455 18817 2473 1 5 . 1 1 53 53 LEU CA C 53 57.795 57.795 58.586 -0.791 18817 2474 1 5 . 1 1 53 53 LEU CB C 53 40.796 40.796 41.833 -1.037 18817 2475 1 5 . 1 1 54 54 MET N N 54 117.957 117.957 117.443 0.514 18817 2476 1 5 . 1 1 54 54 MET C C 54 178.471 178.471 177.912 0.559 18817 2477 1 5 . 1 1 54 54 MET CA C 54 58.432 58.432 58.986 -0.554 18817 2478 1 5 . 1 1 54 54 MET CB C 54 31.395 31.395 32.474 -1.079 18817 2479 1 5 . 1 1 54 54 MET H H 54 8.396 8.396 7.530 0.866 18817 2480 1 5 . 1 1 56 56 MET C C 56 177.895 177.895 178.212 -0.317 18817 2481 1 5 . 1 1 56 56 MET CA C 56 58.793 58.793 59.537 -0.744 18817 2482 1 5 . 1 1 57 57 ILE N N 57 119.111 119.111 117.387 1.724 18817 2483 1 5 . 1 1 57 57 ILE C C 57 179.504 179.504 178.508 0.996 18817 2484 1 5 . 1 1 57 57 ILE CA C 57 64.890 64.890 63.205 1.685 18817 2485 1 5 . 1 1 57 57 ILE CB C 57 36.497 36.497 36.200 0.297 18817 2486 1 5 . 1 1 57 57 ILE H H 57 8.556 8.556 7.600 0.956 18817 2487 1 5 . 1 1 58 58 GLY N N 58 111.097 111.097 106.842 4.255 18817 2488 1 5 . 1 1 58 58 GLY C C 58 174.211 174.211 175.968 -1.757 18817 2489 1 5 . 1 1 58 58 GLY CA C 58 47.038 47.038 47.203 -0.165 18817 2490 1 5 . 1 1 58 58 GLY H H 58 8.745 8.745 7.825 0.920 18817 2491 1 5 . 1 1 59 59 MET N N 59 120.903 120.903 121.986 -1.083 18817 2492 1 5 . 1 1 59 59 MET C C 59 178.075 178.075 177.906 0.169 18817 2493 1 5 . 1 1 59 59 MET CA C 59 58.763 58.763 57.863 0.900 18817 2494 1 5 . 1 1 59 59 MET CB C 59 32.415 32.415 32.509 -0.094 18817 2495 1 5 . 1 1 59 59 MET H H 59 8.612 8.612 7.531 1.081 18817 2496 1 5 . 1 1 60 60 PHE N N 60 117.888 117.888 118.361 -0.473 18817 2497 1 5 . 1 1 60 60 PHE C C 60 177.292 177.292 177.764 -0.472 18817 2498 1 5 . 1 1 60 60 PHE CA C 60 60.486 60.486 61.305 -0.819 18817 2499 1 5 . 1 1 60 60 PHE CB C 60 38.213 38.213 38.595 -0.382 18817 2500 1 5 . 1 1 60 60 PHE H H 60 8.495 8.495 8.173 0.322 18817 2501 1 5 . 1 1 61 61 SER N N 61 115.530 115.530 115.723 -0.193 18817 2502 1 5 . 1 1 61 61 SER C C 61 175.141 175.141 177.059 -1.918 18817 2503 1 5 . 1 1 61 61 SER CA C 61 63.198 63.198 61.289 1.909 18817 2504 1 5 . 1 1 61 61 SER CB C 61 62.050 62.050 63.221 -1.171 18817 2505 1 5 . 1 1 61 61 SER H H 61 8.338 8.338 7.908 0.430 18817 2506 1 5 . 1 1 62 62 PHE N N 62 121.237 121.237 124.045 -2.808 18817 2507 1 5 . 1 1 62 62 PHE C C 62 176.761 176.761 177.119 -0.358 18817 2508 1 5 . 1 1 62 62 PHE CA C 62 60.791 60.791 60.352 0.439 18817 2509 1 5 . 1 1 62 62 PHE CB C 62 38.124 38.124 39.060 -0.936 18817 2510 1 5 . 1 1 62 62 PHE H H 62 8.077 8.077 8.166 -0.089 18817 2511 1 5 . 1 1 64 64 ILE N N 64 118.608 118.608 119.997 -1.389 18817 2512 1 5 . 1 1 64 64 ILE C C 64 177.805 177.805 177.829 -0.024 18817 2513 1 5 . 1 1 64 64 ILE CA C 64 64.465 64.465 65.839 -1.374 18817 2514 1 5 . 1 1 64 64 ILE CB C 64 35.984 35.984 37.786 -1.802 18817 2515 1 5 . 1 1 64 64 ILE H H 64 7.956 7.956 7.818 0.138 18817 2516 1 5 . 1 1 65 65 VAL N N 65 119.395 119.395 118.812 0.583 18817 2517 1 5 . 1 1 65 65 VAL C C 65 177.045 177.045 176.985 0.060 18817 2518 1 5 . 1 1 65 65 VAL CA C 65 66.773 66.773 65.795 0.978 18817 2519 1 5 . 1 1 65 65 VAL CB C 65 30.099 30.099 31.684 -1.585 18817 2520 1 5 . 1 1 65 65 VAL H H 65 8.137 8.137 7.859 0.278 18817 2521 1 5 . 1 1 67 67 ILE C C 67 179.153 179.153 177.742 1.411 18817 2522 1 5 . 1 1 67 67 ILE CA C 67 64.933 64.933 64.671 0.262 18817 2523 1 5 . 1 1 67 67 ILE CB C 67 36.977 36.977 37.696 -0.719 18817 2524 1 5 . 1 1 68 68 LEU N N 68 123.998 123.998 121.800 2.198 18817 2525 1 5 . 1 1 68 68 LEU HA H 68 4.301 4.301 4.082 0.219 18817 2526 1 5 . 1 1 68 68 LEU CA C 68 58.529 58.529 58.049 0.480 18817 2527 1 5 . 1 1 68 68 LEU CB C 68 40.768 40.768 40.666 0.102 18817 2528 1 5 . 1 1 68 68 LEU H H 68 8.540 8.540 7.497 1.043 18817 2529 1 5 . 1 1 69 69 VAL N N 69 120.584 120.584 118.443 2.141 18817 2530 1 5 . 1 1 69 69 VAL C C 69 177.859 177.859 178.375 -0.516 18817 2531 1 5 . 1 1 69 69 VAL CA C 69 65.949 65.949 67.290 -1.341 18817 2532 1 5 . 1 1 69 69 VAL CB C 69 30.847 30.847 30.673 0.174 18817 2533 1 5 . 1 1 69 69 VAL H H 69 8.173 8.173 7.973 0.200 18817 2534 1 5 . 1 1 70 70 SER N N 70 114.121 114.121 115.278 -1.157 18817 2535 1 5 . 1 1 70 70 SER CA C 70 61.630 61.630 62.397 -0.767 18817 2536 1 5 . 1 1 70 70 SER CB C 70 62.527 62.527 63.019 -0.492 18817 2537 1 5 . 1 1 70 70 SER H H 70 7.898 7.898 7.803 0.095 18817 2538 1 5 . 1 1 71 71 THR HA H 71 4.300 4.300 4.054 0.246 18817 2539 1 5 . 1 1 71 71 THR C C 71 176.381 176.381 176.522 -0.141 18817 2540 1 5 . 1 1 71 71 THR CA C 71 65.981 65.981 65.556 0.425 18817 2541 1 5 . 1 1 71 71 THR CB C 71 68.416 68.416 68.412 0.004 18817 2542 1 5 . 1 1 72 72 VAL N N 72 121.958 121.958 121.413 0.545 18817 2543 1 5 . 1 1 72 72 VAL C C 72 177.791 177.791 177.992 -0.201 18817 2544 1 5 . 1 1 72 72 VAL CA C 72 65.532 65.532 66.288 -0.756 18817 2545 1 5 . 1 1 72 72 VAL CB C 72 30.882 30.882 31.483 -0.601 18817 2546 1 5 . 1 1 72 72 VAL H H 72 8.092 8.092 8.192 -0.100 18817 2547 1 5 . 1 1 73 73 LYS C C 73 178.310 178.310 179.297 -0.987 18817 2548 1 5 . 1 1 73 73 LYS CA C 73 58.279 58.279 58.664 -0.385 18817 2549 1 5 . 1 1 73 73 LYS CB C 73 31.350 31.350 31.962 -0.612 18817 2550 1 5 . 1 1 74 74 SER N N 74 114.589 114.589 114.061 0.528 18817 2551 1 5 . 1 1 74 74 SER C C 74 175.895 175.895 175.414 0.481 18817 2552 1 5 . 1 1 74 74 SER CA C 74 59.979 59.979 61.226 -1.247 18817 2553 1 5 . 1 1 74 74 SER CB C 74 62.823 62.823 62.934 -0.111 18817 2554 1 5 . 1 1 74 74 SER H H 74 7.816 7.816 8.524 -0.708 18817 2555 1 5 . 1 1 75 75 LYS N N 75 121.984 121.984 121.022 0.962 18817 2556 1 5 . 1 1 75 75 LYS C C 75 177.649 177.649 178.237 -0.588 18817 2557 1 5 . 1 1 75 75 LYS CA C 75 56.892 56.892 58.555 -1.663 18817 2558 1 5 . 1 1 75 75 LYS CB C 75 31.263 31.263 32.420 -1.157 18817 2559 1 5 . 1 1 75 75 LYS H H 75 7.964 7.964 7.479 0.485 18817 2560 1 5 . 1 1 76 76 ARG N N 76 119.656 119.656 117.084 2.572 18817 2561 1 5 . 1 1 76 76 ARG C C 76 177.010 177.010 178.035 -1.025 18817 2562 1 5 . 1 1 76 76 ARG CA C 76 56.671 56.671 57.710 -1.039 18817 2563 1 5 . 1 1 76 76 ARG CB C 76 29.471 29.471 30.120 -0.649 18817 2564 1 5 . 1 1 76 76 ARG H H 76 7.909 7.909 7.755 0.154 18817 2565 1 5 . 1 1 77 77 ARG N N 77 120.815 120.815 115.395 5.420 18817 2566 1 5 . 1 1 77 77 ARG C C 77 176.633 176.633 175.867 0.766 18817 2567 1 5 . 1 1 77 77 ARG CA C 77 56.355 56.355 58.747 -2.392 18817 2568 1 5 . 1 1 77 77 ARG CB C 77 29.718 29.718 28.859 0.859 18817 2569 1 5 . 1 1 77 77 ARG H H 77 7.860 7.860 7.873 -0.013 18817 2570 1 5 . 1 1 78 78 GLU N N 78 120.635 120.635 118.350 2.285 18817 2571 1 5 . 1 1 78 78 GLU C C 78 176.320 176.320 176.945 -0.625 18817 2572 1 5 . 1 1 78 78 GLU CA C 78 56.368 56.368 54.848 1.520 18817 2573 1 5 . 1 1 78 78 GLU CB C 78 29.083 29.083 31.044 -1.961 18817 2574 1 5 . 1 1 78 78 GLU H H 78 8.119 8.119 8.573 -0.454 18817 2575 1 5 . 1 1 79 79 HIS N N 79 117.659 117.659 118.862 -1.203 18817 2576 1 5 . 1 1 79 79 HIS C C 79 174.583 174.583 174.937 -0.354 18817 2577 1 5 . 1 1 79 79 HIS CA C 79 54.918 54.918 54.023 0.895 18817 2578 1 5 . 1 1 79 79 HIS CB C 79 28.249 28.249 26.600 1.649 18817 2579 1 5 . 1 1 79 79 HIS H H 79 8.042 8.042 8.181 -0.139 18817 2580 1 5 . 1 1 80 80 SER N N 80 116.920 116.920 116.136 0.784 18817 2581 1 5 . 1 1 80 80 SER C C 80 174.323 174.323 174.934 -0.611 18817 2582 1 5 . 1 1 80 80 SER CA C 80 58.377 58.377 59.042 -0.665 18817 2583 1 5 . 1 1 80 80 SER CB C 80 63.113 63.113 63.865 -0.752 18817 2584 1 5 . 1 1 80 80 SER H H 80 8.151 8.151 8.260 -0.109 18817 2585 1 5 . 1 1 81 81 ASN N N 81 120.963 120.963 123.049 -2.086 18817 2586 1 5 . 1 1 81 81 ASN C C 81 174.436 174.436 173.976 0.460 18817 2587 1 5 . 1 1 81 81 ASN CA C 81 52.945 52.945 52.853 0.092 18817 2588 1 5 . 1 1 81 81 ASN CB C 81 38.324 38.324 37.892 0.432 18817 2589 1 5 . 1 1 81 81 ASN H H 81 8.411 8.411 8.671 -0.260 18817 2590 1 5 . 1 1 83 83 PRO C C 83 176.072 176.072 175.643 0.429 18817 2591 1 5 . 1 1 83 83 PRO CA C 83 62.420 62.420 62.633 -0.213 18817 2592 1 5 . 1 1 83 83 PRO CB C 83 33.212 33.212 31.889 1.323 18817 2593 1 5 . 1 1 84 84 TYR N N 84 124.146 124.146 119.958 4.188 18817 2594 1 5 . 1 1 84 84 TYR C C 84 176.670 176.670 175.391 1.279 18817 2595 1 5 . 1 1 84 84 TYR CA C 84 55.352 55.352 57.031 -1.679 18817 2596 1 5 . 1 1 84 84 TYR CB C 84 40.958 40.958 39.648 1.310 18817 2597 1 5 . 1 1 84 84 TYR H H 84 8.487 8.487 7.406 1.081 18817 2598 1 5 . 1 1 86 86 GLN C C 86 177.884 177.884 177.895 -0.011 18817 2599 1 5 . 1 1 86 86 GLN CA C 86 59.593 59.593 59.073 0.520 18817 2600 1 5 . 1 1 86 86 GLN CB C 86 27.335 27.335 28.272 -0.937 18817 2601 1 5 . 1 1 87 87 TYR N N 87 119.339 119.339 118.148 1.191 18817 2602 1 5 . 1 1 87 87 TYR C C 87 178.922 178.922 176.722 2.200 18817 2603 1 5 . 1 1 87 87 TYR CA C 87 57.225 57.225 57.914 -0.689 18817 2604 1 5 . 1 1 87 87 TYR CB C 87 40.155 40.155 37.022 3.133 18817 2605 1 5 . 1 1 87 87 TYR H H 87 7.981 7.981 8.198 -0.217 18817 2606 1 5 . 1 1 88 88 ILE C C 88 175.951 175.951 176.857 -0.906 18817 2607 1 5 . 1 1 89 89 VAL N N 89 119.921 119.921 120.692 -0.771 18817 2608 1 5 . 1 1 89 89 VAL C C 89 177.806 177.806 178.062 -0.256 18817 2609 1 5 . 1 1 89 89 VAL CA C 89 63.289 63.289 67.280 -3.991 18817 2610 1 5 . 1 1 89 89 VAL CB C 89 31.247 31.247 31.294 -0.047 18817 2611 1 5 . 1 1 89 89 VAL H H 89 7.397 7.397 7.497 -0.100 18817 2612 1 5 . 1 1 90 90 GLU N N 90 119.266 119.266 119.454 -0.188 18817 2613 1 5 . 1 1 90 90 GLU C C 90 178.316 178.316 178.365 -0.049 18817 2614 1 5 . 1 1 90 90 GLU CA C 90 58.285 58.285 58.599 -0.314 18817 2615 1 5 . 1 1 90 90 GLU CB C 90 31.270 31.270 29.218 2.053 18817 2616 1 5 . 1 1 90 90 GLU H H 90 8.111 8.111 7.626 0.485 18817 2617 1 5 . 1 1 91 91 ASP C C 91 177.542 177.542 178.101 -0.559 18817 2618 1 5 . 1 1 91 91 ASP CA C 91 56.637 56.637 57.840 -1.203 18817 2619 1 5 . 1 1 91 91 ASP CB C 91 38.852 38.852 40.639 -1.787 18817 2620 1 5 . 1 1 92 92 TRP N N 92 120.874 120.874 121.450 -0.576 18817 2621 1 5 . 1 1 92 92 TRP C C 92 177.384 177.384 177.902 -0.518 18817 2622 1 5 . 1 1 92 92 TRP CA C 92 59.510 59.510 61.941 -2.430 18817 2623 1 5 . 1 1 92 92 TRP CB C 92 27.817 27.817 29.496 -1.679 18817 2624 1 5 . 1 1 92 92 TRP H H 92 7.852 7.852 8.011 -0.159 18817 2625 1 5 . 1 1 93 93 GLN N N 93 119.478 119.478 116.321 3.157 18817 2626 1 5 . 1 1 93 93 GLN C C 93 177.653 177.653 178.447 -0.794 18817 2627 1 5 . 1 1 93 93 GLN CA C 93 58.991 58.991 59.008 -0.017 18817 2628 1 5 . 1 1 93 93 GLN CB C 93 27.205 27.205 28.264 -1.059 18817 2629 1 5 . 1 1 93 93 GLN H H 93 8.010 8.010 7.931 0.079 18817 2630 1 5 . 1 1 94 94 GLU N N 94 117.531 117.531 120.579 -3.048 18817 2631 1 5 . 1 1 94 94 GLU C C 94 178.798 178.798 178.631 0.167 18817 2632 1 5 . 1 1 94 94 GLU CA C 94 57.794 57.794 59.028 -1.234 18817 2633 1 5 . 1 1 94 94 GLU CB C 94 28.816 28.816 29.735 -0.919 18817 2634 1 5 . 1 1 94 94 GLU H H 94 7.589 7.589 7.532 0.057 18817 2635 1 5 . 1 1 95 95 LYS N N 95 119.905 119.905 119.144 0.761 18817 2636 1 5 . 1 1 95 95 LYS C C 95 178.416 178.416 178.708 -0.292 18817 2637 1 5 . 1 1 95 95 LYS CA C 95 58.576 58.576 58.650 -0.074 18817 2638 1 5 . 1 1 95 95 LYS CB C 95 32.120 32.120 32.699 -0.579 18817 2639 1 5 . 1 1 95 95 LYS H H 95 7.832 7.832 8.415 -0.583 18817 2640 1 5 . 1 1 96 96 TYR N N 96 117.063 117.063 120.559 -3.496 18817 2641 1 5 . 1 1 96 96 TYR C C 96 176.535 176.535 177.102 -0.567 18817 2642 1 5 . 1 1 96 96 TYR CA C 96 58.804 58.804 61.310 -2.506 18817 2643 1 5 . 1 1 96 96 TYR CB C 96 37.106 37.106 37.773 -0.667 18817 2644 1 5 . 1 1 96 96 TYR H H 96 7.916 7.916 8.321 -0.405 18817 2645 1 5 . 1 1 97 97 LYS N N 97 120.781 120.781 118.355 2.426 18817 2646 1 5 . 1 1 97 97 LYS C C 97 178.281 178.281 178.862 -0.581 18817 2647 1 5 . 1 1 97 97 LYS CA C 97 59.605 59.605 59.361 0.244 18817 2648 1 5 . 1 1 97 97 LYS CB C 97 31.265 31.265 32.119 -0.854 18817 2649 1 5 . 1 1 97 97 LYS H H 97 7.610 7.610 7.596 0.014 18817 2650 1 5 . 1 1 98 98 SER N N 98 113.319 113.319 114.741 -1.422 18817 2651 1 5 . 1 1 98 98 SER C C 98 176.355 176.355 175.901 0.454 18817 2652 1 5 . 1 1 98 98 SER CA C 98 60.840 60.840 61.158 -0.318 18817 2653 1 5 . 1 1 98 98 SER CB C 98 61.944 61.944 62.915 -0.971 18817 2654 1 5 . 1 1 98 98 SER H H 98 8.180 8.180 7.522 0.658 18817 2655 1 5 . 1 1 99 99 GLN N N 99 121.218 121.218 121.710 -0.492 18817 2656 1 5 . 1 1 99 99 GLN C C 99 178.134 178.134 178.437 -0.303 18817 2657 1 5 . 1 1 99 99 GLN CA C 99 58.234 58.234 58.906 -0.672 18817 2658 1 5 . 1 1 99 99 GLN CB C 99 27.521 27.521 28.413 -0.892 18817 2659 1 5 . 1 1 99 99 GLN H H 99 7.822 7.822 7.343 0.479 18817 2660 1 5 . 1 1 100 100 ILE N N 100 119.936 119.936 119.843 0.093 18817 2661 1 5 . 1 1 100 100 ILE C C 100 177.443 177.443 177.492 -0.049 18817 2662 1 5 . 1 1 100 100 ILE CA C 100 63.808 63.808 63.290 0.518 18817 2663 1 5 . 1 1 100 100 ILE CB C 100 36.622 36.622 37.992 -1.370 18817 2664 1 5 . 1 1 100 100 ILE H H 100 7.992 7.992 7.115 0.877 18817 2665 1 5 . 1 1 101 101 LEU N N 101 120.350 120.350 120.797 -0.447 18817 2666 1 5 . 1 1 101 101 LEU C C 101 178.913 178.913 178.385 0.528 18817 2667 1 5 . 1 1 101 101 LEU CA C 101 56.911 56.911 58.291 -1.380 18817 2668 1 5 . 1 1 101 101 LEU CB C 101 40.296 40.296 41.620 -1.324 18817 2669 1 5 . 1 1 101 101 LEU H H 101 7.861 7.861 7.410 0.451 18817 2670 1 5 . 1 1 102 102 ASN N N 102 117.859 117.859 117.400 0.459 18817 2671 1 5 . 1 1 102 102 ASN C C 102 177.647 177.647 177.377 0.270 18817 2672 1 5 . 1 1 102 102 ASN CA C 102 54.937 54.937 55.872 -0.935 18817 2673 1 5 . 1 1 102 102 ASN CB C 102 37.917 37.917 38.236 -0.319 18817 2674 1 5 . 1 1 102 102 ASN H H 102 7.767 7.767 7.984 -0.217 18817 2675 1 5 . 1 1 103 103 LEU N N 103 122.625 122.625 120.241 2.384 18817 2676 1 5 . 1 1 103 103 LEU C C 103 178.656 178.656 178.394 0.262 18817 2677 1 5 . 1 1 103 103 LEU CA C 103 57.339 57.339 57.998 -0.659 18817 2678 1 5 . 1 1 103 103 LEU CB C 103 40.726 40.726 41.940 -1.214 18817 2679 1 5 . 1 1 103 103 LEU H H 103 8.021 8.021 7.356 0.665 18817 2680 1 5 . 1 1 104 104 GLU N N 104 118.900 118.900 118.147 0.753 18817 2681 1 5 . 1 1 104 104 GLU C C 104 178.825 178.825 178.980 -0.155 18817 2682 1 5 . 1 1 104 104 GLU CA C 104 58.665 58.665 59.374 -0.709 18817 2683 1 5 . 1 1 104 104 GLU CB C 104 27.791 27.791 29.162 -1.371 18817 2684 1 5 . 1 1 104 104 GLU H H 104 8.267 8.267 7.625 0.642 18817 2685 1 5 . 1 1 105 105 GLU N N 105 119.025 119.025 119.744 -0.719 18817 2686 1 5 . 1 1 105 105 GLU C C 105 178.532 178.532 178.989 -0.457 18817 2687 1 5 . 1 1 105 105 GLU CA C 105 57.823 57.823 59.010 -1.187 18817 2688 1 5 . 1 1 105 105 GLU CB C 105 28.159 28.159 29.621 -1.462 18817 2689 1 5 . 1 1 105 105 GLU H H 105 8.079 8.079 7.599 0.480 18817 2690 1 5 . 1 1 106 106 SER N N 106 116.209 116.209 115.281 0.928 18817 2691 1 5 . 1 1 106 106 SER C C 106 175.406 175.406 176.343 -0.937 18817 2692 1 5 . 1 1 106 106 SER CA C 106 60.134 60.134 61.120 -0.986 18817 2693 1 5 . 1 1 106 106 SER CB C 106 62.748 62.748 63.015 -0.267 18817 2694 1 5 . 1 1 106 106 SER H H 106 7.942 7.942 8.086 -0.144 18817 2695 1 5 . 1 1 107 107 LYS N N 107 121.873 121.873 122.090 -0.217 18817 2696 1 5 . 1 1 107 107 LYS C C 107 177.217 177.217 178.554 -1.337 18817 2697 1 5 . 1 1 107 107 LYS CA C 107 59.017 59.017 59.264 -0.247 18817 2698 1 5 . 1 1 107 107 LYS CB C 107 31.428 31.428 32.456 -1.028 18817 2699 1 5 . 1 1 107 107 LYS H H 107 7.917 7.917 7.397 0.520 18817 2700 1 5 . 1 1 108 108 ALA N N 108 121.920 121.920 120.088 1.832 18817 2701 1 5 . 1 1 108 108 ALA C C 108 179.577 179.577 179.681 -0.104 18817 2702 1 5 . 1 1 108 108 ALA CA C 108 54.338 54.338 55.436 -1.098 18817 2703 1 5 . 1 1 108 108 ALA CB C 108 17.570 17.570 17.958 -0.388 18817 2704 1 5 . 1 1 108 108 ALA H H 108 7.956 7.956 7.726 0.230 18817 2705 1 5 . 1 1 109 109 THR N N 109 114.512 114.512 115.893 -1.381 18817 2706 1 5 . 1 1 109 109 THR C C 109 176.373 176.373 176.580 -0.207 18817 2707 1 5 . 1 1 109 109 THR CA C 109 64.381 64.381 66.719 -2.338 18817 2708 1 5 . 1 1 109 109 THR CB C 109 68.652 68.652 68.459 0.193 18817 2709 1 5 . 1 1 109 109 THR H H 109 7.844 7.844 7.411 0.433 18817 2710 1 5 . 1 1 110 110 ILE N N 110 122.486 122.486 121.921 0.565 18817 2711 1 5 . 1 1 110 110 ILE C C 110 177.059 177.059 177.616 -0.557 18817 2712 1 5 . 1 1 110 110 ILE CA C 110 64.071 64.071 65.348 -1.277 18817 2713 1 5 . 1 1 110 110 ILE CB C 110 36.915 36.915 37.744 -0.829 18817 2714 1 5 . 1 1 110 110 ILE H H 110 8.000 8.000 7.517 0.483 18817 2715 1 5 . 1 1 111 111 HIS N N 111 118.524 118.524 118.731 -0.207 18817 2716 1 5 . 1 1 111 111 HIS C C 111 176.567 176.567 177.314 -0.747 18817 2717 1 5 . 1 1 111 111 HIS CA C 111 58.118 58.118 59.848 -1.730 18817 2718 1 5 . 1 1 111 111 HIS CB C 111 28.153 28.153 29.886 -1.733 18817 2719 1 5 . 1 1 111 111 HIS H H 111 8.324 8.324 7.834 0.490 18817 2720 1 5 . 1 1 112 112 GLU N N 112 118.814 118.814 118.897 -0.083 18817 2721 1 5 . 1 1 112 112 GLU C C 112 177.683 177.683 179.419 -1.736 18817 2722 1 5 . 1 1 112 112 GLU CA C 112 57.625 57.625 59.366 -1.741 18817 2723 1 5 . 1 1 112 112 GLU CB C 112 28.429 28.429 29.297 -0.868 18817 2724 1 5 . 1 1 112 112 GLU H H 112 8.110 8.110 7.909 0.201 18817 2725 1 5 . 1 1 113 113 ASN N N 113 117.915 117.915 117.985 -0.070 18817 2726 1 5 . 1 1 113 113 ASN C C 113 176.404 176.404 178.045 -1.641 18817 2727 1 5 . 1 1 113 113 ASN CA C 113 54.713 54.713 55.993 -1.280 18817 2728 1 5 . 1 1 113 113 ASN CB C 113 38.811 38.811 38.566 0.245 18817 2729 1 5 . 1 1 113 113 ASN H H 113 7.982 7.982 7.854 0.128 18817 2730 1 5 . 1 1 114 114 ILE N N 114 119.971 119.971 118.176 1.795 18817 2731 1 5 . 1 1 114 114 ILE C C 114 177.039 177.039 177.070 -0.031 18817 2732 1 5 . 1 1 114 114 ILE CA C 114 63.324 63.324 63.127 0.197 18817 2733 1 5 . 1 1 114 114 ILE CB C 114 37.055 37.055 37.335 -0.280 18817 2734 1 5 . 1 1 114 114 ILE H H 114 8.041 8.041 7.420 0.621 18817 2735 1 5 . 1 1 115 115 GLY N N 115 108.864 108.864 106.960 1.904 18817 2736 1 5 . 1 1 115 115 GLY C C 115 175.204 175.204 174.904 0.300 18817 2737 1 5 . 1 1 115 115 GLY CA C 115 45.868 45.868 45.910 -0.042 18817 2738 1 5 . 1 1 115 115 GLY H H 115 7.977 7.977 8.175 -0.198 18817 2739 1 5 . 1 1 116 116 ALA N N 116 123.570 123.570 123.054 0.516 18817 2740 1 5 . 1 1 116 116 ALA HA H 116 4.254 4.254 4.164 0.090 18817 2741 1 5 . 1 1 116 116 ALA C C 116 178.382 178.382 177.425 0.957 18817 2742 1 5 . 1 1 116 116 ALA CA C 116 52.974 52.974 54.631 -1.657 18817 2743 1 5 . 1 1 116 116 ALA CB C 116 18.106 18.106 18.953 -0.847 18817 2744 1 5 . 1 1 116 116 ALA H H 116 7.818 7.818 7.558 0.260 18817 2745 1 5 . 1 1 117 117 ALA N N 117 120.751 120.751 117.392 3.359 18817 2746 1 5 . 1 1 117 117 ALA C C 117 178.099 178.099 177.378 0.721 18817 2747 1 5 . 1 1 117 117 ALA CA C 117 52.818 52.818 52.355 0.463 18817 2748 1 5 . 1 1 117 117 ALA CB C 117 18.130 18.130 19.368 -1.238 18817 2749 1 5 . 1 1 117 117 ALA H H 117 7.766 7.766 7.622 0.144 18817 2750 1 5 . 1 1 118 118 GLY N N 118 105.627 105.627 107.433 -1.806 18817 2751 1 5 . 1 1 118 118 GLY C C 118 174.144 174.144 174.199 -0.055 18817 2752 1 5 . 1 1 118 118 GLY CA C 118 45.505 45.505 45.163 0.342 18817 2753 1 5 . 1 1 118 118 GLY H H 118 7.885 7.885 8.534 -0.649 18817 2754 1 5 . 1 1 119 119 PHE N N 119 119.825 119.825 119.519 0.306 18817 2755 1 5 . 1 1 119 119 PHE HA H 119 4.542 4.542 4.674 -0.132 18817 2756 1 5 . 1 1 119 119 PHE C C 119 175.543 175.543 175.768 -0.225 18817 2757 1 5 . 1 1 119 119 PHE CA C 119 57.858 57.858 57.250 0.608 18817 2758 1 5 . 1 1 119 119 PHE CB C 119 38.866 38.866 40.381 -1.515 18817 2759 1 5 . 1 1 119 119 PHE H H 119 7.730 7.730 8.042 -0.312 18817 2760 1 5 . 1 1 120 120 LYS N N 120 122.164 122.164 122.236 -0.072 18817 2761 1 5 . 1 1 120 120 LYS C C 120 175.748 175.748 176.777 -1.029 18817 2762 1 5 . 1 1 120 120 LYS CA C 120 55.644 55.644 58.538 -2.894 18817 2763 1 5 . 1 1 120 120 LYS CB C 120 32.442 32.442 32.595 -0.153 18817 2764 1 5 . 1 1 120 120 LYS H H 120 7.897 7.897 8.413 -0.516 18817 2765 1 5 . 1 1 121 121 MET N N 121 119.305 119.305 117.233 2.072 18817 2766 1 5 . 1 1 121 121 MET HA H 121 4.481 4.481 4.641 -0.160 18817 2767 1 5 . 1 1 121 121 MET C C 121 175.641 175.641 175.514 0.127 18817 2768 1 5 . 1 1 121 121 MET CA C 121 54.851 54.851 54.890 -0.039 18817 2769 1 5 . 1 1 121 121 MET CB C 121 32.855 32.855 34.254 -1.399 18817 2770 1 5 . 1 1 121 121 MET H H 121 7.937 7.937 7.713 0.224 18817 2771 1 5 . 1 1 122 122 SER N N 122 117.184 117.184 120.890 -3.706 18817 2772 1 5 . 1 1 122 122 SER C C 122 173.619 173.619 173.756 -0.137 18817 2773 1 5 . 1 1 122 122 SER CA C 122 57.625 57.625 57.127 0.498 18817 2774 1 5 . 1 1 122 122 SER CB C 122 62.847 62.847 63.772 -0.925 18817 2775 1 5 . 1 1 122 122 SER H H 122 8.052 8.052 8.542 -0.490 18817 2776 1 6 . 1 1 2 2 SER C C 2 172.027 172.027 175.101 -3.074 18817 2777 1 6 . 1 1 2 2 SER CA C 2 56.474 56.474 57.476 -1.002 18817 2778 1 6 . 1 1 2 2 SER CB C 2 63.484 63.484 63.535 -0.051 18817 2779 1 6 . 1 1 3 3 THR N N 3 119.004 119.004 121.053 -2.049 18817 2780 1 6 . 1 1 3 3 THR C C 3 175.867 175.867 176.480 -0.613 18817 2781 1 6 . 1 1 3 3 THR CA C 3 65.068 65.068 64.660 0.408 18817 2782 1 6 . 1 1 3 3 THR CB C 3 68.441 68.441 69.208 -0.767 18817 2783 1 6 . 1 1 3 3 THR H H 3 8.964 8.964 8.913 0.051 18817 2784 1 6 . 1 1 4 4 LEU N N 4 121.518 121.518 121.390 0.128 18817 2785 1 6 . 1 1 4 4 LEU C C 4 178.886 178.886 178.478 0.408 18817 2786 1 6 . 1 1 4 4 LEU CA C 4 57.246 57.246 57.790 -0.544 18817 2787 1 6 . 1 1 4 4 LEU CB C 4 40.645 40.645 41.694 -1.049 18817 2788 1 6 . 1 1 4 4 LEU H H 4 8.487 8.487 7.959 0.528 18817 2789 1 6 . 1 1 5 5 SER N N 5 117.162 117.162 114.104 3.058 18817 2790 1 6 . 1 1 5 5 SER C C 5 176.676 176.676 176.720 -0.044 18817 2791 1 6 . 1 1 5 5 SER CA C 5 60.827 60.827 61.804 -0.977 18817 2792 1 6 . 1 1 5 5 SER CB C 5 61.776 61.776 62.935 -1.159 18817 2793 1 6 . 1 1 5 5 SER H H 5 8.289 8.289 8.272 0.017 18817 2794 1 6 . 1 1 6 6 ASN N N 6 122.387 122.387 119.346 3.041 18817 2795 1 6 . 1 1 6 6 ASN HA H 6 4.230 4.230 4.567 -0.337 18817 2796 1 6 . 1 1 6 6 ASN C C 6 177.833 177.833 178.101 -0.268 18817 2797 1 6 . 1 1 6 6 ASN CA C 6 55.400 55.400 55.548 -0.148 18817 2798 1 6 . 1 1 6 6 ASN CB C 6 37.348 37.348 38.597 -1.250 18817 2799 1 6 . 1 1 6 6 ASN H H 6 8.160 8.160 7.483 0.677 18817 2800 1 6 . 1 1 7 7 PHE N N 7 121.724 121.724 122.032 -0.308 18817 2801 1 6 . 1 1 7 7 PHE C C 7 177.171 177.171 177.932 -0.761 18817 2802 1 6 . 1 1 7 7 PHE CA C 7 60.731 60.731 60.434 0.297 18817 2803 1 6 . 1 1 7 7 PHE CB C 7 38.693 38.693 39.151 -0.459 18817 2804 1 6 . 1 1 7 7 PHE H H 7 8.254 8.254 8.520 -0.266 18817 2805 1 6 . 1 1 8 8 THR N N 8 113.736 113.736 115.755 -2.019 18817 2806 1 6 . 1 1 8 8 THR HA H 8 4.278 4.278 3.876 0.402 18817 2807 1 6 . 1 1 8 8 THR C C 8 176.016 176.016 176.289 -0.273 18817 2808 1 6 . 1 1 8 8 THR CA C 8 66.400 66.400 66.423 -0.023 18817 2809 1 6 . 1 1 8 8 THR CB C 8 67.084 67.084 68.504 -1.421 18817 2810 1 6 . 1 1 8 8 THR H H 8 8.399 8.399 8.307 0.092 18817 2811 1 6 . 1 1 9 9 GLN N N 9 121.349 121.349 119.250 2.099 18817 2812 1 6 . 1 1 9 9 GLN C C 9 178.464 178.464 177.980 0.484 18817 2813 1 6 . 1 1 9 9 GLN CA C 9 58.448 58.448 59.216 -0.768 18817 2814 1 6 . 1 1 9 9 GLN CB C 9 27.564 27.564 28.666 -1.102 18817 2815 1 6 . 1 1 9 9 GLN H H 9 7.942 7.942 7.665 0.277 18817 2816 1 6 . 1 1 10 10 THR N N 10 117.451 117.451 116.030 1.421 18817 2817 1 6 . 1 1 10 10 THR HA H 10 4.278 4.278 4.420 -0.142 18817 2818 1 6 . 1 1 10 10 THR C C 10 176.380 176.380 176.584 -0.204 18817 2819 1 6 . 1 1 10 10 THR CA C 10 66.353 66.353 65.256 1.097 18817 2820 1 6 . 1 1 10 10 THR CB C 10 67.910 67.910 68.563 -0.653 18817 2821 1 6 . 1 1 10 10 THR H H 10 7.767 7.767 7.906 -0.139 18817 2822 1 6 . 1 1 11 11 LEU N N 11 121.448 121.448 122.377 -0.929 18817 2823 1 6 . 1 1 11 11 LEU C C 11 178.255 178.255 178.780 -0.525 18817 2824 1 6 . 1 1 11 11 LEU CA C 11 57.614 57.614 58.143 -0.529 18817 2825 1 6 . 1 1 11 11 LEU CB C 11 40.574 40.574 40.909 -0.335 18817 2826 1 6 . 1 1 11 11 LEU H H 11 7.958 7.958 7.679 0.279 18817 2827 1 6 . 1 1 12 12 GLU N N 12 117.911 117.911 119.605 -1.694 18817 2828 1 6 . 1 1 12 12 GLU C C 12 177.809 177.809 178.774 -0.965 18817 2829 1 6 . 1 1 12 12 GLU CA C 12 59.675 59.675 60.656 -0.981 18817 2830 1 6 . 1 1 12 12 GLU CB C 12 27.358 27.358 29.269 -1.911 18817 2831 1 6 . 1 1 12 12 GLU H H 12 8.206 8.206 7.963 0.243 18817 2832 1 6 . 1 1 13 13 ASP C C 13 178.880 178.880 179.041 -0.161 18817 2833 1 6 . 1 1 13 13 ASP CA C 13 58.468 58.468 57.253 1.215 18817 2834 1 6 . 1 1 13 13 ASP CB C 13 40.613 40.613 40.144 0.469 18817 2835 1 6 . 1 1 14 14 VAL N N 14 118.703 118.703 120.133 -1.430 18817 2836 1 6 . 1 1 14 14 VAL C C 14 177.885 177.885 177.915 -0.030 18817 2837 1 6 . 1 1 14 14 VAL CA C 14 66.212 66.212 66.339 -0.127 18817 2838 1 6 . 1 1 14 14 VAL CB C 14 30.614 30.614 31.944 -1.330 18817 2839 1 6 . 1 1 14 14 VAL H H 14 8.943 8.943 7.492 1.451 18817 2840 1 6 . 1 1 15 15 PHE N N 15 118.897 118.897 120.469 -1.572 18817 2841 1 6 . 1 1 15 15 PHE C C 15 177.542 177.542 177.132 0.410 18817 2842 1 6 . 1 1 15 15 PHE CA C 15 61.165 61.165 61.438 -0.273 18817 2843 1 6 . 1 1 15 15 PHE CB C 15 37.723 37.723 39.333 -1.610 18817 2844 1 6 . 1 1 15 15 PHE H H 15 8.379 8.379 9.034 -0.655 18817 2845 1 6 . 1 1 16 16 ARG N N 16 119.285 119.285 119.954 -0.669 18817 2846 1 6 . 1 1 16 16 ARG C C 16 177.852 177.852 178.080 -0.228 18817 2847 1 6 . 1 1 16 16 ARG CA C 16 59.972 59.972 59.273 0.699 18817 2848 1 6 . 1 1 16 16 ARG CB C 16 29.491 29.491 29.914 -0.423 18817 2849 1 6 . 1 1 16 16 ARG H H 16 8.455 8.455 8.844 -0.389 18817 2850 1 6 . 1 1 17 17 ARG N N 17 117.721 117.721 119.761 -2.040 18817 2851 1 6 . 1 1 17 17 ARG C C 17 179.606 179.606 178.917 0.689 18817 2852 1 6 . 1 1 17 17 ARG CA C 17 58.965 58.965 59.480 -0.515 18817 2853 1 6 . 1 1 17 17 ARG CB C 17 29.220 29.220 29.931 -0.711 18817 2854 1 6 . 1 1 17 17 ARG H H 17 7.816 7.816 7.764 0.052 18817 2855 1 6 . 1 1 18 18 ILE N N 18 121.097 121.097 119.205 1.892 18817 2856 1 6 . 1 1 18 18 ILE C C 18 177.115 177.115 178.045 -0.930 18817 2857 1 6 . 1 1 18 18 ILE CA C 18 64.570 64.570 65.314 -0.744 18817 2858 1 6 . 1 1 18 18 ILE CB C 18 37.150 37.150 37.776 -0.626 18817 2859 1 6 . 1 1 18 18 ILE H H 18 8.180 8.180 8.252 -0.072 18817 2860 1 6 . 1 1 19 19 PHE N N 19 120.545 120.545 120.824 -0.279 18817 2861 1 6 . 1 1 19 19 PHE C C 19 177.154 177.154 177.464 -0.310 18817 2862 1 6 . 1 1 19 19 PHE CA C 19 61.665 61.665 62.977 -1.312 18817 2863 1 6 . 1 1 19 19 PHE CB C 19 38.609 38.609 39.048 -0.439 18817 2864 1 6 . 1 1 19 19 PHE H H 19 8.407 8.407 7.403 1.004 18817 2865 1 6 . 1 1 20 20 ILE N N 20 118.206 118.206 119.483 -1.277 18817 2866 1 6 . 1 1 20 20 ILE C C 20 177.915 177.915 178.102 -0.187 18817 2867 1 6 . 1 1 20 20 ILE CA C 20 63.965 63.965 64.547 -0.582 18817 2868 1 6 . 1 1 20 20 ILE CB C 20 36.828 36.828 37.650 -0.822 18817 2869 1 6 . 1 1 20 20 ILE H H 20 8.350 8.350 8.248 0.102 18817 2870 1 6 . 1 1 21 21 THR N N 21 116.423 116.423 116.600 -0.177 18817 2871 1 6 . 1 1 21 21 THR C C 21 176.419 176.419 176.436 -0.017 18817 2872 1 6 . 1 1 21 21 THR CA C 21 66.069 66.069 66.404 -0.335 18817 2873 1 6 . 1 1 21 21 THR CB C 21 68.168 68.168 68.802 -0.634 18817 2874 1 6 . 1 1 21 21 THR H H 21 7.692 7.692 8.683 -0.991 18817 2875 1 6 . 1 1 22 22 TYR N N 22 121.108 121.108 123.987 -2.879 18817 2876 1 6 . 1 1 22 22 TYR C C 22 177.398 177.398 177.458 -0.060 18817 2877 1 6 . 1 1 22 22 TYR CA C 22 60.953 60.953 61.754 -0.801 18817 2878 1 6 . 1 1 22 22 TYR CB C 22 37.643 37.643 37.902 -0.259 18817 2879 1 6 . 1 1 22 22 TYR H H 22 8.028 8.028 8.534 -0.506 18817 2880 1 6 . 1 1 23 23 MET N N 23 118.337 118.337 116.363 1.974 18817 2881 1 6 . 1 1 23 23 MET C C 23 178.156 178.156 178.503 -0.347 18817 2882 1 6 . 1 1 23 23 MET CA C 23 57.078 57.078 58.979 -1.901 18817 2883 1 6 . 1 1 23 23 MET CB C 23 30.583 30.583 32.237 -1.655 18817 2884 1 6 . 1 1 23 23 MET H H 23 8.135 8.135 8.522 -0.387 18817 2885 1 6 . 1 1 24 24 ASP N N 24 118.883 118.883 120.226 -1.343 18817 2886 1 6 . 1 1 24 24 ASP C C 24 177.682 177.682 178.225 -0.543 18817 2887 1 6 . 1 1 24 24 ASP CA C 24 56.222 56.222 56.876 -0.654 18817 2888 1 6 . 1 1 24 24 ASP CB C 24 39.820 39.820 40.759 -0.939 18817 2889 1 6 . 1 1 24 24 ASP H H 24 8.208 8.208 7.765 0.443 18817 2890 1 6 . 1 1 25 25 ASN N N 25 116.989 116.989 119.435 -2.446 18817 2891 1 6 . 1 1 25 25 ASN C C 25 176.452 176.452 177.341 -0.889 18817 2892 1 6 . 1 1 25 25 ASN CA C 25 54.859 54.859 56.385 -1.526 18817 2893 1 6 . 1 1 25 25 ASN CB C 25 38.679 38.679 38.606 0.073 18817 2894 1 6 . 1 1 25 25 ASN H H 25 7.746 7.746 7.890 -0.144 18817 2895 1 6 . 1 1 26 26 TRP N N 26 120.811 120.811 121.746 -0.935 18817 2896 1 6 . 1 1 26 26 TRP C C 26 177.694 177.694 177.242 0.452 18817 2897 1 6 . 1 1 26 26 TRP CA C 26 58.922 58.922 62.277 -3.355 18817 2898 1 6 . 1 1 26 26 TRP CB C 26 28.772 28.772 29.115 -0.343 18817 2899 1 6 . 1 1 26 26 TRP H H 26 7.951 7.951 8.180 -0.229 18817 2900 1 6 . 1 1 27 27 ARG N N 27 119.926 119.926 117.078 2.848 18817 2901 1 6 . 1 1 27 27 ARG C C 27 177.355 177.355 178.977 -1.622 18817 2902 1 6 . 1 1 27 27 ARG CA C 27 57.844 57.844 59.313 -1.469 18817 2903 1 6 . 1 1 27 27 ARG CB C 27 29.249 29.249 29.919 -0.670 18817 2904 1 6 . 1 1 27 27 ARG H H 27 7.971 7.971 7.528 0.443 18817 2905 1 6 . 1 1 28 28 GLN N N 28 118.022 118.022 118.429 -0.407 18817 2906 1 6 . 1 1 28 28 GLN C C 28 176.547 176.547 177.670 -1.123 18817 2907 1 6 . 1 1 28 28 GLN CA C 28 56.751 56.751 58.032 -1.281 18817 2908 1 6 . 1 1 28 28 GLN CB C 28 28.167 28.167 28.805 -0.638 18817 2909 1 6 . 1 1 28 28 GLN H H 28 7.868 7.868 7.559 0.309 18817 2910 1 6 . 1 1 29 29 ASN N N 29 118.257 118.257 117.167 1.090 18817 2911 1 6 . 1 1 29 29 ASN C C 29 175.576 175.576 176.746 -1.170 18817 2912 1 6 . 1 1 29 29 ASN CA C 29 53.311 53.311 54.789 -1.478 18817 2913 1 6 . 1 1 29 29 ASN CB C 29 38.530 38.530 38.748 -0.218 18817 2914 1 6 . 1 1 29 29 ASN H H 29 7.915 7.915 8.368 -0.453 18817 2915 1 6 . 1 1 30 30 THR N N 30 113.464 113.464 114.478 -1.014 18817 2916 1 6 . 1 1 30 30 THR HA H 30 4.348 4.348 4.007 0.341 18817 2917 1 6 . 1 1 30 30 THR C C 30 175.453 175.453 176.164 -0.711 18817 2918 1 6 . 1 1 30 30 THR CA C 30 62.528 62.528 65.372 -2.844 18817 2919 1 6 . 1 1 30 30 THR CB C 30 69.103 69.103 68.840 0.263 18817 2920 1 6 . 1 1 30 30 THR H H 30 7.840 7.840 7.137 0.703 18817 2921 1 6 . 1 1 31 31 THR N N 31 116.868 116.868 115.626 1.242 18817 2922 1 6 . 1 1 31 31 THR C C 31 175.450 175.450 175.684 -0.234 18817 2923 1 6 . 1 1 31 31 THR CA C 31 63.705 63.705 65.702 -1.997 18817 2924 1 6 . 1 1 31 31 THR CB C 31 69.132 69.132 67.815 1.317 18817 2925 1 6 . 1 1 31 31 THR H H 31 7.955 7.955 7.576 0.379 18817 2926 1 6 . 1 1 32 32 ALA N N 32 124.803 124.803 124.408 0.395 18817 2927 1 6 . 1 1 32 32 ALA C C 32 179.686 179.686 179.541 0.145 18817 2928 1 6 . 1 1 32 32 ALA CA C 32 53.748 53.748 55.269 -1.521 18817 2929 1 6 . 1 1 32 32 ALA CB C 32 17.669 17.669 17.984 -0.315 18817 2930 1 6 . 1 1 32 32 ALA H H 32 8.226 8.226 7.922 0.304 18817 2931 1 6 . 1 1 33 33 GLU N N 33 118.847 118.847 117.590 1.257 18817 2932 1 6 . 1 1 33 33 GLU C C 33 177.525 177.525 179.287 -1.762 18817 2933 1 6 . 1 1 33 33 GLU CA C 33 58.026 58.026 59.154 -1.128 18817 2934 1 6 . 1 1 33 33 GLU CB C 33 27.793 27.793 29.324 -1.531 18817 2935 1 6 . 1 1 33 33 GLU H H 33 8.153 8.153 7.830 0.323 18817 2936 1 6 . 1 1 34 34 GLN N N 34 119.840 119.840 117.671 2.169 18817 2937 1 6 . 1 1 34 34 GLN C C 34 177.628 177.628 178.601 -0.973 18817 2938 1 6 . 1 1 34 34 GLN CA C 34 57.976 57.976 58.083 -0.107 18817 2939 1 6 . 1 1 34 34 GLN CB C 34 27.786 27.786 28.912 -1.125 18817 2940 1 6 . 1 1 34 34 GLN H H 34 8.109 8.109 7.384 0.725 18817 2941 1 6 . 1 1 35 35 GLU N N 35 119.894 119.894 120.751 -0.857 18817 2942 1 6 . 1 1 35 35 GLU C C 35 178.149 178.149 177.658 0.491 18817 2943 1 6 . 1 1 35 35 GLU CA C 35 58.160 58.160 59.296 -1.136 18817 2944 1 6 . 1 1 35 35 GLU CB C 35 28.337 28.337 28.602 -0.265 18817 2945 1 6 . 1 1 35 35 GLU H H 35 8.170 8.170 8.820 -0.650 18817 2946 1 6 . 1 1 36 36 ALA N N 36 123.045 123.045 121.184 1.861 18817 2947 1 6 . 1 1 36 36 ALA C C 36 179.303 179.303 179.648 -0.345 18817 2948 1 6 . 1 1 36 36 ALA CA C 36 53.615 53.615 54.620 -1.005 18817 2949 1 6 . 1 1 36 36 ALA CB C 36 17.788 17.788 18.003 -0.215 18817 2950 1 6 . 1 1 36 36 ALA H H 36 7.884 7.884 7.552 0.332 18817 2951 1 6 . 1 1 37 37 LEU N N 37 119.469 119.469 118.138 1.331 18817 2952 1 6 . 1 1 37 37 LEU C C 37 178.226 178.226 179.067 -0.841 18817 2953 1 6 . 1 1 37 37 LEU CA C 37 56.671 56.671 57.659 -0.988 18817 2954 1 6 . 1 1 37 37 LEU CB C 37 40.965 40.965 41.826 -0.861 18817 2955 1 6 . 1 1 37 37 LEU H H 37 7.907 7.907 7.538 0.369 18817 2956 1 6 . 1 1 38 38 GLN N N 38 118.655 118.655 118.065 0.590 18817 2957 1 6 . 1 1 38 38 GLN C C 38 176.775 176.775 178.190 -1.415 18817 2958 1 6 . 1 1 38 38 GLN CA C 38 57.420 57.420 58.595 -1.175 18817 2959 1 6 . 1 1 38 38 GLN CB C 38 28.042 28.042 27.932 0.110 18817 2960 1 6 . 1 1 38 38 GLN H H 38 8.097 8.097 7.544 0.553 18817 2961 1 6 . 1 1 39 39 ALA N N 39 121.284 121.284 122.422 -1.138 18817 2962 1 6 . 1 1 39 39 ALA C C 39 178.516 178.516 178.741 -0.225 18817 2963 1 6 . 1 1 39 39 ALA CA C 39 53.221 53.221 54.701 -1.480 18817 2964 1 6 . 1 1 39 39 ALA CB C 39 18.032 18.032 18.084 -0.052 18817 2965 1 6 . 1 1 39 39 ALA H H 39 7.724 7.724 8.047 -0.323 18817 2966 1 6 . 1 1 40 40 LYS N N 40 118.343 118.343 116.933 1.410 18817 2967 1 6 . 1 1 40 40 LYS C C 40 176.835 176.835 176.539 0.296 18817 2968 1 6 . 1 1 40 40 LYS CA C 40 56.436 56.436 57.569 -1.133 18817 2969 1 6 . 1 1 40 40 LYS CB C 40 32.005 32.005 32.377 -0.372 18817 2970 1 6 . 1 1 40 40 LYS H H 40 7.702 7.702 7.441 0.261 18817 2971 1 6 . 1 1 41 41 VAL N N 41 118.825 118.825 119.300 -0.475 18817 2972 1 6 . 1 1 41 41 VAL C C 41 175.383 175.383 175.117 0.266 18817 2973 1 6 . 1 1 41 41 VAL CA C 41 62.305 62.305 61.224 1.081 18817 2974 1 6 . 1 1 41 41 VAL CB C 41 31.695 31.695 31.748 -0.053 18817 2975 1 6 . 1 1 41 41 VAL H H 41 7.723 7.723 7.822 -0.098 18817 2976 1 6 . 1 1 42 42 ASP N N 42 122.980 122.980 123.123 -0.143 18817 2977 1 6 . 1 1 42 42 ASP HA H 42 4.323 4.323 4.561 -0.238 18817 2978 1 6 . 1 1 42 42 ASP C C 42 176.128 176.128 177.281 -1.153 18817 2979 1 6 . 1 1 42 42 ASP CA C 42 53.641 53.641 55.202 -1.561 18817 2980 1 6 . 1 1 42 42 ASP CB C 42 40.281 40.281 39.374 0.907 18817 2981 1 6 . 1 1 42 42 ASP H H 42 8.229 8.229 7.871 0.358 18817 2982 1 6 . 1 1 43 43 ALA N N 43 123.146 123.146 122.347 0.799 18817 2983 1 6 . 1 1 43 43 ALA C C 43 178.308 178.308 178.362 -0.054 18817 2984 1 6 . 1 1 43 43 ALA CA C 43 53.366 53.366 54.178 -0.812 18817 2985 1 6 . 1 1 43 43 ALA CB C 43 18.215 18.215 18.348 -0.133 18817 2986 1 6 . 1 1 43 43 ALA H H 43 8.095 8.095 8.164 -0.069 18817 2987 1 6 . 1 1 44 44 GLU N N 44 117.625 117.625 116.505 1.120 18817 2988 1 6 . 1 1 44 44 GLU C C 44 176.974 176.974 176.626 0.348 18817 2989 1 6 . 1 1 44 44 GLU CA C 44 57.011 57.011 57.146 -0.135 18817 2990 1 6 . 1 1 44 44 GLU CB C 44 28.434 28.434 30.159 -1.725 18817 2991 1 6 . 1 1 44 44 GLU H H 44 8.173 8.173 7.918 0.255 18817 2992 1 6 . 1 1 45 45 ASN N N 45 117.214 117.214 114.301 2.913 18817 2993 1 6 . 1 1 45 45 ASN C C 45 176.652 176.652 176.170 0.482 18817 2994 1 6 . 1 1 45 45 ASN CA C 45 53.544 53.544 55.166 -1.622 18817 2995 1 6 . 1 1 45 45 ASN CB C 45 38.334 38.334 37.036 1.298 18817 2996 1 6 . 1 1 45 45 ASN H H 45 8.059 8.059 7.864 0.195 18817 2997 1 6 . 1 1 46 46 PHE N N 46 120.987 120.987 118.864 2.123 18817 2998 1 6 . 1 1 46 46 PHE C C 46 176.975 176.975 176.445 0.530 18817 2999 1 6 . 1 1 46 46 PHE CA C 46 60.113 60.113 59.886 0.227 18817 3000 1 6 . 1 1 46 46 PHE CB C 46 38.290 38.290 39.164 -0.874 18817 3001 1 6 . 1 1 46 46 PHE H H 46 8.163 8.163 8.396 -0.233 18817 3002 1 6 . 1 1 47 47 TYR N N 47 116.519 116.519 118.618 -2.099 18817 3003 1 6 . 1 1 47 47 TYR C C 47 176.063 176.063 176.859 -0.796 18817 3004 1 6 . 1 1 47 47 TYR CA C 47 60.569 60.569 61.190 -0.621 18817 3005 1 6 . 1 1 47 47 TYR CB C 47 36.886 36.886 38.270 -1.384 18817 3006 1 6 . 1 1 47 47 TYR H H 47 7.417 7.417 8.240 -0.823 18817 3007 1 6 . 1 1 48 48 TYR N N 48 116.519 116.519 117.061 -0.542 18817 3008 1 6 . 1 1 48 48 TYR C C 48 177.063 177.063 177.699 -0.636 18817 3009 1 6 . 1 1 48 48 TYR CA C 48 60.569 60.569 61.937 -1.368 18817 3010 1 6 . 1 1 48 48 TYR CB C 48 36.886 36.886 37.660 -0.774 18817 3011 1 6 . 1 1 48 48 TYR H H 48 7.417 7.417 7.768 -0.351 18817 3012 1 6 . 1 1 49 49 VAL N N 49 118.292 118.292 119.535 -1.243 18817 3013 1 6 . 1 1 49 49 VAL C C 49 177.154 177.154 177.673 -0.519 18817 3014 1 6 . 1 1 49 49 VAL CA C 49 66.194 66.194 66.324 -0.130 18817 3015 1 6 . 1 1 49 49 VAL CB C 49 30.389 30.389 30.836 -0.447 18817 3016 1 6 . 1 1 49 49 VAL H H 49 7.439 7.439 7.464 -0.025 18817 3017 1 6 . 1 1 50 50 ILE N N 50 117.581 117.581 119.610 -2.029 18817 3018 1 6 . 1 1 50 50 ILE C C 50 177.307 177.307 177.763 -0.456 18817 3019 1 6 . 1 1 50 50 ILE CA C 50 63.876 63.876 64.882 -1.006 18817 3020 1 6 . 1 1 50 50 ILE CB C 50 35.725 35.725 37.307 -1.582 18817 3021 1 6 . 1 1 50 50 ILE H H 50 7.491 7.491 6.896 0.595 18817 3022 1 6 . 1 1 51 51 LEU N N 51 120.363 120.363 120.180 0.183 18817 3023 1 6 . 1 1 51 51 LEU C C 51 178.335 178.335 178.692 -0.357 18817 3024 1 6 . 1 1 51 51 LEU CA C 51 58.042 58.042 57.507 0.535 18817 3025 1 6 . 1 1 51 51 LEU CB C 51 40.550 40.550 40.838 -0.288 18817 3026 1 6 . 1 1 51 51 LEU H H 51 7.699 7.699 7.218 0.481 18817 3027 1 6 . 1 1 53 53 LEU C C 53 178.638 178.638 178.095 0.543 18817 3028 1 6 . 1 1 53 53 LEU CA C 53 57.795 57.795 58.714 -0.919 18817 3029 1 6 . 1 1 53 53 LEU CB C 53 40.796 40.796 41.789 -0.993 18817 3030 1 6 . 1 1 54 54 MET N N 54 117.957 117.957 116.879 1.078 18817 3031 1 6 . 1 1 54 54 MET C C 54 178.471 178.471 178.685 -0.214 18817 3032 1 6 . 1 1 54 54 MET CA C 54 58.432 58.432 58.273 0.159 18817 3033 1 6 . 1 1 54 54 MET CB C 54 31.395 31.395 31.137 0.258 18817 3034 1 6 . 1 1 54 54 MET H H 54 8.396 8.396 7.589 0.807 18817 3035 1 6 . 1 1 56 56 MET C C 56 177.895 177.895 178.459 -0.564 18817 3036 1 6 . 1 1 56 56 MET CA C 56 58.793 58.793 59.687 -0.894 18817 3037 1 6 . 1 1 57 57 ILE N N 57 119.111 119.111 118.165 0.946 18817 3038 1 6 . 1 1 57 57 ILE C C 57 179.504 179.504 177.719 1.785 18817 3039 1 6 . 1 1 57 57 ILE CA C 57 64.890 64.890 64.582 0.309 18817 3040 1 6 . 1 1 57 57 ILE CB C 57 36.497 36.497 37.968 -1.471 18817 3041 1 6 . 1 1 57 57 ILE H H 57 8.556 8.556 7.880 0.676 18817 3042 1 6 . 1 1 58 58 GLY N N 58 111.097 111.097 107.822 3.275 18817 3043 1 6 . 1 1 58 58 GLY C C 58 174.211 174.211 176.104 -1.893 18817 3044 1 6 . 1 1 58 58 GLY CA C 58 47.038 47.038 47.264 -0.226 18817 3045 1 6 . 1 1 58 58 GLY H H 58 8.745 8.745 7.899 0.846 18817 3046 1 6 . 1 1 59 59 MET N N 59 120.903 120.903 121.336 -0.433 18817 3047 1 6 . 1 1 59 59 MET C C 59 178.075 178.075 177.785 0.290 18817 3048 1 6 . 1 1 59 59 MET CA C 59 58.763 58.763 58.051 0.712 18817 3049 1 6 . 1 1 59 59 MET CB C 59 32.415 32.415 32.486 -0.071 18817 3050 1 6 . 1 1 59 59 MET H H 59 8.612 8.612 8.715 -0.103 18817 3051 1 6 . 1 1 60 60 PHE N N 60 117.888 117.888 117.737 0.151 18817 3052 1 6 . 1 1 60 60 PHE C C 60 177.292 177.292 177.377 -0.085 18817 3053 1 6 . 1 1 60 60 PHE CA C 60 60.486 60.486 61.828 -1.343 18817 3054 1 6 . 1 1 60 60 PHE CB C 60 38.213 38.213 38.562 -0.348 18817 3055 1 6 . 1 1 60 60 PHE H H 60 8.495 8.495 7.697 0.798 18817 3056 1 6 . 1 1 61 61 SER N N 61 115.530 115.530 115.496 0.034 18817 3057 1 6 . 1 1 61 61 SER C C 61 175.141 175.141 176.569 -1.428 18817 3058 1 6 . 1 1 61 61 SER CA C 61 63.198 63.198 61.093 2.105 18817 3059 1 6 . 1 1 61 61 SER CB C 61 62.050 62.050 62.901 -0.851 18817 3060 1 6 . 1 1 61 61 SER H H 61 8.338 8.338 7.930 0.408 18817 3061 1 6 . 1 1 62 62 PHE N N 62 121.237 121.237 122.499 -1.262 18817 3062 1 6 . 1 1 62 62 PHE C C 62 176.761 176.761 177.292 -0.531 18817 3063 1 6 . 1 1 62 62 PHE CA C 62 60.791 60.791 61.423 -0.632 18817 3064 1 6 . 1 1 62 62 PHE CB C 62 38.124 38.124 39.335 -1.211 18817 3065 1 6 . 1 1 62 62 PHE H H 62 8.077 8.077 7.830 0.247 18817 3066 1 6 . 1 1 64 64 ILE N N 64 118.608 118.608 120.392 -1.784 18817 3067 1 6 . 1 1 64 64 ILE C C 64 177.805 177.805 177.696 0.109 18817 3068 1 6 . 1 1 64 64 ILE CA C 64 64.465 64.465 65.573 -1.108 18817 3069 1 6 . 1 1 64 64 ILE CB C 64 35.984 35.984 38.228 -2.244 18817 3070 1 6 . 1 1 64 64 ILE H H 64 7.956 7.956 8.043 -0.087 18817 3071 1 6 . 1 1 65 65 VAL N N 65 119.395 119.395 119.011 0.384 18817 3072 1 6 . 1 1 65 65 VAL C C 65 177.045 177.045 176.954 0.091 18817 3073 1 6 . 1 1 65 65 VAL CA C 65 66.773 66.773 65.535 1.238 18817 3074 1 6 . 1 1 65 65 VAL CB C 65 30.099 30.099 31.544 -1.445 18817 3075 1 6 . 1 1 65 65 VAL H H 65 8.137 8.137 7.576 0.561 18817 3076 1 6 . 1 1 67 67 ILE C C 67 179.153 179.153 177.837 1.316 18817 3077 1 6 . 1 1 67 67 ILE CA C 67 64.933 64.933 65.359 -0.426 18817 3078 1 6 . 1 1 67 67 ILE CB C 67 36.977 36.977 37.804 -0.827 18817 3079 1 6 . 1 1 68 68 LEU N N 68 123.998 123.998 121.026 2.972 18817 3080 1 6 . 1 1 68 68 LEU HA H 68 4.301 4.301 3.964 0.337 18817 3081 1 6 . 1 1 68 68 LEU CA C 68 58.529 58.529 58.558 -0.029 18817 3082 1 6 . 1 1 68 68 LEU CB C 68 40.768 40.768 41.863 -1.095 18817 3083 1 6 . 1 1 68 68 LEU H H 68 8.540 8.540 7.524 1.016 18817 3084 1 6 . 1 1 69 69 VAL N N 69 120.584 120.584 117.893 2.691 18817 3085 1 6 . 1 1 69 69 VAL C C 69 177.859 177.859 178.050 -0.191 18817 3086 1 6 . 1 1 69 69 VAL CA C 69 65.949 65.949 66.887 -0.938 18817 3087 1 6 . 1 1 69 69 VAL CB C 69 30.847 30.847 30.997 -0.150 18817 3088 1 6 . 1 1 69 69 VAL H H 69 8.173 8.173 8.099 0.074 18817 3089 1 6 . 1 1 70 70 SER N N 70 114.121 114.121 116.245 -2.124 18817 3090 1 6 . 1 1 70 70 SER CA C 70 61.630 61.630 62.319 -0.689 18817 3091 1 6 . 1 1 70 70 SER CB C 70 62.527 62.527 63.206 -0.679 18817 3092 1 6 . 1 1 70 70 SER H H 70 7.898 7.898 8.162 -0.264 18817 3093 1 6 . 1 1 71 71 THR HA H 71 4.300 4.300 4.082 0.218 18817 3094 1 6 . 1 1 71 71 THR C C 71 176.381 176.381 176.741 -0.360 18817 3095 1 6 . 1 1 71 71 THR CA C 71 65.981 65.981 67.433 -1.452 18817 3096 1 6 . 1 1 71 71 THR CB C 71 68.416 68.416 68.769 -0.353 18817 3097 1 6 . 1 1 72 72 VAL N N 72 121.958 121.958 121.279 0.679 18817 3098 1 6 . 1 1 72 72 VAL C C 72 177.791 177.791 176.872 0.919 18817 3099 1 6 . 1 1 72 72 VAL CA C 72 65.532 65.532 65.963 -0.431 18817 3100 1 6 . 1 1 72 72 VAL CB C 72 30.882 30.882 31.752 -0.870 18817 3101 1 6 . 1 1 72 72 VAL H H 72 8.092 8.092 7.873 0.219 18817 3102 1 6 . 1 1 73 73 LYS C C 73 178.310 178.310 179.281 -0.971 18817 3103 1 6 . 1 1 73 73 LYS CA C 73 58.279 58.279 59.091 -0.812 18817 3104 1 6 . 1 1 73 73 LYS CB C 73 31.350 31.350 32.285 -0.935 18817 3105 1 6 . 1 1 74 74 SER N N 74 114.589 114.589 115.000 -0.411 18817 3106 1 6 . 1 1 74 74 SER C C 74 175.895 175.895 176.284 -0.389 18817 3107 1 6 . 1 1 74 74 SER CA C 74 59.979 59.979 61.002 -1.023 18817 3108 1 6 . 1 1 74 74 SER CB C 74 62.823 62.823 62.970 -0.147 18817 3109 1 6 . 1 1 74 74 SER H H 74 7.816 7.816 8.396 -0.580 18817 3110 1 6 . 1 1 75 75 LYS N N 75 121.984 121.984 120.976 1.008 18817 3111 1 6 . 1 1 75 75 LYS C C 75 177.649 177.649 177.801 -0.152 18817 3112 1 6 . 1 1 75 75 LYS CA C 75 56.892 56.892 58.135 -1.243 18817 3113 1 6 . 1 1 75 75 LYS CB C 75 31.263 31.263 32.265 -1.002 18817 3114 1 6 . 1 1 75 75 LYS H H 75 7.964 7.964 7.419 0.545 18817 3115 1 6 . 1 1 76 76 ARG N N 76 119.656 119.656 116.713 2.943 18817 3116 1 6 . 1 1 76 76 ARG C C 76 177.010 177.010 176.956 0.054 18817 3117 1 6 . 1 1 76 76 ARG CA C 76 56.671 56.671 57.688 -1.017 18817 3118 1 6 . 1 1 76 76 ARG CB C 76 29.471 29.471 30.569 -1.098 18817 3119 1 6 . 1 1 76 76 ARG H H 76 7.909 7.909 7.432 0.477 18817 3120 1 6 . 1 1 77 77 ARG N N 77 120.815 120.815 116.606 4.209 18817 3121 1 6 . 1 1 77 77 ARG C C 77 176.633 176.633 176.710 -0.077 18817 3122 1 6 . 1 1 77 77 ARG CA C 77 56.355 56.355 56.222 0.133 18817 3123 1 6 . 1 1 77 77 ARG CB C 77 29.718 29.718 32.361 -2.643 18817 3124 1 6 . 1 1 77 77 ARG H H 77 7.860 7.860 8.059 -0.199 18817 3125 1 6 . 1 1 78 78 GLU N N 78 120.635 120.635 117.190 3.445 18817 3126 1 6 . 1 1 78 78 GLU C C 78 176.320 176.320 174.379 1.941 18817 3127 1 6 . 1 1 78 78 GLU CA C 78 56.368 56.368 55.805 0.563 18817 3128 1 6 . 1 1 78 78 GLU CB C 78 29.083 29.083 34.280 -5.197 18817 3129 1 6 . 1 1 78 78 GLU H H 78 8.119 8.119 8.211 -0.092 18817 3130 1 6 . 1 1 79 79 HIS N N 79 117.659 117.659 116.166 1.493 18817 3131 1 6 . 1 1 79 79 HIS C C 79 174.583 174.583 174.104 0.479 18817 3132 1 6 . 1 1 79 79 HIS CA C 79 54.918 54.918 55.920 -1.002 18817 3133 1 6 . 1 1 79 79 HIS CB C 79 28.249 28.249 29.808 -1.559 18817 3134 1 6 . 1 1 79 79 HIS H H 79 8.042 8.042 8.776 -0.734 18817 3135 1 6 . 1 1 80 80 SER N N 80 116.920 116.920 119.265 -2.345 18817 3136 1 6 . 1 1 80 80 SER C C 80 174.323 174.323 173.499 0.824 18817 3137 1 6 . 1 1 80 80 SER CA C 80 58.377 58.377 57.362 1.015 18817 3138 1 6 . 1 1 80 80 SER CB C 80 63.113 63.113 65.891 -2.778 18817 3139 1 6 . 1 1 80 80 SER H H 80 8.151 8.151 8.019 0.132 18817 3140 1 6 . 1 1 81 81 ASN N N 81 120.963 120.963 119.042 1.921 18817 3141 1 6 . 1 1 81 81 ASN C C 81 174.436 174.436 174.356 0.080 18817 3142 1 6 . 1 1 81 81 ASN CA C 81 52.945 52.945 53.402 -0.457 18817 3143 1 6 . 1 1 81 81 ASN CB C 81 38.324 38.324 39.497 -1.173 18817 3144 1 6 . 1 1 81 81 ASN H H 81 8.411 8.411 8.805 -0.394 18817 3145 1 6 . 1 1 83 83 PRO C C 83 176.072 176.072 175.901 0.171 18817 3146 1 6 . 1 1 83 83 PRO CA C 83 62.420 62.420 62.956 -0.536 18817 3147 1 6 . 1 1 83 83 PRO CB C 83 33.212 33.212 32.307 0.905 18817 3148 1 6 . 1 1 84 84 TYR N N 84 124.146 124.146 120.297 3.849 18817 3149 1 6 . 1 1 84 84 TYR C C 84 176.670 176.670 176.360 0.310 18817 3150 1 6 . 1 1 84 84 TYR CA C 84 55.352 55.352 57.038 -1.686 18817 3151 1 6 . 1 1 84 84 TYR CB C 84 40.958 40.958 39.747 1.211 18817 3152 1 6 . 1 1 84 84 TYR H H 84 8.487 8.487 8.425 0.062 18817 3153 1 6 . 1 1 86 86 GLN C C 86 177.884 177.884 176.632 1.252 18817 3154 1 6 . 1 1 86 86 GLN CA C 86 59.593 59.593 58.693 0.900 18817 3155 1 6 . 1 1 86 86 GLN CB C 86 27.335 27.335 27.735 -0.400 18817 3156 1 6 . 1 1 87 87 TYR N N 87 119.339 119.339 121.086 -1.747 18817 3157 1 6 . 1 1 87 87 TYR C C 87 178.922 178.922 177.494 1.428 18817 3158 1 6 . 1 1 87 87 TYR CA C 87 57.225 57.225 61.715 -4.490 18817 3159 1 6 . 1 1 87 87 TYR CB C 87 40.155 40.155 38.445 1.710 18817 3160 1 6 . 1 1 87 87 TYR H H 87 7.981 7.981 8.248 -0.267 18817 3161 1 6 . 1 1 88 88 ILE C C 88 175.951 175.951 177.722 -1.771 18817 3162 1 6 . 1 1 89 89 VAL N N 89 119.921 119.921 118.765 1.156 18817 3163 1 6 . 1 1 89 89 VAL C C 89 177.806 177.806 177.734 0.072 18817 3164 1 6 . 1 1 89 89 VAL CA C 89 63.289 63.289 65.451 -2.162 18817 3165 1 6 . 1 1 89 89 VAL CB C 89 31.247 31.247 31.005 0.242 18817 3166 1 6 . 1 1 89 89 VAL H H 89 7.397 7.397 8.391 -0.994 18817 3167 1 6 . 1 1 90 90 GLU N N 90 119.266 119.266 120.577 -1.311 18817 3168 1 6 . 1 1 90 90 GLU C C 90 178.316 178.316 178.464 -0.148 18817 3169 1 6 . 1 1 90 90 GLU CA C 90 58.285 58.285 60.223 -1.938 18817 3170 1 6 . 1 1 90 90 GLU CB C 90 31.270 31.270 28.973 2.297 18817 3171 1 6 . 1 1 90 90 GLU H H 90 8.111 8.111 7.751 0.360 18817 3172 1 6 . 1 1 91 91 ASP C C 91 177.542 177.542 178.340 -0.798 18817 3173 1 6 . 1 1 91 91 ASP CA C 91 56.637 56.637 57.018 -0.381 18817 3174 1 6 . 1 1 91 91 ASP CB C 91 38.852 38.852 40.148 -1.296 18817 3175 1 6 . 1 1 92 92 TRP N N 92 120.874 120.874 121.461 -0.587 18817 3176 1 6 . 1 1 92 92 TRP C C 92 177.384 177.384 177.811 -0.427 18817 3177 1 6 . 1 1 92 92 TRP CA C 92 59.510 59.510 59.315 0.195 18817 3178 1 6 . 1 1 92 92 TRP CB C 92 27.817 27.817 30.357 -2.540 18817 3179 1 6 . 1 1 92 92 TRP H H 92 7.852 7.852 7.529 0.323 18817 3180 1 6 . 1 1 93 93 GLN N N 93 119.478 119.478 119.462 0.016 18817 3181 1 6 . 1 1 93 93 GLN C C 93 177.653 177.653 178.321 -0.668 18817 3182 1 6 . 1 1 93 93 GLN CA C 93 58.991 58.991 59.441 -0.450 18817 3183 1 6 . 1 1 93 93 GLN CB C 93 27.205 27.205 28.601 -1.395 18817 3184 1 6 . 1 1 93 93 GLN H H 93 8.010 8.010 8.680 -0.670 18817 3185 1 6 . 1 1 94 94 GLU N N 94 117.531 117.531 120.113 -2.582 18817 3186 1 6 . 1 1 94 94 GLU C C 94 178.798 178.798 178.695 0.103 18817 3187 1 6 . 1 1 94 94 GLU CA C 94 57.794 57.794 58.759 -0.965 18817 3188 1 6 . 1 1 94 94 GLU CB C 94 28.816 28.816 29.557 -0.741 18817 3189 1 6 . 1 1 94 94 GLU H H 94 7.589 7.589 8.033 -0.444 18817 3190 1 6 . 1 1 95 95 LYS N N 95 119.905 119.905 119.104 0.801 18817 3191 1 6 . 1 1 95 95 LYS C C 95 178.416 178.416 178.794 -0.378 18817 3192 1 6 . 1 1 95 95 LYS CA C 95 58.576 58.576 58.838 -0.262 18817 3193 1 6 . 1 1 95 95 LYS CB C 95 32.120 32.120 32.277 -0.157 18817 3194 1 6 . 1 1 95 95 LYS H H 95 7.832 7.832 7.390 0.442 18817 3195 1 6 . 1 1 96 96 TYR N N 96 117.063 117.063 120.730 -3.667 18817 3196 1 6 . 1 1 96 96 TYR C C 96 176.535 176.535 177.263 -0.728 18817 3197 1 6 . 1 1 96 96 TYR CA C 96 58.804 58.804 61.363 -2.559 18817 3198 1 6 . 1 1 96 96 TYR CB C 96 37.106 37.106 38.493 -1.387 18817 3199 1 6 . 1 1 96 96 TYR H H 96 7.916 7.916 7.774 0.142 18817 3200 1 6 . 1 1 97 97 LYS N N 97 120.781 120.781 119.528 1.253 18817 3201 1 6 . 1 1 97 97 LYS C C 97 178.281 178.281 178.795 -0.514 18817 3202 1 6 . 1 1 97 97 LYS CA C 97 59.605 59.605 59.746 -0.141 18817 3203 1 6 . 1 1 97 97 LYS CB C 97 31.265 31.265 32.175 -0.910 18817 3204 1 6 . 1 1 97 97 LYS H H 97 7.610 7.610 7.676 -0.066 18817 3205 1 6 . 1 1 98 98 SER N N 98 113.319 113.319 113.837 -0.518 18817 3206 1 6 . 1 1 98 98 SER C C 98 176.355 176.355 176.570 -0.215 18817 3207 1 6 . 1 1 98 98 SER CA C 98 60.840 60.840 61.893 -1.053 18817 3208 1 6 . 1 1 98 98 SER CB C 98 61.944 61.944 62.570 -0.626 18817 3209 1 6 . 1 1 98 98 SER H H 98 8.180 8.180 7.697 0.483 18817 3210 1 6 . 1 1 99 99 GLN N N 99 121.218 121.218 122.694 -1.476 18817 3211 1 6 . 1 1 99 99 GLN C C 99 178.134 178.134 178.347 -0.213 18817 3212 1 6 . 1 1 99 99 GLN CA C 99 58.234 58.234 58.627 -0.393 18817 3213 1 6 . 1 1 99 99 GLN CB C 99 27.521 27.521 28.092 -0.571 18817 3214 1 6 . 1 1 99 99 GLN H H 99 7.822 7.822 7.305 0.517 18817 3215 1 6 . 1 1 100 100 ILE N N 100 119.936 119.936 120.560 -0.624 18817 3216 1 6 . 1 1 100 100 ILE C C 100 177.443 177.443 178.175 -0.732 18817 3217 1 6 . 1 1 100 100 ILE CA C 100 63.808 63.808 65.220 -1.412 18817 3218 1 6 . 1 1 100 100 ILE CB C 100 36.622 36.622 37.934 -1.312 18817 3219 1 6 . 1 1 100 100 ILE H H 100 7.992 7.992 7.511 0.481 18817 3220 1 6 . 1 1 101 101 LEU N N 101 120.350 120.350 119.205 1.145 18817 3221 1 6 . 1 1 101 101 LEU C C 101 178.913 178.913 178.508 0.405 18817 3222 1 6 . 1 1 101 101 LEU CA C 101 56.911 56.911 58.236 -1.325 18817 3223 1 6 . 1 1 101 101 LEU CB C 101 40.296 40.296 41.589 -1.293 18817 3224 1 6 . 1 1 101 101 LEU H H 101 7.861 7.861 7.646 0.215 18817 3225 1 6 . 1 1 102 102 ASN N N 102 117.859 117.859 118.466 -0.607 18817 3226 1 6 . 1 1 102 102 ASN C C 102 177.647 177.647 177.757 -0.110 18817 3227 1 6 . 1 1 102 102 ASN CA C 102 54.937 54.937 55.996 -1.060 18817 3228 1 6 . 1 1 102 102 ASN CB C 102 37.917 37.917 38.311 -0.394 18817 3229 1 6 . 1 1 102 102 ASN H H 102 7.767 7.767 7.853 -0.086 18817 3230 1 6 . 1 1 103 103 LEU N N 103 122.625 122.625 120.507 2.118 18817 3231 1 6 . 1 1 103 103 LEU C C 103 178.656 178.656 178.612 0.044 18817 3232 1 6 . 1 1 103 103 LEU CA C 103 57.339 57.339 58.006 -0.667 18817 3233 1 6 . 1 1 103 103 LEU CB C 103 40.726 40.726 42.025 -1.299 18817 3234 1 6 . 1 1 103 103 LEU H H 103 8.021 8.021 8.703 -0.682 18817 3235 1 6 . 1 1 104 104 GLU N N 104 118.900 118.900 118.782 0.118 18817 3236 1 6 . 1 1 104 104 GLU C C 104 178.825 178.825 178.761 0.064 18817 3237 1 6 . 1 1 104 104 GLU CA C 104 58.665 58.665 59.919 -1.254 18817 3238 1 6 . 1 1 104 104 GLU CB C 104 27.791 27.791 29.219 -1.428 18817 3239 1 6 . 1 1 104 104 GLU H H 104 8.267 8.267 7.704 0.563 18817 3240 1 6 . 1 1 105 105 GLU N N 105 119.025 119.025 118.923 0.102 18817 3241 1 6 . 1 1 105 105 GLU C C 105 178.532 178.532 178.957 -0.425 18817 3242 1 6 . 1 1 105 105 GLU CA C 105 57.823 57.823 58.523 -0.700 18817 3243 1 6 . 1 1 105 105 GLU CB C 105 28.159 28.159 29.269 -1.110 18817 3244 1 6 . 1 1 105 105 GLU H H 105 8.079 8.079 7.712 0.367 18817 3245 1 6 . 1 1 106 106 SER N N 106 116.209 116.209 116.053 0.156 18817 3246 1 6 . 1 1 106 106 SER C C 106 175.406 175.406 176.504 -1.098 18817 3247 1 6 . 1 1 106 106 SER CA C 106 60.134 60.134 61.637 -1.503 18817 3248 1 6 . 1 1 106 106 SER CB C 106 62.748 62.748 63.224 -0.476 18817 3249 1 6 . 1 1 106 106 SER H H 106 7.942 7.942 8.334 -0.392 18817 3250 1 6 . 1 1 107 107 LYS N N 107 121.873 121.873 121.372 0.501 18817 3251 1 6 . 1 1 107 107 LYS C C 107 177.217 177.217 178.177 -0.960 18817 3252 1 6 . 1 1 107 107 LYS CA C 107 59.017 59.017 59.111 -0.094 18817 3253 1 6 . 1 1 107 107 LYS CB C 107 31.428 31.428 32.068 -0.640 18817 3254 1 6 . 1 1 107 107 LYS H H 107 7.917 7.917 8.308 -0.391 18817 3255 1 6 . 1 1 108 108 ALA N N 108 121.920 121.920 120.979 0.941 18817 3256 1 6 . 1 1 108 108 ALA C C 108 179.577 179.577 179.656 -0.079 18817 3257 1 6 . 1 1 108 108 ALA CA C 108 54.338 54.338 55.242 -0.904 18817 3258 1 6 . 1 1 108 108 ALA CB C 108 17.570 17.570 17.996 -0.426 18817 3259 1 6 . 1 1 108 108 ALA H H 108 7.956 7.956 7.657 0.299 18817 3260 1 6 . 1 1 109 109 THR N N 109 114.512 114.512 114.953 -0.441 18817 3261 1 6 . 1 1 109 109 THR C C 109 176.373 176.373 176.602 -0.229 18817 3262 1 6 . 1 1 109 109 THR CA C 109 64.381 64.381 65.753 -1.372 18817 3263 1 6 . 1 1 109 109 THR CB C 109 68.652 68.652 68.368 0.284 18817 3264 1 6 . 1 1 109 109 THR H H 109 7.844 7.844 7.386 0.458 18817 3265 1 6 . 1 1 110 110 ILE N N 110 122.486 122.486 122.255 0.231 18817 3266 1 6 . 1 1 110 110 ILE C C 110 177.059 177.059 178.331 -1.272 18817 3267 1 6 . 1 1 110 110 ILE CA C 110 64.071 64.071 64.582 -0.511 18817 3268 1 6 . 1 1 110 110 ILE CB C 110 36.915 36.915 37.333 -0.418 18817 3269 1 6 . 1 1 110 110 ILE H H 110 8.000 8.000 7.576 0.424 18817 3270 1 6 . 1 1 111 111 HIS N N 111 118.524 118.524 118.089 0.435 18817 3271 1 6 . 1 1 111 111 HIS C C 111 176.567 176.567 178.035 -1.468 18817 3272 1 6 . 1 1 111 111 HIS CA C 111 58.118 58.118 58.942 -0.824 18817 3273 1 6 . 1 1 111 111 HIS CB C 111 28.153 28.153 29.184 -1.031 18817 3274 1 6 . 1 1 111 111 HIS H H 111 8.324 8.324 8.203 0.121 18817 3275 1 6 . 1 1 112 112 GLU N N 112 118.814 118.814 119.711 -0.897 18817 3276 1 6 . 1 1 112 112 GLU C C 112 177.683 177.683 179.199 -1.516 18817 3277 1 6 . 1 1 112 112 GLU CA C 112 57.625 57.625 59.257 -1.632 18817 3278 1 6 . 1 1 112 112 GLU CB C 112 28.429 28.429 29.508 -1.079 18817 3279 1 6 . 1 1 112 112 GLU H H 112 8.110 8.110 8.166 -0.056 18817 3280 1 6 . 1 1 113 113 ASN N N 113 117.915 117.915 118.225 -0.310 18817 3281 1 6 . 1 1 113 113 ASN C C 113 176.404 176.404 177.700 -1.296 18817 3282 1 6 . 1 1 113 113 ASN CA C 113 54.713 54.713 55.824 -1.111 18817 3283 1 6 . 1 1 113 113 ASN CB C 113 38.811 38.811 38.680 0.131 18817 3284 1 6 . 1 1 113 113 ASN H H 113 7.982 7.982 7.743 0.239 18817 3285 1 6 . 1 1 114 114 ILE N N 114 119.971 119.971 119.536 0.435 18817 3286 1 6 . 1 1 114 114 ILE C C 114 177.039 177.039 178.182 -1.143 18817 3287 1 6 . 1 1 114 114 ILE CA C 114 63.324 63.324 64.451 -1.127 18817 3288 1 6 . 1 1 114 114 ILE CB C 114 37.055 37.055 37.101 -0.046 18817 3289 1 6 . 1 1 114 114 ILE H H 114 8.041 8.041 7.594 0.447 18817 3290 1 6 . 1 1 115 115 GLY N N 115 108.864 108.864 106.581 2.283 18817 3291 1 6 . 1 1 115 115 GLY C C 115 175.204 175.204 175.243 -0.039 18817 3292 1 6 . 1 1 115 115 GLY CA C 115 45.868 45.868 46.101 -0.233 18817 3293 1 6 . 1 1 115 115 GLY H H 115 7.977 7.977 7.711 0.266 18817 3294 1 6 . 1 1 116 116 ALA N N 116 123.570 123.570 122.536 1.034 18817 3295 1 6 . 1 1 116 116 ALA HA H 116 4.254 4.254 4.137 0.117 18817 3296 1 6 . 1 1 116 116 ALA C C 116 178.382 178.382 177.186 1.196 18817 3297 1 6 . 1 1 116 116 ALA CA C 116 52.974 52.974 52.668 0.306 18817 3298 1 6 . 1 1 116 116 ALA CB C 116 18.106 18.106 19.112 -1.006 18817 3299 1 6 . 1 1 116 116 ALA H H 116 7.818 7.818 7.114 0.704 18817 3300 1 6 . 1 1 117 117 ALA N N 117 120.751 120.751 118.148 2.603 18817 3301 1 6 . 1 1 117 117 ALA C C 117 178.099 178.099 177.765 0.334 18817 3302 1 6 . 1 1 117 117 ALA CA C 117 52.818 52.818 53.177 -0.359 18817 3303 1 6 . 1 1 117 117 ALA CB C 117 18.130 18.130 17.381 0.749 18817 3304 1 6 . 1 1 117 117 ALA H H 117 7.766 7.766 7.779 -0.013 18817 3305 1 6 . 1 1 118 118 GLY N N 118 105.627 105.627 106.203 -0.576 18817 3306 1 6 . 1 1 118 118 GLY C C 118 174.144 174.144 173.965 0.179 18817 3307 1 6 . 1 1 118 118 GLY CA C 118 45.505 45.505 45.033 0.472 18817 3308 1 6 . 1 1 118 118 GLY H H 118 7.885 7.885 8.379 -0.494 18817 3309 1 6 . 1 1 119 119 PHE N N 119 119.825 119.825 119.908 -0.083 18817 3310 1 6 . 1 1 119 119 PHE HA H 119 4.542 4.542 4.656 -0.114 18817 3311 1 6 . 1 1 119 119 PHE C C 119 175.543 175.543 174.450 1.093 18817 3312 1 6 . 1 1 119 119 PHE CA C 119 57.858 57.858 58.258 -0.400 18817 3313 1 6 . 1 1 119 119 PHE CB C 119 38.866 38.866 40.247 -1.381 18817 3314 1 6 . 1 1 119 119 PHE H H 119 7.730 7.730 7.629 0.101 18817 3315 1 6 . 1 1 120 120 LYS N N 120 122.164 122.164 124.546 -2.382 18817 3316 1 6 . 1 1 120 120 LYS C C 120 175.748 175.748 175.624 0.124 18817 3317 1 6 . 1 1 120 120 LYS CA C 120 55.644 55.644 56.401 -0.756 18817 3318 1 6 . 1 1 120 120 LYS CB C 120 32.442 32.442 32.611 -0.169 18817 3319 1 6 . 1 1 120 120 LYS H H 120 7.897 7.897 8.391 -0.494 18817 3320 1 6 . 1 1 121 121 MET N N 121 119.305 119.305 119.945 -0.640 18817 3321 1 6 . 1 1 121 121 MET HA H 121 4.481 4.481 4.736 -0.255 18817 3322 1 6 . 1 1 121 121 MET C C 121 175.641 175.641 176.029 -0.388 18817 3323 1 6 . 1 1 121 121 MET CA C 121 54.851 54.851 54.747 0.104 18817 3324 1 6 . 1 1 121 121 MET CB C 121 32.855 32.855 34.067 -1.212 18817 3325 1 6 . 1 1 121 121 MET H H 121 7.937 7.937 8.078 -0.141 18817 3326 1 6 . 1 1 122 122 SER N N 122 117.184 117.184 119.392 -2.208 18817 3327 1 6 . 1 1 122 122 SER C C 122 173.619 173.619 173.704 -0.085 18817 3328 1 6 . 1 1 122 122 SER CA C 122 57.625 57.625 56.597 1.028 18817 3329 1 6 . 1 1 122 122 SER CB C 122 62.847 62.847 63.880 -1.033 18817 3330 1 6 . 1 1 122 122 SER H H 122 8.052 8.052 8.448 -0.396 18817 3331 1 7 . 1 1 2 2 SER C C 2 172.027 172.027 175.737 -3.710 18817 3332 1 7 . 1 1 2 2 SER CA C 2 56.474 56.474 57.424 -0.950 18817 3333 1 7 . 1 1 2 2 SER CB C 2 63.484 63.484 63.535 -0.051 18817 3334 1 7 . 1 1 3 3 THR N N 3 119.004 119.004 120.066 -1.062 18817 3335 1 7 . 1 1 3 3 THR C C 3 175.867 175.867 175.870 -0.003 18817 3336 1 7 . 1 1 3 3 THR CA C 3 65.068 65.068 64.661 0.407 18817 3337 1 7 . 1 1 3 3 THR CB C 3 68.441 68.441 68.595 -0.154 18817 3338 1 7 . 1 1 3 3 THR H H 3 8.964 8.964 8.242 0.722 18817 3339 1 7 . 1 1 4 4 LEU N N 4 121.518 121.518 122.001 -0.483 18817 3340 1 7 . 1 1 4 4 LEU C C 4 178.886 178.886 178.162 0.724 18817 3341 1 7 . 1 1 4 4 LEU CA C 4 57.246 57.246 57.596 -0.350 18817 3342 1 7 . 1 1 4 4 LEU CB C 4 40.645 40.645 41.565 -0.920 18817 3343 1 7 . 1 1 4 4 LEU H H 4 8.487 8.487 7.566 0.921 18817 3344 1 7 . 1 1 5 5 SER N N 5 117.162 117.162 113.015 4.147 18817 3345 1 7 . 1 1 5 5 SER C C 5 176.676 176.676 176.727 -0.051 18817 3346 1 7 . 1 1 5 5 SER CA C 5 60.827 60.827 61.418 -0.591 18817 3347 1 7 . 1 1 5 5 SER CB C 5 61.776 61.776 62.940 -1.164 18817 3348 1 7 . 1 1 5 5 SER H H 5 8.289 8.289 7.869 0.420 18817 3349 1 7 . 1 1 6 6 ASN N N 6 122.387 122.387 120.426 1.961 18817 3350 1 7 . 1 1 6 6 ASN HA H 6 4.230 4.230 4.612 -0.382 18817 3351 1 7 . 1 1 6 6 ASN C C 6 177.833 177.833 177.841 -0.008 18817 3352 1 7 . 1 1 6 6 ASN CA C 6 55.400 55.400 56.085 -0.685 18817 3353 1 7 . 1 1 6 6 ASN CB C 6 37.348 37.348 38.267 -0.919 18817 3354 1 7 . 1 1 6 6 ASN H H 6 8.160 8.160 7.669 0.491 18817 3355 1 7 . 1 1 7 7 PHE N N 7 121.724 121.724 119.004 2.720 18817 3356 1 7 . 1 1 7 7 PHE C C 7 177.171 177.171 178.105 -0.934 18817 3357 1 7 . 1 1 7 7 PHE CA C 7 60.731 60.731 60.057 0.674 18817 3358 1 7 . 1 1 7 7 PHE CB C 7 38.693 38.693 38.403 0.290 18817 3359 1 7 . 1 1 7 7 PHE H H 7 8.254 8.254 8.550 -0.296 18817 3360 1 7 . 1 1 8 8 THR N N 8 113.736 113.736 113.650 0.086 18817 3361 1 7 . 1 1 8 8 THR HA H 8 4.278 4.278 4.103 0.175 18817 3362 1 7 . 1 1 8 8 THR C C 8 176.016 176.016 176.832 -0.816 18817 3363 1 7 . 1 1 8 8 THR CA C 8 66.400 66.400 66.270 0.130 18817 3364 1 7 . 1 1 8 8 THR CB C 8 67.084 67.084 68.294 -1.210 18817 3365 1 7 . 1 1 8 8 THR H H 8 8.399 8.399 7.715 0.684 18817 3366 1 7 . 1 1 9 9 GLN N N 9 121.349 121.349 120.320 1.029 18817 3367 1 7 . 1 1 9 9 GLN C C 9 178.464 178.464 178.145 0.319 18817 3368 1 7 . 1 1 9 9 GLN CA C 9 58.448 58.448 59.368 -0.920 18817 3369 1 7 . 1 1 9 9 GLN CB C 9 27.564 27.564 28.148 -0.584 18817 3370 1 7 . 1 1 9 9 GLN H H 9 7.942 7.942 7.647 0.295 18817 3371 1 7 . 1 1 10 10 THR N N 10 117.451 117.451 115.341 2.110 18817 3372 1 7 . 1 1 10 10 THR HA H 10 4.278 4.278 4.043 0.235 18817 3373 1 7 . 1 1 10 10 THR C C 10 176.380 176.380 176.449 -0.069 18817 3374 1 7 . 1 1 10 10 THR CA C 10 66.353 66.353 65.474 0.879 18817 3375 1 7 . 1 1 10 10 THR CB C 10 67.910 67.910 68.094 -0.184 18817 3376 1 7 . 1 1 10 10 THR H H 10 7.767 7.767 7.761 0.006 18817 3377 1 7 . 1 1 11 11 LEU N N 11 121.448 121.448 121.967 -0.519 18817 3378 1 7 . 1 1 11 11 LEU C C 11 178.255 178.255 178.876 -0.621 18817 3379 1 7 . 1 1 11 11 LEU CA C 11 57.614 57.614 58.499 -0.885 18817 3380 1 7 . 1 1 11 11 LEU CB C 11 40.574 40.574 41.090 -0.515 18817 3381 1 7 . 1 1 11 11 LEU H H 11 7.958 7.958 7.433 0.525 18817 3382 1 7 . 1 1 12 12 GLU N N 12 117.911 117.911 119.180 -1.269 18817 3383 1 7 . 1 1 12 12 GLU C C 12 177.809 177.809 178.870 -1.061 18817 3384 1 7 . 1 1 12 12 GLU CA C 12 59.675 59.675 59.593 0.082 18817 3385 1 7 . 1 1 12 12 GLU CB C 12 27.358 27.358 29.190 -1.832 18817 3386 1 7 . 1 1 12 12 GLU H H 12 8.206 8.206 7.746 0.460 18817 3387 1 7 . 1 1 13 13 ASP C C 13 178.880 178.880 178.768 0.112 18817 3388 1 7 . 1 1 13 13 ASP CA C 13 58.468 58.468 57.577 0.891 18817 3389 1 7 . 1 1 13 13 ASP CB C 13 40.613 40.613 40.604 0.009 18817 3390 1 7 . 1 1 14 14 VAL N N 14 118.703 118.703 119.888 -1.185 18817 3391 1 7 . 1 1 14 14 VAL C C 14 177.885 177.885 178.272 -0.387 18817 3392 1 7 . 1 1 14 14 VAL CA C 14 66.212 66.212 66.035 0.177 18817 3393 1 7 . 1 1 14 14 VAL CB C 14 30.614 30.614 31.436 -0.823 18817 3394 1 7 . 1 1 14 14 VAL H H 14 8.943 8.943 7.611 1.332 18817 3395 1 7 . 1 1 15 15 PHE N N 15 118.897 118.897 119.027 -0.130 18817 3396 1 7 . 1 1 15 15 PHE C C 15 177.542 177.542 178.292 -0.750 18817 3397 1 7 . 1 1 15 15 PHE CA C 15 61.165 61.165 61.783 -0.618 18817 3398 1 7 . 1 1 15 15 PHE CB C 15 37.723 37.723 38.523 -0.800 18817 3399 1 7 . 1 1 15 15 PHE H H 15 8.379 8.379 8.295 0.084 18817 3400 1 7 . 1 1 16 16 ARG N N 16 119.285 119.285 120.069 -0.784 18817 3401 1 7 . 1 1 16 16 ARG C C 16 177.852 177.852 178.453 -0.601 18817 3402 1 7 . 1 1 16 16 ARG CA C 16 59.972 59.972 59.897 0.075 18817 3403 1 7 . 1 1 16 16 ARG CB C 16 29.491 29.491 30.227 -0.736 18817 3404 1 7 . 1 1 16 16 ARG H H 16 8.455 8.455 8.979 -0.524 18817 3405 1 7 . 1 1 17 17 ARG N N 17 117.721 117.721 119.809 -2.088 18817 3406 1 7 . 1 1 17 17 ARG C C 17 179.606 179.606 178.688 0.918 18817 3407 1 7 . 1 1 17 17 ARG CA C 17 58.965 58.965 59.419 -0.453 18817 3408 1 7 . 1 1 17 17 ARG CB C 17 29.220 29.220 30.131 -0.911 18817 3409 1 7 . 1 1 17 17 ARG H H 17 7.816 7.816 8.231 -0.415 18817 3410 1 7 . 1 1 18 18 ILE N N 18 121.097 121.097 119.774 1.323 18817 3411 1 7 . 1 1 18 18 ILE C C 18 177.115 177.115 178.385 -1.270 18817 3412 1 7 . 1 1 18 18 ILE CA C 18 64.570 64.570 65.223 -0.653 18817 3413 1 7 . 1 1 18 18 ILE CB C 18 37.150 37.150 37.722 -0.572 18817 3414 1 7 . 1 1 18 18 ILE H H 18 8.180 8.180 8.138 0.042 18817 3415 1 7 . 1 1 19 19 PHE N N 19 120.545 120.545 120.830 -0.285 18817 3416 1 7 . 1 1 19 19 PHE C C 19 177.154 177.154 177.469 -0.315 18817 3417 1 7 . 1 1 19 19 PHE CA C 19 61.665 61.665 63.002 -1.337 18817 3418 1 7 . 1 1 19 19 PHE CB C 19 38.609 38.609 39.230 -0.621 18817 3419 1 7 . 1 1 19 19 PHE H H 19 8.407 8.407 7.916 0.491 18817 3420 1 7 . 1 1 20 20 ILE N N 20 118.206 118.206 116.916 1.290 18817 3421 1 7 . 1 1 20 20 ILE C C 20 177.915 177.915 178.069 -0.154 18817 3422 1 7 . 1 1 20 20 ILE CA C 20 63.965 63.965 65.216 -1.252 18817 3423 1 7 . 1 1 20 20 ILE CB C 20 36.828 36.828 37.450 -0.622 18817 3424 1 7 . 1 1 20 20 ILE H H 20 8.350 8.350 8.253 0.097 18817 3425 1 7 . 1 1 21 21 THR N N 21 116.423 116.423 116.889 -0.466 18817 3426 1 7 . 1 1 21 21 THR C C 21 176.419 176.419 176.350 0.069 18817 3427 1 7 . 1 1 21 21 THR CA C 21 66.069 66.069 66.598 -0.529 18817 3428 1 7 . 1 1 21 21 THR CB C 21 68.168 68.168 68.931 -0.763 18817 3429 1 7 . 1 1 21 21 THR H H 21 7.692 7.692 8.049 -0.357 18817 3430 1 7 . 1 1 22 22 TYR N N 22 121.108 121.108 123.478 -2.370 18817 3431 1 7 . 1 1 22 22 TYR C C 22 177.398 177.398 177.926 -0.528 18817 3432 1 7 . 1 1 22 22 TYR CA C 22 60.953 60.953 61.577 -0.624 18817 3433 1 7 . 1 1 22 22 TYR CB C 22 37.643 37.643 38.421 -0.778 18817 3434 1 7 . 1 1 22 22 TYR H H 22 8.028 8.028 8.408 -0.380 18817 3435 1 7 . 1 1 23 23 MET N N 23 118.337 118.337 117.670 0.667 18817 3436 1 7 . 1 1 23 23 MET C C 23 178.156 178.156 177.843 0.313 18817 3437 1 7 . 1 1 23 23 MET CA C 23 57.078 57.078 58.086 -1.008 18817 3438 1 7 . 1 1 23 23 MET CB C 23 30.583 30.583 32.256 -1.673 18817 3439 1 7 . 1 1 23 23 MET H H 23 8.135 8.135 8.922 -0.787 18817 3440 1 7 . 1 1 24 24 ASP N N 24 118.883 118.883 119.130 -0.247 18817 3441 1 7 . 1 1 24 24 ASP C C 24 177.682 177.682 177.823 -0.141 18817 3442 1 7 . 1 1 24 24 ASP CA C 24 56.222 56.222 56.900 -0.678 18817 3443 1 7 . 1 1 24 24 ASP CB C 24 39.820 39.820 40.838 -1.018 18817 3444 1 7 . 1 1 24 24 ASP H H 24 8.208 8.208 7.942 0.266 18817 3445 1 7 . 1 1 25 25 ASN N N 25 116.989 116.989 118.586 -1.597 18817 3446 1 7 . 1 1 25 25 ASN C C 25 176.452 176.452 177.409 -0.957 18817 3447 1 7 . 1 1 25 25 ASN CA C 25 54.859 54.859 56.009 -1.150 18817 3448 1 7 . 1 1 25 25 ASN CB C 25 38.679 38.679 37.526 1.153 18817 3449 1 7 . 1 1 25 25 ASN H H 25 7.746 7.746 7.936 -0.190 18817 3450 1 7 . 1 1 26 26 TRP N N 26 120.811 120.811 121.580 -0.769 18817 3451 1 7 . 1 1 26 26 TRP C C 26 177.694 177.694 177.729 -0.035 18817 3452 1 7 . 1 1 26 26 TRP CA C 26 58.922 58.922 60.689 -1.767 18817 3453 1 7 . 1 1 26 26 TRP CB C 26 28.772 28.772 29.458 -0.686 18817 3454 1 7 . 1 1 26 26 TRP H H 26 7.951 7.951 7.398 0.553 18817 3455 1 7 . 1 1 27 27 ARG N N 27 119.926 119.926 118.689 1.237 18817 3456 1 7 . 1 1 27 27 ARG C C 27 177.355 177.355 179.174 -1.819 18817 3457 1 7 . 1 1 27 27 ARG CA C 27 57.844 57.844 58.698 -0.854 18817 3458 1 7 . 1 1 27 27 ARG CB C 27 29.249 29.249 29.949 -0.700 18817 3459 1 7 . 1 1 27 27 ARG H H 27 7.971 7.971 7.708 0.263 18817 3460 1 7 . 1 1 28 28 GLN N N 28 118.022 118.022 118.184 -0.162 18817 3461 1 7 . 1 1 28 28 GLN C C 28 176.547 176.547 177.669 -1.122 18817 3462 1 7 . 1 1 28 28 GLN CA C 28 56.751 56.751 58.871 -2.120 18817 3463 1 7 . 1 1 28 28 GLN CB C 28 28.167 28.167 28.290 -0.123 18817 3464 1 7 . 1 1 28 28 GLN H H 28 7.868 7.868 7.872 -0.004 18817 3465 1 7 . 1 1 29 29 ASN N N 29 118.257 118.257 117.825 0.432 18817 3466 1 7 . 1 1 29 29 ASN C C 29 175.576 175.576 176.791 -1.215 18817 3467 1 7 . 1 1 29 29 ASN CA C 29 53.311 53.311 55.852 -2.541 18817 3468 1 7 . 1 1 29 29 ASN CB C 29 38.530 38.530 38.067 0.463 18817 3469 1 7 . 1 1 29 29 ASN H H 29 7.915 7.915 7.642 0.273 18817 3470 1 7 . 1 1 30 30 THR N N 30 113.464 113.464 116.152 -2.688 18817 3471 1 7 . 1 1 30 30 THR HA H 30 4.348 4.348 3.978 0.370 18817 3472 1 7 . 1 1 30 30 THR C C 30 175.453 175.453 176.670 -1.217 18817 3473 1 7 . 1 1 30 30 THR CA C 30 62.528 62.528 66.397 -3.869 18817 3474 1 7 . 1 1 30 30 THR CB C 30 69.103 69.103 68.754 0.349 18817 3475 1 7 . 1 1 30 30 THR H H 30 7.840 7.840 7.741 0.099 18817 3476 1 7 . 1 1 31 31 THR N N 31 116.868 116.868 119.506 -2.638 18817 3477 1 7 . 1 1 31 31 THR C C 31 175.450 175.450 175.566 -0.116 18817 3478 1 7 . 1 1 31 31 THR CA C 31 63.705 63.705 66.600 -2.894 18817 3479 1 7 . 1 1 31 31 THR CB C 31 69.132 69.132 68.706 0.426 18817 3480 1 7 . 1 1 31 31 THR H H 31 7.955 7.955 7.645 0.310 18817 3481 1 7 . 1 1 32 32 ALA N N 32 124.803 124.803 122.922 1.881 18817 3482 1 7 . 1 1 32 32 ALA C C 32 179.686 179.686 178.681 1.005 18817 3483 1 7 . 1 1 32 32 ALA CA C 32 53.748 53.748 54.826 -1.078 18817 3484 1 7 . 1 1 32 32 ALA CB C 32 17.669 17.669 17.984 -0.315 18817 3485 1 7 . 1 1 32 32 ALA H H 32 8.226 8.226 7.515 0.711 18817 3486 1 7 . 1 1 33 33 GLU N N 33 118.847 118.847 118.544 0.303 18817 3487 1 7 . 1 1 33 33 GLU C C 33 177.525 177.525 178.792 -1.267 18817 3488 1 7 . 1 1 33 33 GLU CA C 33 58.026 58.026 60.001 -1.975 18817 3489 1 7 . 1 1 33 33 GLU CB C 33 27.793 27.793 29.210 -1.417 18817 3490 1 7 . 1 1 33 33 GLU H H 33 8.153 8.153 7.828 0.325 18817 3491 1 7 . 1 1 34 34 GLN N N 34 119.840 119.840 118.219 1.621 18817 3492 1 7 . 1 1 34 34 GLN C C 34 177.628 177.628 178.586 -0.958 18817 3493 1 7 . 1 1 34 34 GLN CA C 34 57.976 57.976 58.457 -0.481 18817 3494 1 7 . 1 1 34 34 GLN CB C 34 27.786 27.786 28.724 -0.938 18817 3495 1 7 . 1 1 34 34 GLN H H 34 8.109 8.109 7.570 0.539 18817 3496 1 7 . 1 1 35 35 GLU N N 35 119.894 119.894 119.792 0.102 18817 3497 1 7 . 1 1 35 35 GLU C C 35 178.149 178.149 178.763 -0.614 18817 3498 1 7 . 1 1 35 35 GLU CA C 35 58.160 58.160 58.713 -0.553 18817 3499 1 7 . 1 1 35 35 GLU CB C 35 28.337 28.337 29.778 -1.441 18817 3500 1 7 . 1 1 35 35 GLU H H 35 8.170 8.170 7.424 0.746 18817 3501 1 7 . 1 1 36 36 ALA N N 36 123.045 123.045 122.632 0.413 18817 3502 1 7 . 1 1 36 36 ALA C C 36 179.303 179.303 179.747 -0.444 18817 3503 1 7 . 1 1 36 36 ALA CA C 36 53.615 53.615 55.071 -1.456 18817 3504 1 7 . 1 1 36 36 ALA CB C 36 17.788 17.788 18.227 -0.439 18817 3505 1 7 . 1 1 36 36 ALA H H 36 7.884 7.884 8.278 -0.394 18817 3506 1 7 . 1 1 37 37 LEU N N 37 119.469 119.469 117.765 1.704 18817 3507 1 7 . 1 1 37 37 LEU C C 37 178.226 178.226 179.832 -1.606 18817 3508 1 7 . 1 1 37 37 LEU CA C 37 56.671 56.671 58.515 -1.844 18817 3509 1 7 . 1 1 37 37 LEU CB C 37 40.965 40.965 41.696 -0.731 18817 3510 1 7 . 1 1 37 37 LEU H H 37 7.907 7.907 7.601 0.306 18817 3511 1 7 . 1 1 38 38 GLN N N 38 118.655 118.655 117.372 1.283 18817 3512 1 7 . 1 1 38 38 GLN C C 38 176.775 176.775 178.398 -1.623 18817 3513 1 7 . 1 1 38 38 GLN CA C 38 57.420 57.420 57.861 -0.441 18817 3514 1 7 . 1 1 38 38 GLN CB C 38 28.042 28.042 28.195 -0.153 18817 3515 1 7 . 1 1 38 38 GLN H H 38 8.097 8.097 7.673 0.424 18817 3516 1 7 . 1 1 39 39 ALA N N 39 121.284 121.284 122.548 -1.264 18817 3517 1 7 . 1 1 39 39 ALA C C 39 178.516 178.516 178.121 0.395 18817 3518 1 7 . 1 1 39 39 ALA CA C 39 53.221 53.221 54.776 -1.555 18817 3519 1 7 . 1 1 39 39 ALA CB C 39 18.032 18.032 18.294 -0.262 18817 3520 1 7 . 1 1 39 39 ALA H H 39 7.724 7.724 7.880 -0.156 18817 3521 1 7 . 1 1 40 40 LYS N N 40 118.343 118.343 117.045 1.298 18817 3522 1 7 . 1 1 40 40 LYS C C 40 176.835 176.835 177.169 -0.334 18817 3523 1 7 . 1 1 40 40 LYS CA C 40 56.436 56.436 58.174 -1.738 18817 3524 1 7 . 1 1 40 40 LYS CB C 40 32.005 32.005 32.967 -0.962 18817 3525 1 7 . 1 1 40 40 LYS H H 40 7.702 7.702 7.723 -0.021 18817 3526 1 7 . 1 1 41 41 VAL N N 41 118.825 118.825 117.311 1.514 18817 3527 1 7 . 1 1 41 41 VAL C C 41 175.383 175.383 174.274 1.109 18817 3528 1 7 . 1 1 41 41 VAL CA C 41 62.305 62.305 60.847 1.458 18817 3529 1 7 . 1 1 41 41 VAL CB C 41 31.695 31.695 34.229 -2.534 18817 3530 1 7 . 1 1 41 41 VAL H H 41 7.723 7.723 7.448 0.275 18817 3531 1 7 . 1 1 42 42 ASP N N 42 122.980 122.980 119.257 3.723 18817 3532 1 7 . 1 1 42 42 ASP HA H 42 4.323 4.323 4.450 -0.127 18817 3533 1 7 . 1 1 42 42 ASP C C 42 176.128 176.128 177.056 -0.928 18817 3534 1 7 . 1 1 42 42 ASP CA C 42 53.641 53.641 55.510 -1.869 18817 3535 1 7 . 1 1 42 42 ASP CB C 42 40.281 40.281 38.892 1.389 18817 3536 1 7 . 1 1 42 42 ASP H H 42 8.229 8.229 8.739 -0.510 18817 3537 1 7 . 1 1 43 43 ALA N N 43 123.146 123.146 121.001 2.145 18817 3538 1 7 . 1 1 43 43 ALA C C 43 178.308 178.308 178.586 -0.278 18817 3539 1 7 . 1 1 43 43 ALA CA C 43 53.366 53.366 54.586 -1.220 18817 3540 1 7 . 1 1 43 43 ALA CB C 43 18.215 18.215 18.646 -0.431 18817 3541 1 7 . 1 1 43 43 ALA H H 43 8.095 8.095 8.382 -0.287 18817 3542 1 7 . 1 1 44 44 GLU N N 44 117.625 117.625 117.451 0.174 18817 3543 1 7 . 1 1 44 44 GLU C C 44 176.974 176.974 175.555 1.419 18817 3544 1 7 . 1 1 44 44 GLU CA C 44 57.011 57.011 56.281 0.730 18817 3545 1 7 . 1 1 44 44 GLU CB C 44 28.434 28.434 28.665 -0.231 18817 3546 1 7 . 1 1 44 44 GLU H H 44 8.173 8.173 8.322 -0.149 18817 3547 1 7 . 1 1 45 45 ASN N N 45 117.214 117.214 116.304 0.910 18817 3548 1 7 . 1 1 45 45 ASN C C 45 176.652 176.652 175.926 0.726 18817 3549 1 7 . 1 1 45 45 ASN CA C 45 53.544 53.544 53.482 0.062 18817 3550 1 7 . 1 1 45 45 ASN CB C 45 38.334 38.334 36.595 1.739 18817 3551 1 7 . 1 1 45 45 ASN H H 45 8.059 8.059 7.911 0.148 18817 3552 1 7 . 1 1 46 46 PHE N N 46 120.987 120.987 115.054 5.933 18817 3553 1 7 . 1 1 46 46 PHE C C 46 176.975 176.975 177.426 -0.451 18817 3554 1 7 . 1 1 46 46 PHE CA C 46 60.113 60.113 60.422 -0.309 18817 3555 1 7 . 1 1 46 46 PHE CB C 46 38.290 38.290 38.186 0.104 18817 3556 1 7 . 1 1 46 46 PHE H H 46 8.163 8.163 7.888 0.275 18817 3557 1 7 . 1 1 47 47 TYR N N 47 116.519 116.519 119.877 -3.358 18817 3558 1 7 . 1 1 47 47 TYR C C 47 176.063 176.063 177.208 -1.145 18817 3559 1 7 . 1 1 47 47 TYR CA C 47 60.569 60.569 62.440 -1.871 18817 3560 1 7 . 1 1 47 47 TYR CB C 47 36.886 36.886 38.236 -1.350 18817 3561 1 7 . 1 1 47 47 TYR H H 47 7.417 7.417 8.022 -0.605 18817 3562 1 7 . 1 1 48 48 TYR N N 48 116.519 116.519 117.546 -1.027 18817 3563 1 7 . 1 1 48 48 TYR C C 48 177.063 177.063 178.429 -1.366 18817 3564 1 7 . 1 1 48 48 TYR CA C 48 60.569 60.569 62.267 -1.698 18817 3565 1 7 . 1 1 48 48 TYR CB C 48 36.886 36.886 38.215 -1.329 18817 3566 1 7 . 1 1 48 48 TYR H H 48 7.417 7.417 7.978 -0.561 18817 3567 1 7 . 1 1 49 49 VAL N N 49 118.292 118.292 119.027 -0.735 18817 3568 1 7 . 1 1 49 49 VAL C C 49 177.154 177.154 177.765 -0.611 18817 3569 1 7 . 1 1 49 49 VAL CA C 49 66.194 66.194 66.334 -0.140 18817 3570 1 7 . 1 1 49 49 VAL CB C 49 30.389 30.389 31.562 -1.173 18817 3571 1 7 . 1 1 49 49 VAL H H 49 7.439 7.439 7.358 0.081 18817 3572 1 7 . 1 1 50 50 ILE N N 50 117.581 117.581 121.369 -3.788 18817 3573 1 7 . 1 1 50 50 ILE C C 50 177.307 177.307 178.274 -0.967 18817 3574 1 7 . 1 1 50 50 ILE CA C 50 63.876 63.876 66.027 -2.151 18817 3575 1 7 . 1 1 50 50 ILE CB C 50 35.725 35.725 37.703 -1.978 18817 3576 1 7 . 1 1 50 50 ILE H H 50 7.491 7.491 8.735 -1.244 18817 3577 1 7 . 1 1 51 51 LEU N N 51 120.363 120.363 120.086 0.277 18817 3578 1 7 . 1 1 51 51 LEU C C 51 178.335 178.335 178.672 -0.337 18817 3579 1 7 . 1 1 51 51 LEU CA C 51 58.042 58.042 57.755 0.287 18817 3580 1 7 . 1 1 51 51 LEU CB C 51 40.550 40.550 41.958 -1.408 18817 3581 1 7 . 1 1 51 51 LEU H H 51 7.699 7.699 7.726 -0.027 18817 3582 1 7 . 1 1 53 53 LEU C C 53 178.638 178.638 178.458 0.180 18817 3583 1 7 . 1 1 53 53 LEU CA C 53 57.795 57.795 57.741 0.054 18817 3584 1 7 . 1 1 53 53 LEU CB C 53 40.796 40.796 42.315 -1.519 18817 3585 1 7 . 1 1 54 54 MET N N 54 117.957 117.957 117.560 0.397 18817 3586 1 7 . 1 1 54 54 MET C C 54 178.471 178.471 177.807 0.664 18817 3587 1 7 . 1 1 54 54 MET CA C 54 58.432 58.432 58.334 0.098 18817 3588 1 7 . 1 1 54 54 MET CB C 54 31.395 31.395 31.873 -0.478 18817 3589 1 7 . 1 1 54 54 MET H H 54 8.396 8.396 7.901 0.495 18817 3590 1 7 . 1 1 56 56 MET C C 56 177.895 177.895 178.683 -0.788 18817 3591 1 7 . 1 1 56 56 MET CA C 56 58.793 58.793 59.590 -0.797 18817 3592 1 7 . 1 1 57 57 ILE N N 57 119.111 119.111 117.461 1.650 18817 3593 1 7 . 1 1 57 57 ILE C C 57 179.504 179.504 178.377 1.127 18817 3594 1 7 . 1 1 57 57 ILE CA C 57 64.890 64.890 65.074 -0.184 18817 3595 1 7 . 1 1 57 57 ILE CB C 57 36.497 36.497 36.504 -0.007 18817 3596 1 7 . 1 1 57 57 ILE H H 57 8.556 8.556 7.851 0.705 18817 3597 1 7 . 1 1 58 58 GLY N N 58 111.097 111.097 108.438 2.659 18817 3598 1 7 . 1 1 58 58 GLY C C 58 174.211 174.211 176.578 -2.367 18817 3599 1 7 . 1 1 58 58 GLY CA C 58 47.038 47.038 47.260 -0.222 18817 3600 1 7 . 1 1 58 58 GLY H H 58 8.745 8.745 7.605 1.140 18817 3601 1 7 . 1 1 59 59 MET N N 59 120.903 120.903 121.488 -0.585 18817 3602 1 7 . 1 1 59 59 MET C C 59 178.075 178.075 178.192 -0.117 18817 3603 1 7 . 1 1 59 59 MET CA C 59 58.763 58.763 56.738 2.025 18817 3604 1 7 . 1 1 59 59 MET CB C 59 32.415 32.415 32.014 0.401 18817 3605 1 7 . 1 1 59 59 MET H H 59 8.612 8.612 8.597 0.015 18817 3606 1 7 . 1 1 60 60 PHE N N 60 117.888 117.888 120.898 -3.010 18817 3607 1 7 . 1 1 60 60 PHE C C 60 177.292 177.292 177.275 0.017 18817 3608 1 7 . 1 1 60 60 PHE CA C 60 60.486 60.486 61.285 -0.799 18817 3609 1 7 . 1 1 60 60 PHE CB C 60 38.213 38.213 39.035 -0.822 18817 3610 1 7 . 1 1 60 60 PHE H H 60 8.495 8.495 8.752 -0.257 18817 3611 1 7 . 1 1 61 61 SER N N 61 115.530 115.530 115.771 -0.241 18817 3612 1 7 . 1 1 61 61 SER C C 61 175.141 175.141 176.353 -1.212 18817 3613 1 7 . 1 1 61 61 SER CA C 61 63.198 63.198 61.954 1.244 18817 3614 1 7 . 1 1 61 61 SER CB C 61 62.050 62.050 62.894 -0.844 18817 3615 1 7 . 1 1 61 61 SER H H 61 8.338 8.338 8.754 -0.416 18817 3616 1 7 . 1 1 62 62 PHE N N 62 121.237 121.237 122.505 -1.268 18817 3617 1 7 . 1 1 62 62 PHE C C 62 176.761 176.761 176.850 -0.089 18817 3618 1 7 . 1 1 62 62 PHE CA C 62 60.791 60.791 61.555 -0.764 18817 3619 1 7 . 1 1 62 62 PHE CB C 62 38.124 38.124 39.068 -0.944 18817 3620 1 7 . 1 1 62 62 PHE H H 62 8.077 8.077 7.463 0.614 18817 3621 1 7 . 1 1 64 64 ILE N N 64 118.608 118.608 119.662 -1.054 18817 3622 1 7 . 1 1 64 64 ILE C C 64 177.805 177.805 177.741 0.064 18817 3623 1 7 . 1 1 64 64 ILE CA C 64 64.465 64.465 65.501 -1.036 18817 3624 1 7 . 1 1 64 64 ILE CB C 64 35.984 35.984 37.424 -1.440 18817 3625 1 7 . 1 1 64 64 ILE H H 64 7.956 7.956 7.189 0.767 18817 3626 1 7 . 1 1 65 65 VAL N N 65 119.395 119.395 119.512 -0.117 18817 3627 1 7 . 1 1 65 65 VAL C C 65 177.045 177.045 177.525 -0.480 18817 3628 1 7 . 1 1 65 65 VAL CA C 65 66.773 66.773 67.443 -0.670 18817 3629 1 7 . 1 1 65 65 VAL CB C 65 30.099 30.099 31.220 -1.121 18817 3630 1 7 . 1 1 65 65 VAL H H 65 8.137 8.137 7.476 0.661 18817 3631 1 7 . 1 1 67 67 ILE C C 67 179.153 179.153 178.313 0.840 18817 3632 1 7 . 1 1 67 67 ILE CA C 67 64.933 64.933 65.180 -0.247 18817 3633 1 7 . 1 1 67 67 ILE CB C 67 36.977 36.977 37.839 -0.862 18817 3634 1 7 . 1 1 68 68 LEU N N 68 123.998 123.998 121.588 2.410 18817 3635 1 7 . 1 1 68 68 LEU HA H 68 4.301 4.301 4.112 0.189 18817 3636 1 7 . 1 1 68 68 LEU CA C 68 58.529 58.529 58.442 0.087 18817 3637 1 7 . 1 1 68 68 LEU CB C 68 40.768 40.768 41.597 -0.829 18817 3638 1 7 . 1 1 68 68 LEU H H 68 8.540 8.540 8.124 0.416 18817 3639 1 7 . 1 1 69 69 VAL N N 69 120.584 120.584 118.906 1.678 18817 3640 1 7 . 1 1 69 69 VAL C C 69 177.859 177.859 178.152 -0.293 18817 3641 1 7 . 1 1 69 69 VAL CA C 69 65.949 65.949 67.777 -1.828 18817 3642 1 7 . 1 1 69 69 VAL CB C 69 30.847 30.847 31.309 -0.462 18817 3643 1 7 . 1 1 69 69 VAL H H 69 8.173 8.173 8.488 -0.315 18817 3644 1 7 . 1 1 70 70 SER N N 70 114.121 114.121 114.380 -0.259 18817 3645 1 7 . 1 1 70 70 SER CA C 70 61.630 61.630 61.986 -0.355 18817 3646 1 7 . 1 1 70 70 SER CB C 70 62.527 62.527 62.812 -0.285 18817 3647 1 7 . 1 1 70 70 SER H H 70 7.898 7.898 7.636 0.262 18817 3648 1 7 . 1 1 71 71 THR HA H 71 4.300 4.300 4.046 0.254 18817 3649 1 7 . 1 1 71 71 THR C C 71 176.381 176.381 177.024 -0.643 18817 3650 1 7 . 1 1 71 71 THR CA C 71 65.981 65.981 65.977 0.004 18817 3651 1 7 . 1 1 71 71 THR CB C 71 68.416 68.416 68.682 -0.266 18817 3652 1 7 . 1 1 72 72 VAL N N 72 121.958 121.958 122.703 -0.745 18817 3653 1 7 . 1 1 72 72 VAL C C 72 177.791 177.791 178.348 -0.557 18817 3654 1 7 . 1 1 72 72 VAL CA C 72 65.532 65.532 66.147 -0.615 18817 3655 1 7 . 1 1 72 72 VAL CB C 72 30.882 30.882 31.715 -0.833 18817 3656 1 7 . 1 1 72 72 VAL H H 72 8.092 8.092 8.573 -0.481 18817 3657 1 7 . 1 1 73 73 LYS C C 73 178.310 178.310 179.085 -0.775 18817 3658 1 7 . 1 1 73 73 LYS CA C 73 58.279 58.279 59.289 -1.010 18817 3659 1 7 . 1 1 73 73 LYS CB C 73 31.350 31.350 32.220 -0.870 18817 3660 1 7 . 1 1 74 74 SER N N 74 114.589 114.589 115.168 -0.579 18817 3661 1 7 . 1 1 74 74 SER C C 74 175.895 175.895 175.759 0.136 18817 3662 1 7 . 1 1 74 74 SER CA C 74 59.979 59.979 60.404 -0.425 18817 3663 1 7 . 1 1 74 74 SER CB C 74 62.823 62.823 62.685 0.138 18817 3664 1 7 . 1 1 74 74 SER H H 74 7.816 7.816 8.289 -0.473 18817 3665 1 7 . 1 1 75 75 LYS N N 75 121.984 121.984 122.970 -0.986 18817 3666 1 7 . 1 1 75 75 LYS C C 75 177.649 177.649 178.458 -0.809 18817 3667 1 7 . 1 1 75 75 LYS CA C 75 56.892 56.892 58.742 -1.851 18817 3668 1 7 . 1 1 75 75 LYS CB C 75 31.263 31.263 32.105 -0.841 18817 3669 1 7 . 1 1 75 75 LYS H H 75 7.964 7.964 7.478 0.486 18817 3670 1 7 . 1 1 76 76 ARG N N 76 119.656 119.656 117.847 1.809 18817 3671 1 7 . 1 1 76 76 ARG C C 76 177.010 177.010 177.238 -0.228 18817 3672 1 7 . 1 1 76 76 ARG CA C 76 56.671 56.671 58.358 -1.688 18817 3673 1 7 . 1 1 76 76 ARG CB C 76 29.471 29.471 29.992 -0.521 18817 3674 1 7 . 1 1 76 76 ARG H H 76 7.909 7.909 7.532 0.377 18817 3675 1 7 . 1 1 77 77 ARG N N 77 120.815 120.815 116.963 3.852 18817 3676 1 7 . 1 1 77 77 ARG C C 77 176.633 176.633 176.687 -0.054 18817 3677 1 7 . 1 1 77 77 ARG CA C 77 56.355 56.355 56.592 -0.236 18817 3678 1 7 . 1 1 77 77 ARG CB C 77 29.718 29.718 30.595 -0.877 18817 3679 1 7 . 1 1 77 77 ARG H H 77 7.860 7.860 7.606 0.254 18817 3680 1 7 . 1 1 78 78 GLU N N 78 120.635 120.635 118.845 1.790 18817 3681 1 7 . 1 1 78 78 GLU C C 78 176.320 176.320 177.098 -0.778 18817 3682 1 7 . 1 1 78 78 GLU CA C 78 56.368 56.368 56.505 -0.137 18817 3683 1 7 . 1 1 78 78 GLU CB C 78 29.083 29.083 30.472 -1.389 18817 3684 1 7 . 1 1 78 78 GLU H H 78 8.119 8.119 8.228 -0.109 18817 3685 1 7 . 1 1 79 79 HIS N N 79 117.659 117.659 117.804 -0.145 18817 3686 1 7 . 1 1 79 79 HIS C C 79 174.583 174.583 175.779 -1.196 18817 3687 1 7 . 1 1 79 79 HIS CA C 79 54.918 54.918 57.894 -2.975 18817 3688 1 7 . 1 1 79 79 HIS CB C 79 28.249 28.249 30.191 -1.942 18817 3689 1 7 . 1 1 79 79 HIS H H 79 8.042 8.042 8.480 -0.438 18817 3690 1 7 . 1 1 80 80 SER N N 80 116.920 116.920 113.266 3.654 18817 3691 1 7 . 1 1 80 80 SER C C 80 174.323 174.323 174.201 0.122 18817 3692 1 7 . 1 1 80 80 SER CA C 80 58.377 58.377 58.434 -0.057 18817 3693 1 7 . 1 1 80 80 SER CB C 80 63.113 63.113 64.133 -1.020 18817 3694 1 7 . 1 1 80 80 SER H H 80 8.151 8.151 8.522 -0.371 18817 3695 1 7 . 1 1 81 81 ASN N N 81 120.963 120.963 121.487 -0.524 18817 3696 1 7 . 1 1 81 81 ASN C C 81 174.436 174.436 174.094 0.342 18817 3697 1 7 . 1 1 81 81 ASN CA C 81 52.945 52.945 54.344 -1.399 18817 3698 1 7 . 1 1 81 81 ASN CB C 81 38.324 38.324 38.978 -0.654 18817 3699 1 7 . 1 1 81 81 ASN H H 81 8.411 8.411 8.406 0.005 18817 3700 1 7 . 1 1 83 83 PRO C C 83 176.072 176.072 175.325 0.747 18817 3701 1 7 . 1 1 83 83 PRO CA C 83 62.420 62.420 62.625 -0.205 18817 3702 1 7 . 1 1 83 83 PRO CB C 83 33.212 33.212 32.045 1.167 18817 3703 1 7 . 1 1 84 84 TYR N N 84 124.146 124.146 119.593 4.553 18817 3704 1 7 . 1 1 84 84 TYR C C 84 176.670 176.670 176.971 -0.301 18817 3705 1 7 . 1 1 84 84 TYR CA C 84 55.352 55.352 57.420 -2.068 18817 3706 1 7 . 1 1 84 84 TYR CB C 84 40.958 40.958 38.944 2.014 18817 3707 1 7 . 1 1 84 84 TYR H H 84 8.487 8.487 7.705 0.782 18817 3708 1 7 . 1 1 86 86 GLN C C 86 177.884 177.884 177.807 0.077 18817 3709 1 7 . 1 1 86 86 GLN CA C 86 59.593 59.593 58.173 1.419 18817 3710 1 7 . 1 1 86 86 GLN CB C 86 27.335 27.335 28.841 -1.506 18817 3711 1 7 . 1 1 87 87 TYR N N 87 119.339 119.339 120.117 -0.778 18817 3712 1 7 . 1 1 87 87 TYR C C 87 178.922 178.922 177.557 1.365 18817 3713 1 7 . 1 1 87 87 TYR CA C 87 57.225 57.225 60.433 -3.208 18817 3714 1 7 . 1 1 87 87 TYR CB C 87 40.155 40.155 38.428 1.727 18817 3715 1 7 . 1 1 87 87 TYR H H 87 7.981 7.981 8.249 -0.268 18817 3716 1 7 . 1 1 88 88 ILE C C 88 175.951 175.951 177.459 -1.508 18817 3717 1 7 . 1 1 89 89 VAL N N 89 119.921 119.921 115.365 4.556 18817 3718 1 7 . 1 1 89 89 VAL C C 89 177.806 177.806 177.614 0.192 18817 3719 1 7 . 1 1 89 89 VAL CA C 89 63.289 63.289 65.232 -1.943 18817 3720 1 7 . 1 1 89 89 VAL CB C 89 31.247 31.247 30.966 0.281 18817 3721 1 7 . 1 1 89 89 VAL H H 89 7.397 7.397 7.298 0.099 18817 3722 1 7 . 1 1 90 90 GLU N N 90 119.266 119.266 119.569 -0.303 18817 3723 1 7 . 1 1 90 90 GLU C C 90 178.316 178.316 178.032 0.284 18817 3724 1 7 . 1 1 90 90 GLU CA C 90 58.285 58.285 58.661 -0.376 18817 3725 1 7 . 1 1 90 90 GLU CB C 90 31.270 31.270 29.079 2.191 18817 3726 1 7 . 1 1 90 90 GLU H H 90 8.111 8.111 7.519 0.592 18817 3727 1 7 . 1 1 91 91 ASP C C 91 177.542 177.542 177.755 -0.213 18817 3728 1 7 . 1 1 91 91 ASP CA C 91 56.637 56.637 56.545 0.092 18817 3729 1 7 . 1 1 91 91 ASP CB C 91 38.852 38.852 39.743 -0.891 18817 3730 1 7 . 1 1 92 92 TRP N N 92 120.874 120.874 122.027 -1.153 18817 3731 1 7 . 1 1 92 92 TRP C C 92 177.384 177.384 177.781 -0.397 18817 3732 1 7 . 1 1 92 92 TRP CA C 92 59.510 59.510 59.964 -0.454 18817 3733 1 7 . 1 1 92 92 TRP CB C 92 27.817 27.817 29.701 -1.884 18817 3734 1 7 . 1 1 92 92 TRP H H 92 7.852 7.852 7.463 0.389 18817 3735 1 7 . 1 1 93 93 GLN N N 93 119.478 119.478 116.138 3.340 18817 3736 1 7 . 1 1 93 93 GLN C C 93 177.653 177.653 178.291 -0.638 18817 3737 1 7 . 1 1 93 93 GLN CA C 93 58.991 58.991 59.166 -0.175 18817 3738 1 7 . 1 1 93 93 GLN CB C 93 27.205 27.205 28.293 -1.088 18817 3739 1 7 . 1 1 93 93 GLN H H 93 8.010 8.010 7.860 0.150 18817 3740 1 7 . 1 1 94 94 GLU N N 94 117.531 117.531 119.773 -2.242 18817 3741 1 7 . 1 1 94 94 GLU C C 94 178.798 178.798 178.562 0.236 18817 3742 1 7 . 1 1 94 94 GLU CA C 94 57.794 57.794 59.134 -1.340 18817 3743 1 7 . 1 1 94 94 GLU CB C 94 28.816 28.816 29.518 -0.702 18817 3744 1 7 . 1 1 94 94 GLU H H 94 7.589 7.589 7.750 -0.161 18817 3745 1 7 . 1 1 95 95 LYS N N 95 119.905 119.905 118.264 1.641 18817 3746 1 7 . 1 1 95 95 LYS C C 95 178.416 178.416 178.692 -0.276 18817 3747 1 7 . 1 1 95 95 LYS CA C 95 58.576 58.576 58.385 0.191 18817 3748 1 7 . 1 1 95 95 LYS CB C 95 32.120 32.120 32.182 -0.062 18817 3749 1 7 . 1 1 95 95 LYS H H 95 7.832 7.832 7.298 0.534 18817 3750 1 7 . 1 1 96 96 TYR N N 96 117.063 117.063 119.886 -2.823 18817 3751 1 7 . 1 1 96 96 TYR C C 96 176.535 176.535 177.100 -0.565 18817 3752 1 7 . 1 1 96 96 TYR CA C 96 58.804 58.804 60.517 -1.713 18817 3753 1 7 . 1 1 96 96 TYR CB C 96 37.106 37.106 38.781 -1.675 18817 3754 1 7 . 1 1 96 96 TYR H H 96 7.916 7.916 8.199 -0.283 18817 3755 1 7 . 1 1 97 97 LYS N N 97 120.781 120.781 120.486 0.295 18817 3756 1 7 . 1 1 97 97 LYS C C 97 178.281 178.281 178.411 -0.130 18817 3757 1 7 . 1 1 97 97 LYS CA C 97 59.605 59.605 59.804 -0.199 18817 3758 1 7 . 1 1 97 97 LYS CB C 97 31.265 31.265 32.089 -0.824 18817 3759 1 7 . 1 1 97 97 LYS H H 97 7.610 7.610 7.774 -0.164 18817 3760 1 7 . 1 1 98 98 SER N N 98 113.319 113.319 114.626 -1.307 18817 3761 1 7 . 1 1 98 98 SER C C 98 176.355 176.355 176.317 0.038 18817 3762 1 7 . 1 1 98 98 SER CA C 98 60.840 60.840 61.804 -0.964 18817 3763 1 7 . 1 1 98 98 SER CB C 98 61.944 61.944 62.501 -0.557 18817 3764 1 7 . 1 1 98 98 SER H H 98 8.180 8.180 7.793 0.387 18817 3765 1 7 . 1 1 99 99 GLN N N 99 121.218 121.218 120.596 0.622 18817 3766 1 7 . 1 1 99 99 GLN C C 99 178.134 178.134 178.263 -0.129 18817 3767 1 7 . 1 1 99 99 GLN CA C 99 58.234 58.234 58.802 -0.568 18817 3768 1 7 . 1 1 99 99 GLN CB C 99 27.521 27.521 28.362 -0.841 18817 3769 1 7 . 1 1 99 99 GLN H H 99 7.822 7.822 7.489 0.333 18817 3770 1 7 . 1 1 100 100 ILE N N 100 119.936 119.936 115.541 4.395 18817 3771 1 7 . 1 1 100 100 ILE C C 100 177.443 177.443 178.094 -0.651 18817 3772 1 7 . 1 1 100 100 ILE CA C 100 63.808 63.808 63.633 0.175 18817 3773 1 7 . 1 1 100 100 ILE CB C 100 36.622 36.622 37.693 -1.071 18817 3774 1 7 . 1 1 100 100 ILE H H 100 7.992 7.992 7.278 0.714 18817 3775 1 7 . 1 1 101 101 LEU N N 101 120.350 120.350 122.227 -1.877 18817 3776 1 7 . 1 1 101 101 LEU C C 101 178.913 178.913 178.512 0.401 18817 3777 1 7 . 1 1 101 101 LEU CA C 101 56.911 56.911 58.166 -1.255 18817 3778 1 7 . 1 1 101 101 LEU CB C 101 40.296 40.296 41.590 -1.294 18817 3779 1 7 . 1 1 101 101 LEU H H 101 7.861 7.861 8.781 -0.920 18817 3780 1 7 . 1 1 102 102 ASN N N 102 117.859 117.859 117.918 -0.059 18817 3781 1 7 . 1 1 102 102 ASN C C 102 177.647 177.647 177.606 0.041 18817 3782 1 7 . 1 1 102 102 ASN CA C 102 54.937 54.937 56.329 -1.392 18817 3783 1 7 . 1 1 102 102 ASN CB C 102 37.917 37.917 38.167 -0.251 18817 3784 1 7 . 1 1 102 102 ASN H H 102 7.767 7.767 8.034 -0.267 18817 3785 1 7 . 1 1 103 103 LEU N N 103 122.625 122.625 119.880 2.745 18817 3786 1 7 . 1 1 103 103 LEU C C 103 178.656 178.656 178.967 -0.311 18817 3787 1 7 . 1 1 103 103 LEU CA C 103 57.339 57.339 58.032 -0.693 18817 3788 1 7 . 1 1 103 103 LEU CB C 103 40.726 40.726 42.125 -1.399 18817 3789 1 7 . 1 1 103 103 LEU H H 103 8.021 8.021 7.627 0.394 18817 3790 1 7 . 1 1 104 104 GLU N N 104 118.900 118.900 118.037 0.863 18817 3791 1 7 . 1 1 104 104 GLU C C 104 178.825 178.825 179.024 -0.199 18817 3792 1 7 . 1 1 104 104 GLU CA C 104 58.665 58.665 59.415 -0.750 18817 3793 1 7 . 1 1 104 104 GLU CB C 104 27.791 27.791 29.239 -1.448 18817 3794 1 7 . 1 1 104 104 GLU H H 104 8.267 8.267 7.612 0.655 18817 3795 1 7 . 1 1 105 105 GLU N N 105 119.025 119.025 119.961 -0.936 18817 3796 1 7 . 1 1 105 105 GLU C C 105 178.532 178.532 178.969 -0.437 18817 3797 1 7 . 1 1 105 105 GLU CA C 105 57.823 57.823 59.377 -1.554 18817 3798 1 7 . 1 1 105 105 GLU CB C 105 28.159 28.159 29.598 -1.439 18817 3799 1 7 . 1 1 105 105 GLU H H 105 8.079 8.079 8.784 -0.706 18817 3800 1 7 . 1 1 106 106 SER N N 106 116.209 116.209 114.102 2.107 18817 3801 1 7 . 1 1 106 106 SER C C 106 175.406 175.406 176.608 -1.202 18817 3802 1 7 . 1 1 106 106 SER CA C 106 60.134 60.134 62.122 -1.988 18817 3803 1 7 . 1 1 106 106 SER CB C 106 62.748 62.748 62.654 0.094 18817 3804 1 7 . 1 1 106 106 SER H H 106 7.942 7.942 7.655 0.287 18817 3805 1 7 . 1 1 107 107 LYS N N 107 121.873 121.873 122.075 -0.202 18817 3806 1 7 . 1 1 107 107 LYS C C 107 177.217 177.217 178.549 -1.332 18817 3807 1 7 . 1 1 107 107 LYS CA C 107 59.017 59.017 58.766 0.251 18817 3808 1 7 . 1 1 107 107 LYS CB C 107 31.428 31.428 32.386 -0.958 18817 3809 1 7 . 1 1 107 107 LYS H H 107 7.917 7.917 7.350 0.567 18817 3810 1 7 . 1 1 108 108 ALA N N 108 121.920 121.920 121.644 0.276 18817 3811 1 7 . 1 1 108 108 ALA C C 108 179.577 179.577 179.361 0.216 18817 3812 1 7 . 1 1 108 108 ALA CA C 108 54.338 54.338 55.044 -0.706 18817 3813 1 7 . 1 1 108 108 ALA CB C 108 17.570 17.570 18.273 -0.702 18817 3814 1 7 . 1 1 108 108 ALA H H 108 7.956 7.956 7.822 0.134 18817 3815 1 7 . 1 1 109 109 THR N N 109 114.512 114.512 115.283 -0.771 18817 3816 1 7 . 1 1 109 109 THR C C 109 176.373 176.373 176.370 0.003 18817 3817 1 7 . 1 1 109 109 THR CA C 109 64.381 64.381 66.974 -2.593 18817 3818 1 7 . 1 1 109 109 THR CB C 109 68.652 68.652 68.788 -0.136 18817 3819 1 7 . 1 1 109 109 THR H H 109 7.844 7.844 7.907 -0.063 18817 3820 1 7 . 1 1 110 110 ILE N N 110 122.486 122.486 117.700 4.786 18817 3821 1 7 . 1 1 110 110 ILE C C 110 177.059 177.059 177.501 -0.442 18817 3822 1 7 . 1 1 110 110 ILE CA C 110 64.071 64.071 63.822 0.249 18817 3823 1 7 . 1 1 110 110 ILE CB C 110 36.915 36.915 37.682 -0.767 18817 3824 1 7 . 1 1 110 110 ILE H H 110 8.000 8.000 7.350 0.650 18817 3825 1 7 . 1 1 111 111 HIS N N 111 118.524 118.524 119.618 -1.094 18817 3826 1 7 . 1 1 111 111 HIS C C 111 176.567 176.567 177.055 -0.488 18817 3827 1 7 . 1 1 111 111 HIS CA C 111 58.118 58.118 59.691 -1.573 18817 3828 1 7 . 1 1 111 111 HIS CB C 111 28.153 28.153 30.310 -2.157 18817 3829 1 7 . 1 1 111 111 HIS H H 111 8.324 8.324 8.018 0.306 18817 3830 1 7 . 1 1 112 112 GLU N N 112 118.814 118.814 118.983 -0.169 18817 3831 1 7 . 1 1 112 112 GLU C C 112 177.683 177.683 178.836 -1.153 18817 3832 1 7 . 1 1 112 112 GLU CA C 112 57.625 57.625 59.423 -1.798 18817 3833 1 7 . 1 1 112 112 GLU CB C 112 28.429 28.429 29.404 -0.975 18817 3834 1 7 . 1 1 112 112 GLU H H 112 8.110 8.110 8.727 -0.617 18817 3835 1 7 . 1 1 113 113 ASN N N 113 117.915 117.915 116.994 0.921 18817 3836 1 7 . 1 1 113 113 ASN C C 113 176.404 176.404 177.556 -1.152 18817 3837 1 7 . 1 1 113 113 ASN CA C 113 54.713 54.713 55.948 -1.235 18817 3838 1 7 . 1 1 113 113 ASN CB C 113 38.811 38.811 38.887 -0.076 18817 3839 1 7 . 1 1 113 113 ASN H H 113 7.982 7.982 7.533 0.449 18817 3840 1 7 . 1 1 114 114 ILE N N 114 119.971 119.971 115.319 4.652 18817 3841 1 7 . 1 1 114 114 ILE C C 114 177.039 177.039 178.217 -1.178 18817 3842 1 7 . 1 1 114 114 ILE CA C 114 63.324 63.324 63.000 0.324 18817 3843 1 7 . 1 1 114 114 ILE CB C 114 37.055 37.055 37.592 -0.537 18817 3844 1 7 . 1 1 114 114 ILE H H 114 8.041 8.041 7.203 0.838 18817 3845 1 7 . 1 1 115 115 GLY N N 115 108.864 108.864 108.525 0.339 18817 3846 1 7 . 1 1 115 115 GLY C C 115 175.204 175.204 174.626 0.578 18817 3847 1 7 . 1 1 115 115 GLY CA C 115 45.868 45.868 46.183 -0.315 18817 3848 1 7 . 1 1 115 115 GLY H H 115 7.977 7.977 8.639 -0.662 18817 3849 1 7 . 1 1 116 116 ALA N N 116 123.570 123.570 123.084 0.486 18817 3850 1 7 . 1 1 116 116 ALA HA H 116 4.254 4.254 4.274 -0.020 18817 3851 1 7 . 1 1 116 116 ALA C C 116 178.382 178.382 177.604 0.778 18817 3852 1 7 . 1 1 116 116 ALA CA C 116 52.974 52.974 52.975 -0.001 18817 3853 1 7 . 1 1 116 116 ALA CB C 116 18.106 18.106 18.908 -0.802 18817 3854 1 7 . 1 1 116 116 ALA H H 116 7.818 7.818 7.372 0.446 18817 3855 1 7 . 1 1 117 117 ALA N N 117 120.751 120.751 121.936 -1.185 18817 3856 1 7 . 1 1 117 117 ALA C C 117 178.099 178.099 177.037 1.062 18817 3857 1 7 . 1 1 117 117 ALA CA C 117 52.818 52.818 50.369 2.449 18817 3858 1 7 . 1 1 117 117 ALA CB C 117 18.130 18.130 17.839 0.291 18817 3859 1 7 . 1 1 117 117 ALA H H 117 7.766 7.766 7.138 0.628 18817 3860 1 7 . 1 1 118 118 GLY N N 118 105.627 105.627 108.772 -3.145 18817 3861 1 7 . 1 1 118 118 GLY C C 118 174.144 174.144 173.253 0.891 18817 3862 1 7 . 1 1 118 118 GLY CA C 118 45.505 45.505 44.609 0.895 18817 3863 1 7 . 1 1 118 118 GLY H H 118 7.885 7.885 7.132 0.753 18817 3864 1 7 . 1 1 119 119 PHE N N 119 119.825 119.825 118.892 0.933 18817 3865 1 7 . 1 1 119 119 PHE HA H 119 4.542 4.542 4.848 -0.306 18817 3866 1 7 . 1 1 119 119 PHE C C 119 175.543 175.543 174.996 0.547 18817 3867 1 7 . 1 1 119 119 PHE CA C 119 57.858 57.858 56.856 1.002 18817 3868 1 7 . 1 1 119 119 PHE CB C 119 38.866 38.866 38.936 -0.070 18817 3869 1 7 . 1 1 119 119 PHE H H 119 7.730 7.730 7.137 0.593 18817 3870 1 7 . 1 1 120 120 LYS N N 120 122.164 122.164 122.276 -0.112 18817 3871 1 7 . 1 1 120 120 LYS C C 120 175.748 175.748 175.043 0.705 18817 3872 1 7 . 1 1 120 120 LYS CA C 120 55.644 55.644 55.483 0.161 18817 3873 1 7 . 1 1 120 120 LYS CB C 120 32.442 32.442 34.643 -2.201 18817 3874 1 7 . 1 1 120 120 LYS H H 120 7.897 7.897 8.033 -0.136 18817 3875 1 7 . 1 1 121 121 MET N N 121 119.305 119.305 120.948 -1.643 18817 3876 1 7 . 1 1 121 121 MET HA H 121 4.481 4.481 4.761 -0.280 18817 3877 1 7 . 1 1 121 121 MET C C 121 175.641 175.641 176.254 -0.613 18817 3878 1 7 . 1 1 121 121 MET CA C 121 54.851 54.851 54.974 -0.123 18817 3879 1 7 . 1 1 121 121 MET CB C 121 32.855 32.855 33.828 -0.973 18817 3880 1 7 . 1 1 121 121 MET H H 121 7.937 7.937 8.340 -0.403 18817 3881 1 7 . 1 1 122 122 SER N N 122 117.184 117.184 117.651 -0.467 18817 3882 1 7 . 1 1 122 122 SER C C 122 173.619 173.619 173.163 0.456 18817 3883 1 7 . 1 1 122 122 SER CA C 122 57.625 57.625 57.231 0.394 18817 3884 1 7 . 1 1 122 122 SER CB C 122 62.847 62.847 63.608 -0.761 18817 3885 1 7 . 1 1 122 122 SER H H 122 8.052 8.052 8.386 -0.334 18817 3886 1 8 . 1 1 2 2 SER C C 2 172.027 172.027 175.205 -3.178 18817 3887 1 8 . 1 1 2 2 SER CA C 2 56.474 56.474 57.707 -1.233 18817 3888 1 8 . 1 1 2 2 SER CB C 2 63.484 63.484 63.131 0.353 18817 3889 1 8 . 1 1 3 3 THR N N 3 119.004 119.004 121.911 -2.907 18817 3890 1 8 . 1 1 3 3 THR C C 3 175.867 175.867 175.419 0.448 18817 3891 1 8 . 1 1 3 3 THR CA C 3 65.068 65.068 64.200 0.868 18817 3892 1 8 . 1 1 3 3 THR CB C 3 68.441 68.441 68.930 -0.489 18817 3893 1 8 . 1 1 3 3 THR H H 3 8.964 8.964 8.568 0.396 18817 3894 1 8 . 1 1 4 4 LEU N N 4 121.518 121.518 120.702 0.816 18817 3895 1 8 . 1 1 4 4 LEU C C 4 178.886 178.886 178.457 0.429 18817 3896 1 8 . 1 1 4 4 LEU CA C 4 57.246 57.246 57.969 -0.723 18817 3897 1 8 . 1 1 4 4 LEU CB C 4 40.645 40.645 41.603 -0.958 18817 3898 1 8 . 1 1 4 4 LEU H H 4 8.487 8.487 8.158 0.329 18817 3899 1 8 . 1 1 5 5 SER N N 5 117.162 117.162 114.597 2.565 18817 3900 1 8 . 1 1 5 5 SER C C 5 176.676 176.676 176.793 -0.117 18817 3901 1 8 . 1 1 5 5 SER CA C 5 60.827 60.827 61.624 -0.797 18817 3902 1 8 . 1 1 5 5 SER CB C 5 61.776 61.776 62.281 -0.504 18817 3903 1 8 . 1 1 5 5 SER H H 5 8.289 8.289 8.102 0.187 18817 3904 1 8 . 1 1 6 6 ASN N N 6 122.387 122.387 120.888 1.499 18817 3905 1 8 . 1 1 6 6 ASN HA H 6 4.230 4.230 4.605 -0.375 18817 3906 1 8 . 1 1 6 6 ASN C C 6 177.833 177.833 177.396 0.437 18817 3907 1 8 . 1 1 6 6 ASN CA C 6 55.400 55.400 55.431 -0.031 18817 3908 1 8 . 1 1 6 6 ASN CB C 6 37.348 37.348 38.282 -0.934 18817 3909 1 8 . 1 1 6 6 ASN H H 6 8.160 8.160 7.684 0.476 18817 3910 1 8 . 1 1 7 7 PHE N N 7 121.724 121.724 122.185 -0.461 18817 3911 1 8 . 1 1 7 7 PHE C C 7 177.171 177.171 176.755 0.416 18817 3912 1 8 . 1 1 7 7 PHE CA C 7 60.731 60.731 61.586 -0.855 18817 3913 1 8 . 1 1 7 7 PHE CB C 7 38.693 38.693 38.790 -0.097 18817 3914 1 8 . 1 1 7 7 PHE H H 7 8.254 8.254 7.995 0.259 18817 3915 1 8 . 1 1 8 8 THR N N 8 113.736 113.736 116.391 -2.655 18817 3916 1 8 . 1 1 8 8 THR HA H 8 4.278 4.278 3.327 0.951 18817 3917 1 8 . 1 1 8 8 THR C C 8 176.016 176.016 176.357 -0.341 18817 3918 1 8 . 1 1 8 8 THR CA C 8 66.400 66.400 67.432 -1.032 18817 3919 1 8 . 1 1 8 8 THR CB C 8 67.084 67.084 68.293 -1.208 18817 3920 1 8 . 1 1 8 8 THR H H 8 8.399 8.399 8.167 0.232 18817 3921 1 8 . 1 1 9 9 GLN N N 9 121.349 121.349 120.214 1.135 18817 3922 1 8 . 1 1 9 9 GLN C C 9 178.464 178.464 178.062 0.402 18817 3923 1 8 . 1 1 9 9 GLN CA C 9 58.448 58.448 58.959 -0.511 18817 3924 1 8 . 1 1 9 9 GLN CB C 9 27.564 27.564 28.561 -0.997 18817 3925 1 8 . 1 1 9 9 GLN H H 9 7.942 7.942 7.459 0.483 18817 3926 1 8 . 1 1 10 10 THR N N 10 117.451 117.451 117.839 -0.388 18817 3927 1 8 . 1 1 10 10 THR HA H 10 4.278 4.278 3.957 0.321 18817 3928 1 8 . 1 1 10 10 THR C C 10 176.380 176.380 176.478 -0.098 18817 3929 1 8 . 1 1 10 10 THR CA C 10 66.353 66.353 66.555 -0.202 18817 3930 1 8 . 1 1 10 10 THR CB C 10 67.910 67.910 68.489 -0.579 18817 3931 1 8 . 1 1 10 10 THR H H 10 7.767 7.767 7.872 -0.105 18817 3932 1 8 . 1 1 11 11 LEU N N 11 121.448 121.448 121.920 -0.472 18817 3933 1 8 . 1 1 11 11 LEU C C 11 178.255 178.255 177.764 0.491 18817 3934 1 8 . 1 1 11 11 LEU CA C 11 57.614 57.614 58.473 -0.859 18817 3935 1 8 . 1 1 11 11 LEU CB C 11 40.574 40.574 41.574 -1.000 18817 3936 1 8 . 1 1 11 11 LEU H H 11 7.958 7.958 8.363 -0.405 18817 3937 1 8 . 1 1 12 12 GLU N N 12 117.911 117.911 118.643 -0.732 18817 3938 1 8 . 1 1 12 12 GLU C C 12 177.809 177.809 178.891 -1.082 18817 3939 1 8 . 1 1 12 12 GLU CA C 12 59.675 59.675 59.796 -0.121 18817 3940 1 8 . 1 1 12 12 GLU CB C 12 27.358 27.358 29.040 -1.682 18817 3941 1 8 . 1 1 12 12 GLU H H 12 8.206 8.206 7.786 0.420 18817 3942 1 8 . 1 1 13 13 ASP C C 13 178.880 178.880 178.798 0.082 18817 3943 1 8 . 1 1 13 13 ASP CA C 13 58.468 58.468 57.117 1.351 18817 3944 1 8 . 1 1 13 13 ASP CB C 13 40.613 40.613 40.948 -0.335 18817 3945 1 8 . 1 1 14 14 VAL N N 14 118.703 118.703 120.591 -1.888 18817 3946 1 8 . 1 1 14 14 VAL C C 14 177.885 177.885 177.712 0.173 18817 3947 1 8 . 1 1 14 14 VAL CA C 14 66.212 66.212 66.178 0.034 18817 3948 1 8 . 1 1 14 14 VAL CB C 14 30.614 30.614 32.020 -1.406 18817 3949 1 8 . 1 1 14 14 VAL H H 14 8.943 8.943 7.794 1.149 18817 3950 1 8 . 1 1 15 15 PHE N N 15 118.897 118.897 120.322 -1.425 18817 3951 1 8 . 1 1 15 15 PHE C C 15 177.542 177.542 177.261 0.281 18817 3952 1 8 . 1 1 15 15 PHE CA C 15 61.165 61.165 61.790 -0.625 18817 3953 1 8 . 1 1 15 15 PHE CB C 15 37.723 37.723 39.252 -1.530 18817 3954 1 8 . 1 1 15 15 PHE H H 15 8.379 8.379 9.190 -0.811 18817 3955 1 8 . 1 1 16 16 ARG N N 16 119.285 119.285 118.581 0.704 18817 3956 1 8 . 1 1 16 16 ARG C C 16 177.852 177.852 178.728 -0.876 18817 3957 1 8 . 1 1 16 16 ARG CA C 16 59.972 59.972 59.512 0.460 18817 3958 1 8 . 1 1 16 16 ARG CB C 16 29.491 29.491 29.780 -0.289 18817 3959 1 8 . 1 1 16 16 ARG H H 16 8.455 8.455 8.138 0.317 18817 3960 1 8 . 1 1 17 17 ARG N N 17 117.721 117.721 119.921 -2.200 18817 3961 1 8 . 1 1 17 17 ARG C C 17 179.606 179.606 178.676 0.930 18817 3962 1 8 . 1 1 17 17 ARG CA C 17 58.965 58.965 59.174 -0.209 18817 3963 1 8 . 1 1 17 17 ARG CB C 17 29.220 29.220 30.139 -0.919 18817 3964 1 8 . 1 1 17 17 ARG H H 17 7.816 7.816 7.527 0.289 18817 3965 1 8 . 1 1 18 18 ILE N N 18 121.097 121.097 121.305 -0.208 18817 3966 1 8 . 1 1 18 18 ILE C C 18 177.115 177.115 177.651 -0.536 18817 3967 1 8 . 1 1 18 18 ILE CA C 18 64.570 64.570 65.038 -0.468 18817 3968 1 8 . 1 1 18 18 ILE CB C 18 37.150 37.150 37.796 -0.646 18817 3969 1 8 . 1 1 18 18 ILE H H 18 8.180 8.180 8.516 -0.336 18817 3970 1 8 . 1 1 19 19 PHE N N 19 120.545 120.545 120.836 -0.291 18817 3971 1 8 . 1 1 19 19 PHE C C 19 177.154 177.154 177.079 0.075 18817 3972 1 8 . 1 1 19 19 PHE CA C 19 61.665 61.665 62.628 -0.963 18817 3973 1 8 . 1 1 19 19 PHE CB C 19 38.609 38.609 39.515 -0.906 18817 3974 1 8 . 1 1 19 19 PHE H H 19 8.407 8.407 7.781 0.626 18817 3975 1 8 . 1 1 20 20 ILE N N 20 118.206 118.206 119.194 -0.988 18817 3976 1 8 . 1 1 20 20 ILE C C 20 177.915 177.915 178.056 -0.141 18817 3977 1 8 . 1 1 20 20 ILE CA C 20 63.965 63.965 65.117 -1.152 18817 3978 1 8 . 1 1 20 20 ILE CB C 20 36.828 36.828 37.779 -0.951 18817 3979 1 8 . 1 1 20 20 ILE H H 20 8.350 8.350 7.772 0.578 18817 3980 1 8 . 1 1 21 21 THR N N 21 116.423 116.423 116.243 0.180 18817 3981 1 8 . 1 1 21 21 THR C C 21 176.419 176.419 176.033 0.386 18817 3982 1 8 . 1 1 21 21 THR CA C 21 66.069 66.069 65.866 0.203 18817 3983 1 8 . 1 1 21 21 THR CB C 21 68.168 68.168 68.434 -0.266 18817 3984 1 8 . 1 1 21 21 THR H H 21 7.692 7.692 8.757 -1.065 18817 3985 1 8 . 1 1 22 22 TYR N N 22 121.108 121.108 124.676 -3.568 18817 3986 1 8 . 1 1 22 22 TYR C C 22 177.398 177.398 177.563 -0.165 18817 3987 1 8 . 1 1 22 22 TYR CA C 22 60.953 60.953 61.123 -0.170 18817 3988 1 8 . 1 1 22 22 TYR CB C 22 37.643 37.643 37.900 -0.257 18817 3989 1 8 . 1 1 22 22 TYR H H 22 8.028 8.028 8.568 -0.540 18817 3990 1 8 . 1 1 23 23 MET N N 23 118.337 118.337 116.877 1.460 18817 3991 1 8 . 1 1 23 23 MET C C 23 178.156 178.156 177.949 0.207 18817 3992 1 8 . 1 1 23 23 MET CA C 23 57.078 57.078 58.354 -1.276 18817 3993 1 8 . 1 1 23 23 MET CB C 23 30.583 30.583 32.008 -1.425 18817 3994 1 8 . 1 1 23 23 MET H H 23 8.135 8.135 8.154 -0.019 18817 3995 1 8 . 1 1 24 24 ASP N N 24 118.883 118.883 119.682 -0.799 18817 3996 1 8 . 1 1 24 24 ASP C C 24 177.682 177.682 178.046 -0.364 18817 3997 1 8 . 1 1 24 24 ASP CA C 24 56.222 56.222 57.513 -1.291 18817 3998 1 8 . 1 1 24 24 ASP CB C 24 39.820 39.820 40.987 -1.167 18817 3999 1 8 . 1 1 24 24 ASP H H 24 8.208 8.208 7.656 0.552 18817 4000 1 8 . 1 1 25 25 ASN N N 25 116.989 116.989 118.863 -1.874 18817 4001 1 8 . 1 1 25 25 ASN C C 25 176.452 176.452 177.237 -0.785 18817 4002 1 8 . 1 1 25 25 ASN CA C 25 54.859 54.859 55.739 -0.880 18817 4003 1 8 . 1 1 25 25 ASN CB C 25 38.679 38.679 38.230 0.449 18817 4004 1 8 . 1 1 25 25 ASN H H 25 7.746 7.746 8.390 -0.644 18817 4005 1 8 . 1 1 26 26 TRP N N 26 120.811 120.811 123.343 -2.532 18817 4006 1 8 . 1 1 26 26 TRP C C 26 177.694 177.694 177.864 -0.170 18817 4007 1 8 . 1 1 26 26 TRP CA C 26 58.922 58.922 61.028 -2.106 18817 4008 1 8 . 1 1 26 26 TRP CB C 26 28.772 28.772 28.989 -0.217 18817 4009 1 8 . 1 1 26 26 TRP H H 26 7.951 7.951 7.870 0.081 18817 4010 1 8 . 1 1 27 27 ARG N N 27 119.926 119.926 118.489 1.437 18817 4011 1 8 . 1 1 27 27 ARG C C 27 177.355 177.355 179.097 -1.742 18817 4012 1 8 . 1 1 27 27 ARG CA C 27 57.844 57.844 58.570 -0.726 18817 4013 1 8 . 1 1 27 27 ARG CB C 27 29.249 29.249 29.889 -0.640 18817 4014 1 8 . 1 1 27 27 ARG H H 27 7.971 7.971 7.461 0.510 18817 4015 1 8 . 1 1 28 28 GLN N N 28 118.022 118.022 117.774 0.248 18817 4016 1 8 . 1 1 28 28 GLN C C 28 176.547 176.547 178.104 -1.557 18817 4017 1 8 . 1 1 28 28 GLN CA C 28 56.751 56.751 58.051 -1.300 18817 4018 1 8 . 1 1 28 28 GLN CB C 28 28.167 28.167 28.650 -0.483 18817 4019 1 8 . 1 1 28 28 GLN H H 28 7.868 7.868 7.695 0.173 18817 4020 1 8 . 1 1 29 29 ASN N N 29 118.257 118.257 119.531 -1.274 18817 4021 1 8 . 1 1 29 29 ASN C C 29 175.576 175.576 177.028 -1.452 18817 4022 1 8 . 1 1 29 29 ASN CA C 29 53.311 53.311 56.521 -3.210 18817 4023 1 8 . 1 1 29 29 ASN CB C 29 38.530 38.530 38.135 0.395 18817 4024 1 8 . 1 1 29 29 ASN H H 29 7.915 7.915 8.292 -0.377 18817 4025 1 8 . 1 1 30 30 THR N N 30 113.464 113.464 112.501 0.963 18817 4026 1 8 . 1 1 30 30 THR HA H 30 4.348 4.348 3.861 0.487 18817 4027 1 8 . 1 1 30 30 THR C C 30 175.453 175.453 176.295 -0.842 18817 4028 1 8 . 1 1 30 30 THR CA C 30 62.528 62.528 66.090 -3.562 18817 4029 1 8 . 1 1 30 30 THR CB C 30 69.103 69.103 68.201 0.902 18817 4030 1 8 . 1 1 30 30 THR H H 30 7.840 7.840 7.384 0.456 18817 4031 1 8 . 1 1 31 31 THR N N 31 116.868 116.868 115.554 1.314 18817 4032 1 8 . 1 1 31 31 THR C C 31 175.450 175.450 176.169 -0.719 18817 4033 1 8 . 1 1 31 31 THR CA C 31 63.705 63.705 65.790 -2.085 18817 4034 1 8 . 1 1 31 31 THR CB C 31 69.132 69.132 68.103 1.029 18817 4035 1 8 . 1 1 31 31 THR H H 31 7.955 7.955 7.554 0.401 18817 4036 1 8 . 1 1 32 32 ALA N N 32 124.803 124.803 123.842 0.961 18817 4037 1 8 . 1 1 32 32 ALA C C 32 179.686 179.686 179.677 0.009 18817 4038 1 8 . 1 1 32 32 ALA CA C 32 53.748 53.748 54.803 -1.055 18817 4039 1 8 . 1 1 32 32 ALA CB C 32 17.669 17.669 18.055 -0.386 18817 4040 1 8 . 1 1 32 32 ALA H H 32 8.226 8.226 7.876 0.350 18817 4041 1 8 . 1 1 33 33 GLU N N 33 118.847 118.847 118.423 0.424 18817 4042 1 8 . 1 1 33 33 GLU C C 33 177.525 177.525 179.150 -1.625 18817 4043 1 8 . 1 1 33 33 GLU CA C 33 58.026 58.026 59.124 -1.098 18817 4044 1 8 . 1 1 33 33 GLU CB C 33 27.793 27.793 29.173 -1.380 18817 4045 1 8 . 1 1 33 33 GLU H H 33 8.153 8.153 7.932 0.221 18817 4046 1 8 . 1 1 34 34 GLN N N 34 119.840 119.840 119.531 0.309 18817 4047 1 8 . 1 1 34 34 GLN C C 34 177.628 177.628 178.237 -0.609 18817 4048 1 8 . 1 1 34 34 GLN CA C 34 57.976 57.976 58.495 -0.519 18817 4049 1 8 . 1 1 34 34 GLN CB C 34 27.786 27.786 28.670 -0.884 18817 4050 1 8 . 1 1 34 34 GLN H H 34 8.109 8.109 7.706 0.403 18817 4051 1 8 . 1 1 35 35 GLU N N 35 119.894 119.894 119.973 -0.079 18817 4052 1 8 . 1 1 35 35 GLU C C 35 178.149 178.149 178.521 -0.372 18817 4053 1 8 . 1 1 35 35 GLU CA C 35 58.160 58.160 58.892 -0.732 18817 4054 1 8 . 1 1 35 35 GLU CB C 35 28.337 28.337 29.704 -1.367 18817 4055 1 8 . 1 1 35 35 GLU H H 35 8.170 8.170 8.759 -0.589 18817 4056 1 8 . 1 1 36 36 ALA N N 36 123.045 123.045 122.383 0.662 18817 4057 1 8 . 1 1 36 36 ALA C C 36 179.303 179.303 179.957 -0.654 18817 4058 1 8 . 1 1 36 36 ALA CA C 36 53.615 53.615 55.158 -1.543 18817 4059 1 8 . 1 1 36 36 ALA CB C 36 17.788 17.788 18.120 -0.332 18817 4060 1 8 . 1 1 36 36 ALA H H 36 7.884 7.884 8.119 -0.235 18817 4061 1 8 . 1 1 37 37 LEU N N 37 119.469 119.469 118.324 1.145 18817 4062 1 8 . 1 1 37 37 LEU C C 37 178.226 178.226 179.194 -0.968 18817 4063 1 8 . 1 1 37 37 LEU CA C 37 56.671 56.671 57.815 -1.144 18817 4064 1 8 . 1 1 37 37 LEU CB C 37 40.965 40.965 41.632 -0.667 18817 4065 1 8 . 1 1 37 37 LEU H H 37 7.907 7.907 7.509 0.398 18817 4066 1 8 . 1 1 38 38 GLN N N 38 118.655 118.655 118.616 0.039 18817 4067 1 8 . 1 1 38 38 GLN C C 38 176.775 176.775 178.443 -1.668 18817 4068 1 8 . 1 1 38 38 GLN CA C 38 57.420 57.420 59.026 -1.606 18817 4069 1 8 . 1 1 38 38 GLN CB C 38 28.042 28.042 28.529 -0.487 18817 4070 1 8 . 1 1 38 38 GLN H H 38 8.097 8.097 7.794 0.303 18817 4071 1 8 . 1 1 39 39 ALA N N 39 121.284 121.284 120.840 0.444 18817 4072 1 8 . 1 1 39 39 ALA C C 39 178.516 178.516 179.294 -0.778 18817 4073 1 8 . 1 1 39 39 ALA CA C 39 53.221 53.221 54.996 -1.775 18817 4074 1 8 . 1 1 39 39 ALA CB C 39 18.032 18.032 18.469 -0.437 18817 4075 1 8 . 1 1 39 39 ALA H H 39 7.724 7.724 8.586 -0.862 18817 4076 1 8 . 1 1 40 40 LYS N N 40 118.343 118.343 118.430 -0.087 18817 4077 1 8 . 1 1 40 40 LYS C C 40 176.835 176.835 178.650 -1.815 18817 4078 1 8 . 1 1 40 40 LYS CA C 40 56.436 56.436 58.242 -1.806 18817 4079 1 8 . 1 1 40 40 LYS CB C 40 32.005 32.005 32.735 -0.730 18817 4080 1 8 . 1 1 40 40 LYS H H 40 7.702 7.702 7.391 0.311 18817 4081 1 8 . 1 1 41 41 VAL N N 41 118.825 118.825 118.286 0.539 18817 4082 1 8 . 1 1 41 41 VAL C C 41 175.383 175.383 175.939 -0.556 18817 4083 1 8 . 1 1 41 41 VAL CA C 41 62.305 62.305 64.642 -2.337 18817 4084 1 8 . 1 1 41 41 VAL CB C 41 31.695 31.695 31.799 -0.104 18817 4085 1 8 . 1 1 41 41 VAL H H 41 7.723 7.723 8.285 -0.562 18817 4086 1 8 . 1 1 42 42 ASP N N 42 122.980 122.980 117.585 5.395 18817 4087 1 8 . 1 1 42 42 ASP HA H 42 4.323 4.323 4.304 0.019 18817 4088 1 8 . 1 1 42 42 ASP C C 42 176.128 176.128 176.062 0.066 18817 4089 1 8 . 1 1 42 42 ASP CA C 42 53.641 53.641 54.904 -1.263 18817 4090 1 8 . 1 1 42 42 ASP CB C 42 40.281 40.281 39.783 0.498 18817 4091 1 8 . 1 1 42 42 ASP H H 42 8.229 8.229 7.694 0.535 18817 4092 1 8 . 1 1 43 43 ALA N N 43 123.146 123.146 122.720 0.426 18817 4093 1 8 . 1 1 43 43 ALA C C 43 178.308 178.308 178.488 -0.180 18817 4094 1 8 . 1 1 43 43 ALA CA C 43 53.366 53.366 53.655 -0.289 18817 4095 1 8 . 1 1 43 43 ALA CB C 43 18.215 18.215 18.945 -0.730 18817 4096 1 8 . 1 1 43 43 ALA H H 43 8.095 8.095 8.102 -0.007 18817 4097 1 8 . 1 1 44 44 GLU N N 44 117.625 117.625 120.303 -2.678 18817 4098 1 8 . 1 1 44 44 GLU C C 44 176.974 176.974 176.946 0.028 18817 4099 1 8 . 1 1 44 44 GLU CA C 44 57.011 57.011 57.294 -0.283 18817 4100 1 8 . 1 1 44 44 GLU CB C 44 28.434 28.434 30.096 -1.661 18817 4101 1 8 . 1 1 44 44 GLU H H 44 8.173 8.173 8.200 -0.027 18817 4102 1 8 . 1 1 45 45 ASN N N 45 117.214 117.214 119.009 -1.795 18817 4103 1 8 . 1 1 45 45 ASN C C 45 176.652 176.652 175.914 0.738 18817 4104 1 8 . 1 1 45 45 ASN CA C 45 53.544 53.544 53.842 -0.298 18817 4105 1 8 . 1 1 45 45 ASN CB C 45 38.334 38.334 37.934 0.399 18817 4106 1 8 . 1 1 45 45 ASN H H 45 8.059 8.059 8.037 0.022 18817 4107 1 8 . 1 1 46 46 PHE N N 46 120.987 120.987 119.413 1.574 18817 4108 1 8 . 1 1 46 46 PHE C C 46 176.975 176.975 177.171 -0.196 18817 4109 1 8 . 1 1 46 46 PHE CA C 46 60.113 60.113 59.237 0.876 18817 4110 1 8 . 1 1 46 46 PHE CB C 46 38.290 38.290 38.283 0.007 18817 4111 1 8 . 1 1 46 46 PHE H H 46 8.163 8.163 8.117 0.046 18817 4112 1 8 . 1 1 47 47 TYR N N 47 116.519 116.519 120.631 -4.112 18817 4113 1 8 . 1 1 47 47 TYR C C 47 176.063 176.063 177.263 -1.200 18817 4114 1 8 . 1 1 47 47 TYR CA C 47 60.569 60.569 61.977 -1.408 18817 4115 1 8 . 1 1 47 47 TYR CB C 47 36.886 36.886 37.882 -0.996 18817 4116 1 8 . 1 1 47 47 TYR H H 47 7.417 7.417 7.182 0.235 18817 4117 1 8 . 1 1 48 48 TYR N N 48 116.519 116.519 119.463 -2.944 18817 4118 1 8 . 1 1 48 48 TYR C C 48 177.063 177.063 177.285 -0.222 18817 4119 1 8 . 1 1 48 48 TYR CA C 48 60.569 60.569 61.912 -1.343 18817 4120 1 8 . 1 1 48 48 TYR CB C 48 36.886 36.886 38.322 -1.436 18817 4121 1 8 . 1 1 48 48 TYR H H 48 7.417 7.417 8.204 -0.787 18817 4122 1 8 . 1 1 49 49 VAL N N 49 118.292 118.292 119.429 -1.137 18817 4123 1 8 . 1 1 49 49 VAL C C 49 177.154 177.154 178.127 -0.973 18817 4124 1 8 . 1 1 49 49 VAL CA C 49 66.194 66.194 66.106 0.088 18817 4125 1 8 . 1 1 49 49 VAL CB C 49 30.389 30.389 31.387 -0.998 18817 4126 1 8 . 1 1 49 49 VAL H H 49 7.439 7.439 7.548 -0.109 18817 4127 1 8 . 1 1 50 50 ILE N N 50 117.581 117.581 119.858 -2.277 18817 4128 1 8 . 1 1 50 50 ILE C C 50 177.307 177.307 177.921 -0.614 18817 4129 1 8 . 1 1 50 50 ILE CA C 50 63.876 63.876 65.098 -1.222 18817 4130 1 8 . 1 1 50 50 ILE CB C 50 35.725 35.725 37.504 -1.779 18817 4131 1 8 . 1 1 50 50 ILE H H 50 7.491 7.491 7.566 -0.075 18817 4132 1 8 . 1 1 51 51 LEU N N 51 120.363 120.363 121.914 -1.551 18817 4133 1 8 . 1 1 51 51 LEU C C 51 178.335 178.335 178.133 0.202 18817 4134 1 8 . 1 1 51 51 LEU CA C 51 58.042 58.042 58.054 -0.012 18817 4135 1 8 . 1 1 51 51 LEU CB C 51 40.550 40.550 41.439 -0.889 18817 4136 1 8 . 1 1 51 51 LEU H H 51 7.699 7.699 8.036 -0.337 18817 4137 1 8 . 1 1 53 53 LEU C C 53 178.638 178.638 178.704 -0.066 18817 4138 1 8 . 1 1 53 53 LEU CA C 53 57.795 57.795 57.810 -0.015 18817 4139 1 8 . 1 1 53 53 LEU CB C 53 40.796 40.796 42.112 -1.316 18817 4140 1 8 . 1 1 54 54 MET N N 54 117.957 117.957 118.853 -0.896 18817 4141 1 8 . 1 1 54 54 MET C C 54 178.471 178.471 178.264 0.207 18817 4142 1 8 . 1 1 54 54 MET CA C 54 58.432 58.432 59.498 -1.065 18817 4143 1 8 . 1 1 54 54 MET CB C 54 31.395 31.395 32.596 -1.201 18817 4144 1 8 . 1 1 54 54 MET H H 54 8.396 8.396 8.703 -0.307 18817 4145 1 8 . 1 1 56 56 MET C C 56 177.895 177.895 178.324 -0.429 18817 4146 1 8 . 1 1 56 56 MET CA C 56 58.793 58.793 59.167 -0.374 18817 4147 1 8 . 1 1 57 57 ILE N N 57 119.111 119.111 118.760 0.351 18817 4148 1 8 . 1 1 57 57 ILE C C 57 179.504 179.504 177.877 1.627 18817 4149 1 8 . 1 1 57 57 ILE CA C 57 64.890 64.890 65.077 -0.187 18817 4150 1 8 . 1 1 57 57 ILE CB C 57 36.497 36.497 37.177 -0.680 18817 4151 1 8 . 1 1 57 57 ILE H H 57 8.556 8.556 8.949 -0.393 18817 4152 1 8 . 1 1 58 58 GLY N N 58 111.097 111.097 108.062 3.035 18817 4153 1 8 . 1 1 58 58 GLY C C 58 174.211 174.211 176.043 -1.832 18817 4154 1 8 . 1 1 58 58 GLY CA C 58 47.038 47.038 47.263 -0.225 18817 4155 1 8 . 1 1 58 58 GLY H H 58 8.745 8.745 7.757 0.988 18817 4156 1 8 . 1 1 59 59 MET N N 59 120.903 120.903 121.422 -0.519 18817 4157 1 8 . 1 1 59 59 MET C C 59 178.075 178.075 177.676 0.399 18817 4158 1 8 . 1 1 59 59 MET CA C 59 58.763 58.763 58.619 0.144 18817 4159 1 8 . 1 1 59 59 MET CB C 59 32.415 32.415 32.753 -0.338 18817 4160 1 8 . 1 1 59 59 MET H H 59 8.612 8.612 7.553 1.059 18817 4161 1 8 . 1 1 60 60 PHE N N 60 117.888 117.888 120.220 -2.332 18817 4162 1 8 . 1 1 60 60 PHE C C 60 177.292 177.292 177.323 -0.031 18817 4163 1 8 . 1 1 60 60 PHE CA C 60 60.486 60.486 61.769 -1.283 18817 4164 1 8 . 1 1 60 60 PHE CB C 60 38.213 38.213 39.102 -0.889 18817 4165 1 8 . 1 1 60 60 PHE H H 60 8.495 8.495 7.984 0.511 18817 4166 1 8 . 1 1 61 61 SER N N 61 115.530 115.530 114.850 0.680 18817 4167 1 8 . 1 1 61 61 SER C C 61 175.141 175.141 176.580 -1.439 18817 4168 1 8 . 1 1 61 61 SER CA C 61 63.198 63.198 61.856 1.342 18817 4169 1 8 . 1 1 61 61 SER CB C 61 62.050 62.050 62.622 -0.572 18817 4170 1 8 . 1 1 61 61 SER H H 61 8.338 8.338 8.915 -0.577 18817 4171 1 8 . 1 1 62 62 PHE N N 62 121.237 121.237 122.052 -0.815 18817 4172 1 8 . 1 1 62 62 PHE C C 62 176.761 176.761 177.141 -0.380 18817 4173 1 8 . 1 1 62 62 PHE CA C 62 60.791 60.791 61.316 -0.525 18817 4174 1 8 . 1 1 62 62 PHE CB C 62 38.124 38.124 39.019 -0.895 18817 4175 1 8 . 1 1 62 62 PHE H H 62 8.077 8.077 7.427 0.650 18817 4176 1 8 . 1 1 64 64 ILE N N 64 118.608 118.608 118.839 -0.231 18817 4177 1 8 . 1 1 64 64 ILE C C 64 177.805 177.805 178.046 -0.241 18817 4178 1 8 . 1 1 64 64 ILE CA C 64 64.465 64.465 65.633 -1.168 18817 4179 1 8 . 1 1 64 64 ILE CB C 64 35.984 35.984 37.538 -1.554 18817 4180 1 8 . 1 1 64 64 ILE H H 64 7.956 7.956 7.436 0.520 18817 4181 1 8 . 1 1 65 65 VAL N N 65 119.395 119.395 119.313 0.082 18817 4182 1 8 . 1 1 65 65 VAL C C 65 177.045 177.045 177.053 -0.008 18817 4183 1 8 . 1 1 65 65 VAL CA C 65 66.773 66.773 66.206 0.567 18817 4184 1 8 . 1 1 65 65 VAL CB C 65 30.099 30.099 31.390 -1.290 18817 4185 1 8 . 1 1 65 65 VAL H H 65 8.137 8.137 7.086 1.051 18817 4186 1 8 . 1 1 67 67 ILE C C 67 179.153 179.153 177.919 1.234 18817 4187 1 8 . 1 1 67 67 ILE CA C 67 64.933 64.933 64.734 0.199 18817 4188 1 8 . 1 1 67 67 ILE CB C 67 36.977 36.977 38.281 -1.304 18817 4189 1 8 . 1 1 68 68 LEU N N 68 123.998 123.998 120.432 3.566 18817 4190 1 8 . 1 1 68 68 LEU HA H 68 4.301 4.301 3.915 0.386 18817 4191 1 8 . 1 1 68 68 LEU CA C 68 58.529 58.529 58.324 0.205 18817 4192 1 8 . 1 1 68 68 LEU CB C 68 40.768 40.768 42.004 -1.236 18817 4193 1 8 . 1 1 68 68 LEU H H 68 8.540 8.540 7.488 1.052 18817 4194 1 8 . 1 1 69 69 VAL N N 69 120.584 120.584 118.873 1.711 18817 4195 1 8 . 1 1 69 69 VAL C C 69 177.859 177.859 178.241 -0.382 18817 4196 1 8 . 1 1 69 69 VAL CA C 69 65.949 65.949 66.773 -0.824 18817 4197 1 8 . 1 1 69 69 VAL CB C 69 30.847 30.847 30.922 -0.075 18817 4198 1 8 . 1 1 69 69 VAL H H 69 8.173 8.173 7.824 0.349 18817 4199 1 8 . 1 1 70 70 SER N N 70 114.121 114.121 116.586 -2.465 18817 4200 1 8 . 1 1 70 70 SER CA C 70 61.630 61.630 62.075 -0.445 18817 4201 1 8 . 1 1 70 70 SER CB C 70 62.527 62.527 62.112 0.415 18817 4202 1 8 . 1 1 70 70 SER H H 70 7.898 7.898 8.423 -0.525 18817 4203 1 8 . 1 1 71 71 THR HA H 71 4.300 4.300 4.111 0.189 18817 4204 1 8 . 1 1 71 71 THR C C 71 176.381 176.381 176.814 -0.433 18817 4205 1 8 . 1 1 71 71 THR CA C 71 65.981 65.981 65.896 0.085 18817 4206 1 8 . 1 1 71 71 THR CB C 71 68.416 68.416 68.267 0.149 18817 4207 1 8 . 1 1 72 72 VAL N N 72 121.958 121.958 121.962 -0.004 18817 4208 1 8 . 1 1 72 72 VAL C C 72 177.791 177.791 177.435 0.356 18817 4209 1 8 . 1 1 72 72 VAL CA C 72 65.532 65.532 66.603 -1.071 18817 4210 1 8 . 1 1 72 72 VAL CB C 72 30.882 30.882 31.439 -0.557 18817 4211 1 8 . 1 1 72 72 VAL H H 72 8.092 8.092 8.144 -0.052 18817 4212 1 8 . 1 1 73 73 LYS C C 73 178.310 178.310 179.323 -1.013 18817 4213 1 8 . 1 1 73 73 LYS CA C 73 58.279 58.279 59.298 -1.019 18817 4214 1 8 . 1 1 73 73 LYS CB C 73 31.350 31.350 31.913 -0.563 18817 4215 1 8 . 1 1 74 74 SER N N 74 114.589 114.589 114.724 -0.135 18817 4216 1 8 . 1 1 74 74 SER C C 74 175.895 175.895 176.205 -0.310 18817 4217 1 8 . 1 1 74 74 SER CA C 74 59.979 59.979 61.417 -1.438 18817 4218 1 8 . 1 1 74 74 SER CB C 74 62.823 62.823 63.107 -0.284 18817 4219 1 8 . 1 1 74 74 SER H H 74 7.816 7.816 8.332 -0.516 18817 4220 1 8 . 1 1 75 75 LYS N N 75 121.984 121.984 120.965 1.019 18817 4221 1 8 . 1 1 75 75 LYS C C 75 177.649 177.649 178.642 -0.993 18817 4222 1 8 . 1 1 75 75 LYS CA C 75 56.892 56.892 58.445 -1.553 18817 4223 1 8 . 1 1 75 75 LYS CB C 75 31.263 31.263 32.351 -1.088 18817 4224 1 8 . 1 1 75 75 LYS H H 75 7.964 7.964 7.452 0.512 18817 4225 1 8 . 1 1 76 76 ARG N N 76 119.656 119.656 116.903 2.753 18817 4226 1 8 . 1 1 76 76 ARG C C 76 177.010 177.010 176.549 0.461 18817 4227 1 8 . 1 1 76 76 ARG CA C 76 56.671 56.671 57.517 -0.846 18817 4228 1 8 . 1 1 76 76 ARG CB C 76 29.471 29.471 30.678 -1.207 18817 4229 1 8 . 1 1 76 76 ARG H H 76 7.909 7.909 7.520 0.389 18817 4230 1 8 . 1 1 77 77 ARG N N 77 120.815 120.815 117.734 3.081 18817 4231 1 8 . 1 1 77 77 ARG C C 77 176.633 176.633 174.203 2.430 18817 4232 1 8 . 1 1 77 77 ARG CA C 77 56.355 56.355 55.281 1.075 18817 4233 1 8 . 1 1 77 77 ARG CB C 77 29.718 29.718 30.083 -0.365 18817 4234 1 8 . 1 1 77 77 ARG H H 77 7.860 7.860 7.289 0.571 18817 4235 1 8 . 1 1 78 78 GLU N N 78 120.635 120.635 122.589 -1.954 18817 4236 1 8 . 1 1 78 78 GLU C C 78 176.320 176.320 175.782 0.538 18817 4237 1 8 . 1 1 78 78 GLU CA C 78 56.368 56.368 56.707 -0.339 18817 4238 1 8 . 1 1 78 78 GLU CB C 78 29.083 29.083 30.599 -1.516 18817 4239 1 8 . 1 1 78 78 GLU H H 78 8.119 8.119 8.558 -0.439 18817 4240 1 8 . 1 1 79 79 HIS N N 79 117.659 117.659 120.859 -3.200 18817 4241 1 8 . 1 1 79 79 HIS C C 79 174.583 174.583 175.246 -0.663 18817 4242 1 8 . 1 1 79 79 HIS CA C 79 54.918 54.918 56.523 -1.605 18817 4243 1 8 . 1 1 79 79 HIS CB C 79 28.249 28.249 29.868 -1.619 18817 4244 1 8 . 1 1 79 79 HIS H H 79 8.042 8.042 7.526 0.516 18817 4245 1 8 . 1 1 80 80 SER N N 80 116.920 116.920 115.565 1.355 18817 4246 1 8 . 1 1 80 80 SER C C 80 174.323 174.323 173.952 0.371 18817 4247 1 8 . 1 1 80 80 SER CA C 80 58.377 58.377 57.781 0.596 18817 4248 1 8 . 1 1 80 80 SER CB C 80 63.113 63.113 64.042 -0.929 18817 4249 1 8 . 1 1 80 80 SER H H 80 8.151 8.151 7.984 0.167 18817 4250 1 8 . 1 1 81 81 ASN N N 81 120.963 120.963 117.495 3.468 18817 4251 1 8 . 1 1 81 81 ASN C C 81 174.436 174.436 174.224 0.212 18817 4252 1 8 . 1 1 81 81 ASN CA C 81 52.945 52.945 53.185 -0.240 18817 4253 1 8 . 1 1 81 81 ASN CB C 81 38.324 38.324 39.358 -1.034 18817 4254 1 8 . 1 1 81 81 ASN H H 81 8.411 8.411 8.186 0.225 18817 4255 1 8 . 1 1 83 83 PRO C C 83 176.072 176.072 175.617 0.455 18817 4256 1 8 . 1 1 83 83 PRO CA C 83 62.420 62.420 62.345 0.075 18817 4257 1 8 . 1 1 83 83 PRO CB C 83 33.212 33.212 32.090 1.122 18817 4258 1 8 . 1 1 84 84 TYR N N 84 124.146 124.146 117.343 6.803 18817 4259 1 8 . 1 1 84 84 TYR C C 84 176.670 176.670 175.665 1.005 18817 4260 1 8 . 1 1 84 84 TYR CA C 84 55.352 55.352 57.007 -1.655 18817 4261 1 8 . 1 1 84 84 TYR CB C 84 40.958 40.958 39.365 1.593 18817 4262 1 8 . 1 1 84 84 TYR H H 84 8.487 8.487 7.454 1.033 18817 4263 1 8 . 1 1 86 86 GLN C C 86 177.884 177.884 177.607 0.277 18817 4264 1 8 . 1 1 86 86 GLN CA C 86 59.593 59.593 58.620 0.973 18817 4265 1 8 . 1 1 86 86 GLN CB C 86 27.335 27.335 29.165 -1.830 18817 4266 1 8 . 1 1 87 87 TYR N N 87 119.339 119.339 118.710 0.629 18817 4267 1 8 . 1 1 87 87 TYR C C 87 178.922 178.922 177.612 1.310 18817 4268 1 8 . 1 1 87 87 TYR CA C 87 57.225 57.225 61.593 -4.368 18817 4269 1 8 . 1 1 87 87 TYR CB C 87 40.155 40.155 38.402 1.753 18817 4270 1 8 . 1 1 87 87 TYR H H 87 7.981 7.981 8.439 -0.458 18817 4271 1 8 . 1 1 88 88 ILE C C 88 175.951 175.951 178.078 -2.127 18817 4272 1 8 . 1 1 89 89 VAL N N 89 119.921 119.921 119.369 0.552 18817 4273 1 8 . 1 1 89 89 VAL C C 89 177.806 177.806 177.184 0.622 18817 4274 1 8 . 1 1 89 89 VAL CA C 89 63.289 63.289 66.874 -3.585 18817 4275 1 8 . 1 1 89 89 VAL CB C 89 31.247 31.247 32.095 -0.848 18817 4276 1 8 . 1 1 89 89 VAL H H 89 7.397 7.397 7.693 -0.296 18817 4277 1 8 . 1 1 90 90 GLU N N 90 119.266 119.266 119.768 -0.502 18817 4278 1 8 . 1 1 90 90 GLU C C 90 178.316 178.316 178.948 -0.632 18817 4279 1 8 . 1 1 90 90 GLU CA C 90 58.285 58.285 59.291 -1.006 18817 4280 1 8 . 1 1 90 90 GLU CB C 90 31.270 31.270 29.301 1.969 18817 4281 1 8 . 1 1 90 90 GLU H H 90 8.111 8.111 7.790 0.321 18817 4282 1 8 . 1 1 91 91 ASP C C 91 177.542 177.542 177.729 -0.187 18817 4283 1 8 . 1 1 91 91 ASP CA C 91 56.637 56.637 57.558 -0.921 18817 4284 1 8 . 1 1 91 91 ASP CB C 91 38.852 38.852 40.973 -2.121 18817 4285 1 8 . 1 1 92 92 TRP N N 92 120.874 120.874 121.395 -0.521 18817 4286 1 8 . 1 1 92 92 TRP C C 92 177.384 177.384 177.649 -0.265 18817 4287 1 8 . 1 1 92 92 TRP CA C 92 59.510 59.510 60.410 -0.900 18817 4288 1 8 . 1 1 92 92 TRP CB C 92 27.817 27.817 29.887 -2.070 18817 4289 1 8 . 1 1 92 92 TRP H H 92 7.852 7.852 7.382 0.470 18817 4290 1 8 . 1 1 93 93 GLN N N 93 119.478 119.478 117.807 1.671 18817 4291 1 8 . 1 1 93 93 GLN C C 93 177.653 177.653 178.166 -0.513 18817 4292 1 8 . 1 1 93 93 GLN CA C 93 58.991 58.991 58.888 0.103 18817 4293 1 8 . 1 1 93 93 GLN CB C 93 27.205 27.205 28.086 -0.881 18817 4294 1 8 . 1 1 93 93 GLN H H 93 8.010 8.010 8.323 -0.313 18817 4295 1 8 . 1 1 94 94 GLU N N 94 117.531 117.531 118.990 -1.459 18817 4296 1 8 . 1 1 94 94 GLU C C 94 178.798 178.798 178.300 0.498 18817 4297 1 8 . 1 1 94 94 GLU CA C 94 57.794 57.794 59.283 -1.489 18817 4298 1 8 . 1 1 94 94 GLU CB C 94 28.816 28.816 29.482 -0.666 18817 4299 1 8 . 1 1 94 94 GLU H H 94 7.589 7.589 7.862 -0.273 18817 4300 1 8 . 1 1 95 95 LYS N N 95 119.905 119.905 119.281 0.624 18817 4301 1 8 . 1 1 95 95 LYS C C 95 178.416 178.416 178.446 -0.030 18817 4302 1 8 . 1 1 95 95 LYS CA C 95 58.576 58.576 58.412 0.164 18817 4303 1 8 . 1 1 95 95 LYS CB C 95 32.120 32.120 32.302 -0.182 18817 4304 1 8 . 1 1 95 95 LYS H H 95 7.832 7.832 7.309 0.523 18817 4305 1 8 . 1 1 96 96 TYR N N 96 117.063 117.063 120.727 -3.664 18817 4306 1 8 . 1 1 96 96 TYR C C 96 176.535 176.535 176.771 -0.236 18817 4307 1 8 . 1 1 96 96 TYR CA C 96 58.804 58.804 61.484 -2.680 18817 4308 1 8 . 1 1 96 96 TYR CB C 96 37.106 37.106 37.696 -0.590 18817 4309 1 8 . 1 1 96 96 TYR H H 96 7.916 7.916 8.283 -0.367 18817 4310 1 8 . 1 1 97 97 LYS N N 97 120.781 120.781 117.966 2.815 18817 4311 1 8 . 1 1 97 97 LYS C C 97 178.281 178.281 178.927 -0.646 18817 4312 1 8 . 1 1 97 97 LYS CA C 97 59.605 59.605 59.530 0.075 18817 4313 1 8 . 1 1 97 97 LYS CB C 97 31.265 31.265 31.845 -0.580 18817 4314 1 8 . 1 1 97 97 LYS H H 97 7.610 7.610 7.525 0.085 18817 4315 1 8 . 1 1 98 98 SER N N 98 113.319 113.319 114.137 -0.818 18817 4316 1 8 . 1 1 98 98 SER C C 98 176.355 176.355 176.545 -0.190 18817 4317 1 8 . 1 1 98 98 SER CA C 98 60.840 60.840 61.277 -0.437 18817 4318 1 8 . 1 1 98 98 SER CB C 98 61.944 61.944 62.474 -0.530 18817 4319 1 8 . 1 1 98 98 SER H H 98 8.180 8.180 7.256 0.924 18817 4320 1 8 . 1 1 99 99 GLN N N 99 121.218 121.218 121.306 -0.088 18817 4321 1 8 . 1 1 99 99 GLN C C 99 178.134 178.134 178.833 -0.699 18817 4322 1 8 . 1 1 99 99 GLN CA C 99 58.234 58.234 58.675 -0.441 18817 4323 1 8 . 1 1 99 99 GLN CB C 99 27.521 27.521 28.645 -1.124 18817 4324 1 8 . 1 1 99 99 GLN H H 99 7.822 7.822 7.432 0.390 18817 4325 1 8 . 1 1 100 100 ILE N N 100 119.936 119.936 117.146 2.790 18817 4326 1 8 . 1 1 100 100 ILE C C 100 177.443 177.443 177.659 -0.216 18817 4327 1 8 . 1 1 100 100 ILE CA C 100 63.808 63.808 64.436 -0.628 18817 4328 1 8 . 1 1 100 100 ILE CB C 100 36.622 36.622 37.090 -0.468 18817 4329 1 8 . 1 1 100 100 ILE H H 100 7.992 7.992 7.495 0.497 18817 4330 1 8 . 1 1 101 101 LEU N N 101 120.350 120.350 121.208 -0.858 18817 4331 1 8 . 1 1 101 101 LEU C C 101 178.913 178.913 178.600 0.313 18817 4332 1 8 . 1 1 101 101 LEU CA C 101 56.911 56.911 58.786 -1.875 18817 4333 1 8 . 1 1 101 101 LEU CB C 101 40.296 40.296 41.647 -1.351 18817 4334 1 8 . 1 1 101 101 LEU H H 101 7.861 7.861 7.668 0.193 18817 4335 1 8 . 1 1 102 102 ASN N N 102 117.859 117.859 117.546 0.313 18817 4336 1 8 . 1 1 102 102 ASN C C 102 177.647 177.647 177.519 0.128 18817 4337 1 8 . 1 1 102 102 ASN CA C 102 54.937 54.937 56.406 -1.469 18817 4338 1 8 . 1 1 102 102 ASN CB C 102 37.917 37.917 38.439 -0.522 18817 4339 1 8 . 1 1 102 102 ASN H H 102 7.767 7.767 7.637 0.130 18817 4340 1 8 . 1 1 103 103 LEU N N 103 122.625 122.625 121.703 0.922 18817 4341 1 8 . 1 1 103 103 LEU C C 103 178.656 178.656 178.418 0.238 18817 4342 1 8 . 1 1 103 103 LEU CA C 103 57.339 57.339 58.162 -0.823 18817 4343 1 8 . 1 1 103 103 LEU CB C 103 40.726 40.726 41.831 -1.105 18817 4344 1 8 . 1 1 103 103 LEU H H 103 8.021 8.021 7.582 0.439 18817 4345 1 8 . 1 1 104 104 GLU N N 104 118.900 118.900 117.665 1.235 18817 4346 1 8 . 1 1 104 104 GLU C C 104 178.825 178.825 178.983 -0.158 18817 4347 1 8 . 1 1 104 104 GLU CA C 104 58.665 58.665 59.693 -1.028 18817 4348 1 8 . 1 1 104 104 GLU CB C 104 27.791 27.791 29.268 -1.477 18817 4349 1 8 . 1 1 104 104 GLU H H 104 8.267 8.267 7.688 0.579 18817 4350 1 8 . 1 1 105 105 GLU N N 105 119.025 119.025 119.254 -0.229 18817 4351 1 8 . 1 1 105 105 GLU C C 105 178.532 178.532 178.688 -0.156 18817 4352 1 8 . 1 1 105 105 GLU CA C 105 57.823 57.823 58.686 -0.863 18817 4353 1 8 . 1 1 105 105 GLU CB C 105 28.159 28.159 29.460 -1.301 18817 4354 1 8 . 1 1 105 105 GLU H H 105 8.079 8.079 7.405 0.674 18817 4355 1 8 . 1 1 106 106 SER N N 106 116.209 116.209 115.885 0.324 18817 4356 1 8 . 1 1 106 106 SER C C 106 175.406 175.406 176.234 -0.828 18817 4357 1 8 . 1 1 106 106 SER CA C 106 60.134 60.134 61.540 -1.406 18817 4358 1 8 . 1 1 106 106 SER CB C 106 62.748 62.748 62.791 -0.043 18817 4359 1 8 . 1 1 106 106 SER H H 106 7.942 7.942 8.204 -0.262 18817 4360 1 8 . 1 1 107 107 LYS N N 107 121.873 121.873 119.775 2.098 18817 4361 1 8 . 1 1 107 107 LYS C C 107 177.217 177.217 178.232 -1.015 18817 4362 1 8 . 1 1 107 107 LYS CA C 107 59.017 59.017 58.911 0.106 18817 4363 1 8 . 1 1 107 107 LYS CB C 107 31.428 31.428 31.530 -0.102 18817 4364 1 8 . 1 1 107 107 LYS H H 107 7.917 7.917 7.499 0.418 18817 4365 1 8 . 1 1 108 108 ALA N N 108 121.920 121.920 120.879 1.041 18817 4366 1 8 . 1 1 108 108 ALA C C 108 179.577 179.577 179.327 0.250 18817 4367 1 8 . 1 1 108 108 ALA CA C 108 54.338 54.338 54.639 -0.301 18817 4368 1 8 . 1 1 108 108 ALA CB C 108 17.570 17.570 18.021 -0.451 18817 4369 1 8 . 1 1 108 108 ALA H H 108 7.956 7.956 7.523 0.433 18817 4370 1 8 . 1 1 109 109 THR N N 109 114.512 114.512 116.462 -1.950 18817 4371 1 8 . 1 1 109 109 THR C C 109 176.373 176.373 176.687 -0.314 18817 4372 1 8 . 1 1 109 109 THR CA C 109 64.381 64.381 66.713 -2.332 18817 4373 1 8 . 1 1 109 109 THR CB C 109 68.652 68.652 68.513 0.139 18817 4374 1 8 . 1 1 109 109 THR H H 109 7.844 7.844 7.201 0.643 18817 4375 1 8 . 1 1 110 110 ILE N N 110 122.486 122.486 120.195 2.291 18817 4376 1 8 . 1 1 110 110 ILE C C 110 177.059 177.059 177.934 -0.875 18817 4377 1 8 . 1 1 110 110 ILE CA C 110 64.071 64.071 64.654 -0.583 18817 4378 1 8 . 1 1 110 110 ILE CB C 110 36.915 36.915 37.366 -0.451 18817 4379 1 8 . 1 1 110 110 ILE H H 110 8.000 8.000 7.654 0.346 18817 4380 1 8 . 1 1 111 111 HIS N N 111 118.524 118.524 115.624 2.900 18817 4381 1 8 . 1 1 111 111 HIS C C 111 176.567 176.567 177.612 -1.045 18817 4382 1 8 . 1 1 111 111 HIS CA C 111 58.118 58.118 57.807 0.311 18817 4383 1 8 . 1 1 111 111 HIS CB C 111 28.153 28.153 29.213 -1.060 18817 4384 1 8 . 1 1 111 111 HIS H H 111 8.324 8.324 7.940 0.384 18817 4385 1 8 . 1 1 112 112 GLU N N 112 118.814 118.814 119.489 -0.675 18817 4386 1 8 . 1 1 112 112 GLU C C 112 177.683 177.683 178.144 -0.461 18817 4387 1 8 . 1 1 112 112 GLU CA C 112 57.625 57.625 57.977 -0.352 18817 4388 1 8 . 1 1 112 112 GLU CB C 112 28.429 28.429 29.365 -0.936 18817 4389 1 8 . 1 1 112 112 GLU H H 112 8.110 8.110 8.036 0.074 18817 4390 1 8 . 1 1 113 113 ASN N N 113 117.915 117.915 117.637 0.278 18817 4391 1 8 . 1 1 113 113 ASN C C 113 176.404 176.404 177.295 -0.891 18817 4392 1 8 . 1 1 113 113 ASN CA C 113 54.713 54.713 56.109 -1.396 18817 4393 1 8 . 1 1 113 113 ASN CB C 113 38.811 38.811 38.408 0.403 18817 4394 1 8 . 1 1 113 113 ASN H H 113 7.982 7.982 7.758 0.224 18817 4395 1 8 . 1 1 114 114 ILE N N 114 119.971 119.971 113.665 6.306 18817 4396 1 8 . 1 1 114 114 ILE C C 114 177.039 177.039 176.956 0.083 18817 4397 1 8 . 1 1 114 114 ILE CA C 114 63.324 63.324 62.780 0.544 18817 4398 1 8 . 1 1 114 114 ILE CB C 114 37.055 37.055 37.717 -0.662 18817 4399 1 8 . 1 1 114 114 ILE H H 114 8.041 8.041 7.244 0.797 18817 4400 1 8 . 1 1 115 115 GLY N N 115 108.864 108.864 107.529 1.335 18817 4401 1 8 . 1 1 115 115 GLY C C 115 175.204 175.204 175.416 -0.212 18817 4402 1 8 . 1 1 115 115 GLY CA C 115 45.868 45.868 46.118 -0.250 18817 4403 1 8 . 1 1 115 115 GLY H H 115 7.977 7.977 7.566 0.411 18817 4404 1 8 . 1 1 116 116 ALA N N 116 123.570 123.570 123.930 -0.360 18817 4405 1 8 . 1 1 116 116 ALA HA H 116 4.254 4.254 4.183 0.071 18817 4406 1 8 . 1 1 116 116 ALA C C 116 178.382 178.382 176.978 1.404 18817 4407 1 8 . 1 1 116 116 ALA CA C 116 52.974 52.974 52.743 0.231 18817 4408 1 8 . 1 1 116 116 ALA CB C 116 18.106 18.106 19.039 -0.933 18817 4409 1 8 . 1 1 116 116 ALA H H 116 7.818 7.818 7.718 0.100 18817 4410 1 8 . 1 1 117 117 ALA N N 117 120.751 120.751 121.209 -0.458 18817 4411 1 8 . 1 1 117 117 ALA C C 117 178.099 178.099 177.425 0.674 18817 4412 1 8 . 1 1 117 117 ALA CA C 117 52.818 52.818 52.748 0.070 18817 4413 1 8 . 1 1 117 117 ALA CB C 117 18.130 18.130 17.585 0.545 18817 4414 1 8 . 1 1 117 117 ALA H H 117 7.766 7.766 7.707 0.059 18817 4415 1 8 . 1 1 118 118 GLY N N 118 105.627 105.627 110.774 -5.147 18817 4416 1 8 . 1 1 118 118 GLY C C 118 174.144 174.144 173.876 0.268 18817 4417 1 8 . 1 1 118 118 GLY CA C 118 45.505 45.505 44.616 0.889 18817 4418 1 8 . 1 1 118 118 GLY H H 118 7.885 7.885 8.674 -0.789 18817 4419 1 8 . 1 1 119 119 PHE N N 119 119.825 119.825 117.571 2.254 18817 4420 1 8 . 1 1 119 119 PHE HA H 119 4.542 4.542 4.785 -0.243 18817 4421 1 8 . 1 1 119 119 PHE C C 119 175.543 175.543 174.768 0.775 18817 4422 1 8 . 1 1 119 119 PHE CA C 119 57.858 57.858 55.475 2.383 18817 4423 1 8 . 1 1 119 119 PHE CB C 119 38.866 38.866 39.401 -0.535 18817 4424 1 8 . 1 1 119 119 PHE H H 119 7.730 7.730 7.371 0.359 18817 4425 1 8 . 1 1 120 120 LYS N N 120 122.164 122.164 124.747 -2.583 18817 4426 1 8 . 1 1 120 120 LYS C C 120 175.748 175.748 175.914 -0.166 18817 4427 1 8 . 1 1 120 120 LYS CA C 120 55.644 55.644 56.445 -0.801 18817 4428 1 8 . 1 1 120 120 LYS CB C 120 32.442 32.442 30.480 1.962 18817 4429 1 8 . 1 1 120 120 LYS H H 120 7.897 7.897 8.658 -0.761 18817 4430 1 8 . 1 1 121 121 MET N N 121 119.305 119.305 119.703 -0.398 18817 4431 1 8 . 1 1 121 121 MET HA H 121 4.481 4.481 4.661 -0.180 18817 4432 1 8 . 1 1 121 121 MET C C 121 175.641 175.641 174.559 1.082 18817 4433 1 8 . 1 1 121 121 MET CA C 121 54.851 54.851 54.879 -0.028 18817 4434 1 8 . 1 1 121 121 MET CB C 121 32.855 32.855 34.727 -1.872 18817 4435 1 8 . 1 1 121 121 MET H H 121 7.937 7.937 8.201 -0.264 18817 4436 1 8 . 1 1 122 122 SER N N 122 117.184 117.184 118.855 -1.671 18817 4437 1 8 . 1 1 122 122 SER C C 122 173.619 173.619 174.124 -0.505 18817 4438 1 8 . 1 1 122 122 SER CA C 122 57.625 57.625 57.145 0.480 18817 4439 1 8 . 1 1 122 122 SER CB C 122 62.847 62.847 63.158 -0.311 18817 4440 1 8 . 1 1 122 122 SER H H 122 8.052 8.052 8.338 -0.286 18817 4441 1 9 . 1 1 2 2 SER C C 2 172.027 172.027 175.103 -3.076 18817 4442 1 9 . 1 1 2 2 SER CA C 2 56.474 56.474 57.855 -1.381 18817 4443 1 9 . 1 1 2 2 SER CB C 2 63.484 63.484 63.185 0.299 18817 4444 1 9 . 1 1 3 3 THR N N 3 119.004 119.004 120.898 -1.894 18817 4445 1 9 . 1 1 3 3 THR C C 3 175.867 175.867 175.857 0.010 18817 4446 1 9 . 1 1 3 3 THR CA C 3 65.068 65.068 65.111 -0.043 18817 4447 1 9 . 1 1 3 3 THR CB C 3 68.441 68.441 68.858 -0.417 18817 4448 1 9 . 1 1 3 3 THR H H 3 8.964 8.964 8.511 0.453 18817 4449 1 9 . 1 1 4 4 LEU N N 4 121.518 121.518 120.873 0.645 18817 4450 1 9 . 1 1 4 4 LEU C C 4 178.886 178.886 178.056 0.830 18817 4451 1 9 . 1 1 4 4 LEU CA C 4 57.246 57.246 57.978 -0.732 18817 4452 1 9 . 1 1 4 4 LEU CB C 4 40.645 40.645 41.675 -1.030 18817 4453 1 9 . 1 1 4 4 LEU H H 4 8.487 8.487 8.045 0.442 18817 4454 1 9 . 1 1 5 5 SER N N 5 117.162 117.162 113.632 3.530 18817 4455 1 9 . 1 1 5 5 SER C C 5 176.676 176.676 177.143 -0.467 18817 4456 1 9 . 1 1 5 5 SER CA C 5 60.827 60.827 61.211 -0.384 18817 4457 1 9 . 1 1 5 5 SER CB C 5 61.776 61.776 63.216 -1.440 18817 4458 1 9 . 1 1 5 5 SER H H 5 8.289 8.289 8.006 0.283 18817 4459 1 9 . 1 1 6 6 ASN N N 6 122.387 122.387 122.654 -0.267 18817 4460 1 9 . 1 1 6 6 ASN HA H 6 4.230 4.230 4.655 -0.425 18817 4461 1 9 . 1 1 6 6 ASN C C 6 177.833 177.833 177.834 -0.001 18817 4462 1 9 . 1 1 6 6 ASN CA C 6 55.400 55.400 56.079 -0.679 18817 4463 1 9 . 1 1 6 6 ASN CB C 6 37.348 37.348 38.511 -1.163 18817 4464 1 9 . 1 1 6 6 ASN H H 6 8.160 8.160 7.603 0.557 18817 4465 1 9 . 1 1 7 7 PHE N N 7 121.724 121.724 120.901 0.823 18817 4466 1 9 . 1 1 7 7 PHE C C 7 177.171 177.171 177.745 -0.574 18817 4467 1 9 . 1 1 7 7 PHE CA C 7 60.731 60.731 61.545 -0.814 18817 4468 1 9 . 1 1 7 7 PHE CB C 7 38.693 38.693 38.886 -0.193 18817 4469 1 9 . 1 1 7 7 PHE H H 7 8.254 8.254 9.007 -0.753 18817 4470 1 9 . 1 1 8 8 THR N N 8 113.736 113.736 117.105 -3.369 18817 4471 1 9 . 1 1 8 8 THR HA H 8 4.278 4.278 3.865 0.413 18817 4472 1 9 . 1 1 8 8 THR C C 8 176.016 176.016 176.201 -0.185 18817 4473 1 9 . 1 1 8 8 THR CA C 8 66.400 66.400 66.871 -0.471 18817 4474 1 9 . 1 1 8 8 THR CB C 8 67.084 67.084 68.570 -1.486 18817 4475 1 9 . 1 1 8 8 THR H H 8 8.399 8.399 7.968 0.431 18817 4476 1 9 . 1 1 9 9 GLN N N 9 121.349 121.349 119.264 2.085 18817 4477 1 9 . 1 1 9 9 GLN C C 9 178.464 178.464 178.332 0.132 18817 4478 1 9 . 1 1 9 9 GLN CA C 9 58.448 58.448 58.798 -0.350 18817 4479 1 9 . 1 1 9 9 GLN CB C 9 27.564 27.564 28.120 -0.556 18817 4480 1 9 . 1 1 9 9 GLN H H 9 7.942 7.942 7.998 -0.056 18817 4481 1 9 . 1 1 10 10 THR N N 10 117.451 117.451 116.904 0.547 18817 4482 1 9 . 1 1 10 10 THR HA H 10 4.278 4.278 3.970 0.308 18817 4483 1 9 . 1 1 10 10 THR C C 10 176.380 176.380 176.377 0.003 18817 4484 1 9 . 1 1 10 10 THR CA C 10 66.353 66.353 65.977 0.376 18817 4485 1 9 . 1 1 10 10 THR CB C 10 67.910 67.910 68.451 -0.541 18817 4486 1 9 . 1 1 10 10 THR H H 10 7.767 7.767 7.907 -0.140 18817 4487 1 9 . 1 1 11 11 LEU N N 11 121.448 121.448 122.043 -0.595 18817 4488 1 9 . 1 1 11 11 LEU C C 11 178.255 178.255 178.734 -0.479 18817 4489 1 9 . 1 1 11 11 LEU CA C 11 57.614 57.614 58.212 -0.598 18817 4490 1 9 . 1 1 11 11 LEU CB C 11 40.574 40.574 40.721 -0.147 18817 4491 1 9 . 1 1 11 11 LEU H H 11 7.958 7.958 7.762 0.196 18817 4492 1 9 . 1 1 12 12 GLU N N 12 117.911 117.911 118.108 -0.197 18817 4493 1 9 . 1 1 12 12 GLU C C 12 177.809 177.809 179.223 -1.414 18817 4494 1 9 . 1 1 12 12 GLU CA C 12 59.675 59.675 59.861 -0.186 18817 4495 1 9 . 1 1 12 12 GLU CB C 12 27.358 27.358 28.846 -1.488 18817 4496 1 9 . 1 1 12 12 GLU H H 12 8.206 8.206 7.944 0.262 18817 4497 1 9 . 1 1 13 13 ASP C C 13 178.880 178.880 178.586 0.294 18817 4498 1 9 . 1 1 13 13 ASP CA C 13 58.468 58.468 57.434 1.034 18817 4499 1 9 . 1 1 13 13 ASP CB C 13 40.613 40.613 40.750 -0.137 18817 4500 1 9 . 1 1 14 14 VAL N N 14 118.703 118.703 119.923 -1.220 18817 4501 1 9 . 1 1 14 14 VAL C C 14 177.885 177.885 177.668 0.217 18817 4502 1 9 . 1 1 14 14 VAL CA C 14 66.212 66.212 65.946 0.266 18817 4503 1 9 . 1 1 14 14 VAL CB C 14 30.614 30.614 31.761 -1.147 18817 4504 1 9 . 1 1 14 14 VAL H H 14 8.943 8.943 7.224 1.719 18817 4505 1 9 . 1 1 15 15 PHE N N 15 118.897 118.897 120.368 -1.471 18817 4506 1 9 . 1 1 15 15 PHE C C 15 177.542 177.542 177.615 -0.073 18817 4507 1 9 . 1 1 15 15 PHE CA C 15 61.165 61.165 62.020 -0.855 18817 4508 1 9 . 1 1 15 15 PHE CB C 15 37.723 37.723 39.124 -1.401 18817 4509 1 9 . 1 1 15 15 PHE H H 15 8.379 8.379 9.301 -0.922 18817 4510 1 9 . 1 1 16 16 ARG N N 16 119.285 119.285 118.715 0.570 18817 4511 1 9 . 1 1 16 16 ARG C C 16 177.852 177.852 179.023 -1.171 18817 4512 1 9 . 1 1 16 16 ARG CA C 16 59.972 59.972 58.969 1.003 18817 4513 1 9 . 1 1 16 16 ARG CB C 16 29.491 29.491 29.727 -0.236 18817 4514 1 9 . 1 1 16 16 ARG H H 16 8.455 8.455 8.134 0.321 18817 4515 1 9 . 1 1 17 17 ARG N N 17 117.721 117.721 120.278 -2.557 18817 4516 1 9 . 1 1 17 17 ARG C C 17 179.606 179.606 179.049 0.557 18817 4517 1 9 . 1 1 17 17 ARG CA C 17 58.965 58.965 59.396 -0.431 18817 4518 1 9 . 1 1 17 17 ARG CB C 17 29.220 29.220 30.154 -0.934 18817 4519 1 9 . 1 1 17 17 ARG H H 17 7.816 7.816 7.773 0.043 18817 4520 1 9 . 1 1 18 18 ILE N N 18 121.097 121.097 120.817 0.280 18817 4521 1 9 . 1 1 18 18 ILE C C 18 177.115 177.115 178.210 -1.095 18817 4522 1 9 . 1 1 18 18 ILE CA C 18 64.570 64.570 65.208 -0.638 18817 4523 1 9 . 1 1 18 18 ILE CB C 18 37.150 37.150 37.104 0.046 18817 4524 1 9 . 1 1 18 18 ILE H H 18 8.180 8.180 8.908 -0.728 18817 4525 1 9 . 1 1 19 19 PHE N N 19 120.545 120.545 121.529 -0.984 18817 4526 1 9 . 1 1 19 19 PHE C C 19 177.154 177.154 177.676 -0.522 18817 4527 1 9 . 1 1 19 19 PHE CA C 19 61.665 61.665 62.499 -0.834 18817 4528 1 9 . 1 1 19 19 PHE CB C 19 38.609 38.609 39.349 -0.740 18817 4529 1 9 . 1 1 19 19 PHE H H 19 8.407 8.407 7.653 0.754 18817 4530 1 9 . 1 1 20 20 ILE N N 20 118.206 118.206 118.917 -0.711 18817 4531 1 9 . 1 1 20 20 ILE C C 20 177.915 177.915 178.511 -0.596 18817 4532 1 9 . 1 1 20 20 ILE CA C 20 63.965 63.965 64.756 -0.791 18817 4533 1 9 . 1 1 20 20 ILE CB C 20 36.828 36.828 36.972 -0.144 18817 4534 1 9 . 1 1 20 20 ILE H H 20 8.350 8.350 7.840 0.510 18817 4535 1 9 . 1 1 21 21 THR N N 21 116.423 116.423 116.557 -0.134 18817 4536 1 9 . 1 1 21 21 THR C C 21 176.419 176.419 176.433 -0.014 18817 4537 1 9 . 1 1 21 21 THR CA C 21 66.069 66.069 66.171 -0.102 18817 4538 1 9 . 1 1 21 21 THR CB C 21 68.168 68.168 68.723 -0.555 18817 4539 1 9 . 1 1 21 21 THR H H 21 7.692 7.692 8.894 -1.202 18817 4540 1 9 . 1 1 22 22 TYR N N 22 121.108 121.108 124.374 -3.266 18817 4541 1 9 . 1 1 22 22 TYR C C 22 177.398 177.398 177.473 -0.075 18817 4542 1 9 . 1 1 22 22 TYR CA C 22 60.953 60.953 61.718 -0.765 18817 4543 1 9 . 1 1 22 22 TYR CB C 22 37.643 37.643 38.108 -0.465 18817 4544 1 9 . 1 1 22 22 TYR H H 22 8.028 8.028 8.510 -0.482 18817 4545 1 9 . 1 1 23 23 MET N N 23 118.337 118.337 116.890 1.447 18817 4546 1 9 . 1 1 23 23 MET C C 23 178.156 178.156 178.465 -0.309 18817 4547 1 9 . 1 1 23 23 MET CA C 23 57.078 57.078 57.230 -0.152 18817 4548 1 9 . 1 1 23 23 MET CB C 23 30.583 30.583 31.386 -0.803 18817 4549 1 9 . 1 1 23 23 MET H H 23 8.135 8.135 8.307 -0.172 18817 4550 1 9 . 1 1 24 24 ASP N N 24 118.883 118.883 120.430 -1.547 18817 4551 1 9 . 1 1 24 24 ASP C C 24 177.682 177.682 178.456 -0.774 18817 4552 1 9 . 1 1 24 24 ASP CA C 24 56.222 56.222 57.834 -1.612 18817 4553 1 9 . 1 1 24 24 ASP CB C 24 39.820 39.820 40.883 -1.063 18817 4554 1 9 . 1 1 24 24 ASP H H 24 8.208 8.208 7.633 0.575 18817 4555 1 9 . 1 1 25 25 ASN N N 25 116.989 116.989 118.704 -1.715 18817 4556 1 9 . 1 1 25 25 ASN C C 25 176.452 176.452 176.779 -0.327 18817 4557 1 9 . 1 1 25 25 ASN CA C 25 54.859 54.859 56.280 -1.421 18817 4558 1 9 . 1 1 25 25 ASN CB C 25 38.679 38.679 38.710 -0.031 18817 4559 1 9 . 1 1 25 25 ASN H H 25 7.746 7.746 8.304 -0.558 18817 4560 1 9 . 1 1 26 26 TRP N N 26 120.811 120.811 121.074 -0.263 18817 4561 1 9 . 1 1 26 26 TRP C C 26 177.694 177.694 176.534 1.160 18817 4562 1 9 . 1 1 26 26 TRP CA C 26 58.922 58.922 60.472 -1.550 18817 4563 1 9 . 1 1 26 26 TRP CB C 26 28.772 28.772 28.990 -0.218 18817 4564 1 9 . 1 1 26 26 TRP H H 26 7.951 7.951 7.843 0.108 18817 4565 1 9 . 1 1 27 27 ARG N N 27 119.926 119.926 118.464 1.462 18817 4566 1 9 . 1 1 27 27 ARG C C 27 177.355 177.355 178.660 -1.305 18817 4567 1 9 . 1 1 27 27 ARG CA C 27 57.844 57.844 58.291 -0.447 18817 4568 1 9 . 1 1 27 27 ARG CB C 27 29.249 29.249 30.061 -0.812 18817 4569 1 9 . 1 1 27 27 ARG H H 27 7.971 7.971 7.327 0.644 18817 4570 1 9 . 1 1 28 28 GLN N N 28 118.022 118.022 118.796 -0.774 18817 4571 1 9 . 1 1 28 28 GLN C C 28 176.547 176.547 177.604 -1.057 18817 4572 1 9 . 1 1 28 28 GLN CA C 28 56.751 56.751 58.023 -1.272 18817 4573 1 9 . 1 1 28 28 GLN CB C 28 28.167 28.167 28.654 -0.487 18817 4574 1 9 . 1 1 28 28 GLN H H 28 7.868 7.868 7.667 0.201 18817 4575 1 9 . 1 1 29 29 ASN N N 29 118.257 118.257 118.771 -0.514 18817 4576 1 9 . 1 1 29 29 ASN C C 29 175.576 175.576 176.615 -1.039 18817 4577 1 9 . 1 1 29 29 ASN CA C 29 53.311 53.311 55.452 -2.141 18817 4578 1 9 . 1 1 29 29 ASN CB C 29 38.530 38.530 38.031 0.499 18817 4579 1 9 . 1 1 29 29 ASN H H 29 7.915 7.915 8.672 -0.757 18817 4580 1 9 . 1 1 30 30 THR N N 30 113.464 113.464 115.022 -1.558 18817 4581 1 9 . 1 1 30 30 THR HA H 30 4.348 4.348 3.900 0.448 18817 4582 1 9 . 1 1 30 30 THR C C 30 175.453 175.453 175.974 -0.521 18817 4583 1 9 . 1 1 30 30 THR CA C 30 62.528 62.528 66.121 -3.594 18817 4584 1 9 . 1 1 30 30 THR CB C 30 69.103 69.103 68.348 0.755 18817 4585 1 9 . 1 1 30 30 THR H H 30 7.840 7.840 7.337 0.503 18817 4586 1 9 . 1 1 31 31 THR N N 31 116.868 116.868 115.743 1.125 18817 4587 1 9 . 1 1 31 31 THR C C 31 175.450 175.450 175.945 -0.495 18817 4588 1 9 . 1 1 31 31 THR CA C 31 63.705 63.705 65.987 -2.282 18817 4589 1 9 . 1 1 31 31 THR CB C 31 69.132 69.132 68.328 0.804 18817 4590 1 9 . 1 1 31 31 THR H H 31 7.955 7.955 8.019 -0.064 18817 4591 1 9 . 1 1 32 32 ALA N N 32 124.803 124.803 123.953 0.850 18817 4592 1 9 . 1 1 32 32 ALA C C 32 179.686 179.686 179.692 -0.006 18817 4593 1 9 . 1 1 32 32 ALA CA C 32 53.748 53.748 54.745 -0.997 18817 4594 1 9 . 1 1 32 32 ALA CB C 32 17.669 17.669 17.951 -0.282 18817 4595 1 9 . 1 1 32 32 ALA H H 32 8.226 8.226 7.325 0.901 18817 4596 1 9 . 1 1 33 33 GLU N N 33 118.847 118.847 118.352 0.495 18817 4597 1 9 . 1 1 33 33 GLU C C 33 177.525 177.525 178.845 -1.320 18817 4598 1 9 . 1 1 33 33 GLU CA C 33 58.026 58.026 59.555 -1.529 18817 4599 1 9 . 1 1 33 33 GLU CB C 33 27.793 27.793 29.302 -1.509 18817 4600 1 9 . 1 1 33 33 GLU H H 33 8.153 8.153 7.720 0.433 18817 4601 1 9 . 1 1 34 34 GLN N N 34 119.840 119.840 117.616 2.224 18817 4602 1 9 . 1 1 34 34 GLN C C 34 177.628 177.628 178.505 -0.877 18817 4603 1 9 . 1 1 34 34 GLN CA C 34 57.976 57.976 59.577 -1.601 18817 4604 1 9 . 1 1 34 34 GLN CB C 34 27.786 27.786 27.862 -0.076 18817 4605 1 9 . 1 1 34 34 GLN H H 34 8.109 8.109 7.688 0.421 18817 4606 1 9 . 1 1 35 35 GLU N N 35 119.894 119.894 118.275 1.619 18817 4607 1 9 . 1 1 35 35 GLU C C 35 178.149 178.149 178.656 -0.507 18817 4608 1 9 . 1 1 35 35 GLU CA C 35 58.160 58.160 59.436 -1.276 18817 4609 1 9 . 1 1 35 35 GLU CB C 35 28.337 28.337 29.135 -0.798 18817 4610 1 9 . 1 1 35 35 GLU H H 35 8.170 8.170 7.728 0.442 18817 4611 1 9 . 1 1 36 36 ALA N N 36 123.045 123.045 122.128 0.917 18817 4612 1 9 . 1 1 36 36 ALA C C 36 179.303 179.303 179.960 -0.657 18817 4613 1 9 . 1 1 36 36 ALA CA C 36 53.615 53.615 54.613 -0.998 18817 4614 1 9 . 1 1 36 36 ALA CB C 36 17.788 17.788 18.436 -0.648 18817 4615 1 9 . 1 1 36 36 ALA H H 36 7.884 7.884 7.437 0.447 18817 4616 1 9 . 1 1 37 37 LEU N N 37 119.469 119.469 119.350 0.119 18817 4617 1 9 . 1 1 37 37 LEU C C 37 178.226 178.226 179.592 -1.366 18817 4618 1 9 . 1 1 37 37 LEU CA C 37 56.671 56.671 58.014 -1.343 18817 4619 1 9 . 1 1 37 37 LEU CB C 37 40.965 40.965 41.870 -0.905 18817 4620 1 9 . 1 1 37 37 LEU H H 37 7.907 7.907 8.324 -0.417 18817 4621 1 9 . 1 1 38 38 GLN N N 38 118.655 118.655 118.096 0.559 18817 4622 1 9 . 1 1 38 38 GLN C C 38 176.775 176.775 178.399 -1.624 18817 4623 1 9 . 1 1 38 38 GLN CA C 38 57.420 57.420 58.868 -1.448 18817 4624 1 9 . 1 1 38 38 GLN CB C 38 28.042 28.042 28.471 -0.429 18817 4625 1 9 . 1 1 38 38 GLN H H 38 8.097 8.097 7.855 0.242 18817 4626 1 9 . 1 1 39 39 ALA N N 39 121.284 121.284 121.322 -0.038 18817 4627 1 9 . 1 1 39 39 ALA C C 39 178.516 178.516 177.868 0.648 18817 4628 1 9 . 1 1 39 39 ALA CA C 39 53.221 53.221 53.958 -0.737 18817 4629 1 9 . 1 1 39 39 ALA CB C 39 18.032 18.032 18.306 -0.274 18817 4630 1 9 . 1 1 39 39 ALA H H 39 7.724 7.724 7.537 0.187 18817 4631 1 9 . 1 1 40 40 LYS N N 40 118.343 118.343 117.064 1.279 18817 4632 1 9 . 1 1 40 40 LYS C C 40 176.835 176.835 178.189 -1.354 18817 4633 1 9 . 1 1 40 40 LYS CA C 40 56.436 56.436 57.336 -0.900 18817 4634 1 9 . 1 1 40 40 LYS CB C 40 32.005 32.005 32.559 -0.554 18817 4635 1 9 . 1 1 40 40 LYS H H 40 7.702 7.702 7.561 0.141 18817 4636 1 9 . 1 1 41 41 VAL N N 41 118.825 118.825 121.384 -2.559 18817 4637 1 9 . 1 1 41 41 VAL C C 41 175.383 175.383 174.232 1.151 18817 4638 1 9 . 1 1 41 41 VAL CA C 41 62.305 62.305 61.643 0.662 18817 4639 1 9 . 1 1 41 41 VAL CB C 41 31.695 31.695 31.579 0.116 18817 4640 1 9 . 1 1 41 41 VAL H H 41 7.723 7.723 7.312 0.411 18817 4641 1 9 . 1 1 42 42 ASP N N 42 122.980 122.980 122.495 0.485 18817 4642 1 9 . 1 1 42 42 ASP HA H 42 4.323 4.323 4.713 -0.390 18817 4643 1 9 . 1 1 42 42 ASP C C 42 176.128 176.128 176.458 -0.330 18817 4644 1 9 . 1 1 42 42 ASP CA C 42 53.641 53.641 52.479 1.162 18817 4645 1 9 . 1 1 42 42 ASP CB C 42 40.281 40.281 40.940 -0.659 18817 4646 1 9 . 1 1 42 42 ASP H H 42 8.229 8.229 7.788 0.441 18817 4647 1 9 . 1 1 43 43 ALA N N 43 123.146 123.146 129.939 -6.793 18817 4648 1 9 . 1 1 43 43 ALA C C 43 178.308 178.308 178.981 -0.673 18817 4649 1 9 . 1 1 43 43 ALA CA C 43 53.366 53.366 54.247 -0.881 18817 4650 1 9 . 1 1 43 43 ALA CB C 43 18.215 18.215 18.675 -0.461 18817 4651 1 9 . 1 1 43 43 ALA H H 43 8.095 8.095 8.705 -0.610 18817 4652 1 9 . 1 1 44 44 GLU N N 44 117.625 117.625 118.018 -0.393 18817 4653 1 9 . 1 1 44 44 GLU C C 44 176.974 176.974 177.126 -0.152 18817 4654 1 9 . 1 1 44 44 GLU CA C 44 57.011 57.011 58.520 -1.509 18817 4655 1 9 . 1 1 44 44 GLU CB C 44 28.434 28.434 29.719 -1.285 18817 4656 1 9 . 1 1 44 44 GLU H H 44 8.173 8.173 7.851 0.322 18817 4657 1 9 . 1 1 45 45 ASN N N 45 117.214 117.214 117.234 -0.020 18817 4658 1 9 . 1 1 45 45 ASN C C 45 176.652 176.652 175.801 0.851 18817 4659 1 9 . 1 1 45 45 ASN CA C 45 53.544 53.544 51.819 1.725 18817 4660 1 9 . 1 1 45 45 ASN CB C 45 38.334 38.334 37.872 0.462 18817 4661 1 9 . 1 1 45 45 ASN H H 45 8.059 8.059 7.891 0.168 18817 4662 1 9 . 1 1 46 46 PHE N N 46 120.987 120.987 121.993 -1.006 18817 4663 1 9 . 1 1 46 46 PHE C C 46 176.975 176.975 175.912 1.063 18817 4664 1 9 . 1 1 46 46 PHE CA C 46 60.113 60.113 61.232 -1.119 18817 4665 1 9 . 1 1 46 46 PHE CB C 46 38.290 38.290 38.846 -0.556 18817 4666 1 9 . 1 1 46 46 PHE H H 46 8.163 8.163 7.035 1.128 18817 4667 1 9 . 1 1 47 47 TYR N N 47 116.519 116.519 115.030 1.489 18817 4668 1 9 . 1 1 47 47 TYR C C 47 176.063 176.063 177.611 -1.548 18817 4669 1 9 . 1 1 47 47 TYR CA C 47 60.569 60.569 59.681 0.888 18817 4670 1 9 . 1 1 47 47 TYR CB C 47 36.886 36.886 36.804 0.082 18817 4671 1 9 . 1 1 47 47 TYR H H 47 7.417 7.417 6.678 0.739 18817 4672 1 9 . 1 1 48 48 TYR N N 48 116.519 116.519 120.252 -3.733 18817 4673 1 9 . 1 1 48 48 TYR C C 48 177.063 177.063 177.072 -0.009 18817 4674 1 9 . 1 1 48 48 TYR CA C 48 60.569 60.569 61.451 -0.882 18817 4675 1 9 . 1 1 48 48 TYR CB C 48 36.886 36.886 38.704 -1.818 18817 4676 1 9 . 1 1 48 48 TYR H H 48 7.417 7.417 8.003 -0.586 18817 4677 1 9 . 1 1 49 49 VAL N N 49 118.292 118.292 119.671 -1.379 18817 4678 1 9 . 1 1 49 49 VAL C C 49 177.154 177.154 177.808 -0.654 18817 4679 1 9 . 1 1 49 49 VAL CA C 49 66.194 66.194 65.954 0.240 18817 4680 1 9 . 1 1 49 49 VAL CB C 49 30.389 30.389 31.272 -0.883 18817 4681 1 9 . 1 1 49 49 VAL H H 49 7.439 7.439 7.180 0.259 18817 4682 1 9 . 1 1 50 50 ILE N N 50 117.581 117.581 116.973 0.608 18817 4683 1 9 . 1 1 50 50 ILE C C 50 177.307 177.307 177.648 -0.341 18817 4684 1 9 . 1 1 50 50 ILE CA C 50 63.876 63.876 64.662 -0.786 18817 4685 1 9 . 1 1 50 50 ILE CB C 50 35.725 35.725 37.073 -1.348 18817 4686 1 9 . 1 1 50 50 ILE H H 50 7.491 7.491 7.050 0.441 18817 4687 1 9 . 1 1 51 51 LEU N N 51 120.363 120.363 121.873 -1.510 18817 4688 1 9 . 1 1 51 51 LEU C C 51 178.335 178.335 178.344 -0.009 18817 4689 1 9 . 1 1 51 51 LEU CA C 51 58.042 58.042 58.427 -0.385 18817 4690 1 9 . 1 1 51 51 LEU CB C 51 40.550 40.550 41.629 -1.079 18817 4691 1 9 . 1 1 51 51 LEU H H 51 7.699 7.699 7.428 0.271 18817 4692 1 9 . 1 1 53 53 LEU C C 53 178.638 178.638 178.036 0.602 18817 4693 1 9 . 1 1 53 53 LEU CA C 53 57.795 57.795 57.607 0.188 18817 4694 1 9 . 1 1 53 53 LEU CB C 53 40.796 40.796 41.821 -1.025 18817 4695 1 9 . 1 1 54 54 MET N N 54 117.957 117.957 118.862 -0.905 18817 4696 1 9 . 1 1 54 54 MET C C 54 178.471 178.471 178.032 0.439 18817 4697 1 9 . 1 1 54 54 MET CA C 54 58.432 58.432 59.243 -0.811 18817 4698 1 9 . 1 1 54 54 MET CB C 54 31.395 31.395 32.343 -0.948 18817 4699 1 9 . 1 1 54 54 MET H H 54 8.396 8.396 7.713 0.683 18817 4700 1 9 . 1 1 56 56 MET C C 56 177.895 177.895 178.373 -0.478 18817 4701 1 9 . 1 1 56 56 MET CA C 56 58.793 58.793 59.384 -0.591 18817 4702 1 9 . 1 1 57 57 ILE N N 57 119.111 119.111 117.493 1.618 18817 4703 1 9 . 1 1 57 57 ILE C C 57 179.504 179.504 178.428 1.076 18817 4704 1 9 . 1 1 57 57 ILE CA C 57 64.890 64.890 64.468 0.422 18817 4705 1 9 . 1 1 57 57 ILE CB C 57 36.497 36.497 36.659 -0.162 18817 4706 1 9 . 1 1 57 57 ILE H H 57 8.556 8.556 7.604 0.952 18817 4707 1 9 . 1 1 58 58 GLY N N 58 111.097 111.097 108.714 2.383 18817 4708 1 9 . 1 1 58 58 GLY C C 58 174.211 174.211 176.536 -2.325 18817 4709 1 9 . 1 1 58 58 GLY CA C 58 47.038 47.038 47.147 -0.109 18817 4710 1 9 . 1 1 58 58 GLY H H 58 8.745 8.745 8.199 0.546 18817 4711 1 9 . 1 1 59 59 MET N N 59 120.903 120.903 121.303 -0.400 18817 4712 1 9 . 1 1 59 59 MET C C 59 178.075 178.075 178.476 -0.401 18817 4713 1 9 . 1 1 59 59 MET CA C 59 58.763 58.763 57.191 1.572 18817 4714 1 9 . 1 1 59 59 MET CB C 59 32.415 32.415 31.586 0.829 18817 4715 1 9 . 1 1 59 59 MET H H 59 8.612 8.612 8.319 0.293 18817 4716 1 9 . 1 1 60 60 PHE N N 60 117.888 117.888 119.626 -1.738 18817 4717 1 9 . 1 1 60 60 PHE C C 60 177.292 177.292 177.529 -0.237 18817 4718 1 9 . 1 1 60 60 PHE CA C 60 60.486 60.486 62.531 -2.045 18817 4719 1 9 . 1 1 60 60 PHE CB C 60 38.213 38.213 38.684 -0.471 18817 4720 1 9 . 1 1 60 60 PHE H H 60 8.495 8.495 8.000 0.495 18817 4721 1 9 . 1 1 61 61 SER N N 61 115.530 115.530 114.987 0.543 18817 4722 1 9 . 1 1 61 61 SER C C 61 175.141 175.141 176.524 -1.383 18817 4723 1 9 . 1 1 61 61 SER CA C 61 63.198 63.198 61.806 1.392 18817 4724 1 9 . 1 1 61 61 SER CB C 61 62.050 62.050 62.728 -0.678 18817 4725 1 9 . 1 1 61 61 SER H H 61 8.338 8.338 7.706 0.632 18817 4726 1 9 . 1 1 62 62 PHE N N 62 121.237 121.237 122.563 -1.326 18817 4727 1 9 . 1 1 62 62 PHE C C 62 176.761 176.761 177.531 -0.770 18817 4728 1 9 . 1 1 62 62 PHE CA C 62 60.791 60.791 61.802 -1.011 18817 4729 1 9 . 1 1 62 62 PHE CB C 62 38.124 38.124 39.044 -0.920 18817 4730 1 9 . 1 1 62 62 PHE H H 62 8.077 8.077 7.876 0.201 18817 4731 1 9 . 1 1 64 64 ILE N N 64 118.608 118.608 119.510 -0.902 18817 4732 1 9 . 1 1 64 64 ILE C C 64 177.805 177.805 178.027 -0.222 18817 4733 1 9 . 1 1 64 64 ILE CA C 64 64.465 64.465 65.550 -1.085 18817 4734 1 9 . 1 1 64 64 ILE CB C 64 35.984 35.984 37.651 -1.667 18817 4735 1 9 . 1 1 64 64 ILE H H 64 7.956 7.956 7.279 0.677 18817 4736 1 9 . 1 1 65 65 VAL N N 65 119.395 119.395 119.629 -0.234 18817 4737 1 9 . 1 1 65 65 VAL C C 65 177.045 177.045 177.396 -0.351 18817 4738 1 9 . 1 1 65 65 VAL CA C 65 66.773 66.773 66.847 -0.074 18817 4739 1 9 . 1 1 65 65 VAL CB C 65 30.099 30.099 31.213 -1.114 18817 4740 1 9 . 1 1 65 65 VAL H H 65 8.137 8.137 8.014 0.123 18817 4741 1 9 . 1 1 67 67 ILE C C 67 179.153 179.153 178.103 1.050 18817 4742 1 9 . 1 1 67 67 ILE CA C 67 64.933 64.933 62.214 2.719 18817 4743 1 9 . 1 1 67 67 ILE CB C 67 36.977 36.977 36.892 0.085 18817 4744 1 9 . 1 1 68 68 LEU N N 68 123.998 123.998 121.184 2.814 18817 4745 1 9 . 1 1 68 68 LEU HA H 68 4.301 4.301 4.119 0.182 18817 4746 1 9 . 1 1 68 68 LEU CA C 68 58.529 58.529 57.991 0.538 18817 4747 1 9 . 1 1 68 68 LEU CB C 68 40.768 40.768 41.787 -1.019 18817 4748 1 9 . 1 1 68 68 LEU H H 68 8.540 8.540 7.580 0.960 18817 4749 1 9 . 1 1 69 69 VAL N N 69 120.584 120.584 115.969 4.615 18817 4750 1 9 . 1 1 69 69 VAL C C 69 177.859 177.859 177.587 0.272 18817 4751 1 9 . 1 1 69 69 VAL CA C 69 65.949 65.949 66.708 -0.759 18817 4752 1 9 . 1 1 69 69 VAL CB C 69 30.847 30.847 31.211 -0.364 18817 4753 1 9 . 1 1 69 69 VAL H H 69 8.173 8.173 8.224 -0.051 18817 4754 1 9 . 1 1 70 70 SER N N 70 114.121 114.121 115.912 -1.791 18817 4755 1 9 . 1 1 70 70 SER CA C 70 61.630 61.630 61.701 -0.071 18817 4756 1 9 . 1 1 70 70 SER CB C 70 62.527 62.527 63.105 -0.578 18817 4757 1 9 . 1 1 70 70 SER H H 70 7.898 7.898 7.809 0.089 18817 4758 1 9 . 1 1 71 71 THR HA H 71 4.300 4.300 3.951 0.349 18817 4759 1 9 . 1 1 71 71 THR C C 71 176.381 176.381 176.460 -0.079 18817 4760 1 9 . 1 1 71 71 THR CA C 71 65.981 65.981 65.397 0.584 18817 4761 1 9 . 1 1 71 71 THR CB C 71 68.416 68.416 68.153 0.263 18817 4762 1 9 . 1 1 72 72 VAL N N 72 121.958 121.958 120.514 1.444 18817 4763 1 9 . 1 1 72 72 VAL C C 72 177.791 177.791 178.363 -0.572 18817 4764 1 9 . 1 1 72 72 VAL CA C 72 65.532 65.532 65.974 -0.442 18817 4765 1 9 . 1 1 72 72 VAL CB C 72 30.882 30.882 31.258 -0.376 18817 4766 1 9 . 1 1 72 72 VAL H H 72 8.092 8.092 8.100 -0.008 18817 4767 1 9 . 1 1 73 73 LYS C C 73 178.310 178.310 179.220 -0.910 18817 4768 1 9 . 1 1 73 73 LYS CA C 73 58.279 58.279 59.602 -1.323 18817 4769 1 9 . 1 1 73 73 LYS CB C 73 31.350 31.350 32.264 -0.914 18817 4770 1 9 . 1 1 74 74 SER N N 74 114.589 114.589 116.015 -1.426 18817 4771 1 9 . 1 1 74 74 SER C C 74 175.895 175.895 176.156 -0.261 18817 4772 1 9 . 1 1 74 74 SER CA C 74 59.979 59.979 61.559 -1.580 18817 4773 1 9 . 1 1 74 74 SER CB C 74 62.823 62.823 62.564 0.259 18817 4774 1 9 . 1 1 74 74 SER H H 74 7.816 7.816 8.805 -0.989 18817 4775 1 9 . 1 1 75 75 LYS N N 75 121.984 121.984 121.425 0.559 18817 4776 1 9 . 1 1 75 75 LYS C C 75 177.649 177.649 178.514 -0.865 18817 4777 1 9 . 1 1 75 75 LYS CA C 75 56.892 56.892 57.187 -0.295 18817 4778 1 9 . 1 1 75 75 LYS CB C 75 31.263 31.263 31.745 -0.482 18817 4779 1 9 . 1 1 75 75 LYS H H 75 7.964 7.964 7.456 0.508 18817 4780 1 9 . 1 1 76 76 ARG N N 76 119.656 119.656 120.325 -0.669 18817 4781 1 9 . 1 1 76 76 ARG C C 76 177.010 177.010 177.063 -0.053 18817 4782 1 9 . 1 1 76 76 ARG CA C 76 56.671 56.671 58.575 -1.904 18817 4783 1 9 . 1 1 76 76 ARG CB C 76 29.471 29.471 30.110 -0.639 18817 4784 1 9 . 1 1 76 76 ARG H H 76 7.909 7.909 8.272 -0.363 18817 4785 1 9 . 1 1 77 77 ARG N N 77 120.815 120.815 116.898 3.917 18817 4786 1 9 . 1 1 77 77 ARG C C 77 176.633 176.633 176.943 -0.310 18817 4787 1 9 . 1 1 77 77 ARG CA C 77 56.355 56.355 56.873 -0.518 18817 4788 1 9 . 1 1 77 77 ARG CB C 77 29.718 29.718 30.483 -0.765 18817 4789 1 9 . 1 1 77 77 ARG H H 77 7.860 7.860 7.430 0.430 18817 4790 1 9 . 1 1 78 78 GLU N N 78 120.635 120.635 119.749 0.886 18817 4791 1 9 . 1 1 78 78 GLU C C 78 176.320 176.320 175.740 0.580 18817 4792 1 9 . 1 1 78 78 GLU CA C 78 56.368 56.368 55.322 1.046 18817 4793 1 9 . 1 1 78 78 GLU CB C 78 29.083 29.083 31.333 -2.250 18817 4794 1 9 . 1 1 78 78 GLU H H 78 8.119 8.119 7.832 0.287 18817 4795 1 9 . 1 1 79 79 HIS N N 79 117.659 117.659 120.594 -2.935 18817 4796 1 9 . 1 1 79 79 HIS C C 79 174.583 174.583 175.232 -0.649 18817 4797 1 9 . 1 1 79 79 HIS CA C 79 54.918 54.918 56.259 -1.341 18817 4798 1 9 . 1 1 79 79 HIS CB C 79 28.249 28.249 30.423 -2.174 18817 4799 1 9 . 1 1 79 79 HIS H H 79 8.042 8.042 8.281 -0.239 18817 4800 1 9 . 1 1 80 80 SER N N 80 116.920 116.920 114.900 2.020 18817 4801 1 9 . 1 1 80 80 SER C C 80 174.323 174.323 173.902 0.421 18817 4802 1 9 . 1 1 80 80 SER CA C 80 58.377 58.377 57.180 1.197 18817 4803 1 9 . 1 1 80 80 SER CB C 80 63.113 63.113 65.791 -2.678 18817 4804 1 9 . 1 1 80 80 SER H H 80 8.151 8.151 8.104 0.047 18817 4805 1 9 . 1 1 81 81 ASN N N 81 120.963 120.963 118.546 2.417 18817 4806 1 9 . 1 1 81 81 ASN C C 81 174.436 174.436 173.885 0.551 18817 4807 1 9 . 1 1 81 81 ASN CA C 81 52.945 52.945 53.861 -0.916 18817 4808 1 9 . 1 1 81 81 ASN CB C 81 38.324 38.324 39.186 -0.862 18817 4809 1 9 . 1 1 81 81 ASN H H 81 8.411 8.411 8.705 -0.294 18817 4810 1 9 . 1 1 83 83 PRO C C 83 176.072 176.072 175.667 0.405 18817 4811 1 9 . 1 1 83 83 PRO CA C 83 62.420 62.420 62.799 -0.379 18817 4812 1 9 . 1 1 83 83 PRO CB C 83 33.212 33.212 32.259 0.953 18817 4813 1 9 . 1 1 84 84 TYR N N 84 124.146 124.146 122.127 2.019 18817 4814 1 9 . 1 1 84 84 TYR C C 84 176.670 176.670 175.061 1.609 18817 4815 1 9 . 1 1 84 84 TYR CA C 84 55.352 55.352 58.150 -2.798 18817 4816 1 9 . 1 1 84 84 TYR CB C 84 40.958 40.958 39.209 1.749 18817 4817 1 9 . 1 1 84 84 TYR H H 84 8.487 8.487 8.464 0.023 18817 4818 1 9 . 1 1 86 86 GLN C C 86 177.884 177.884 177.764 0.120 18817 4819 1 9 . 1 1 86 86 GLN CA C 86 59.593 59.593 58.277 1.316 18817 4820 1 9 . 1 1 86 86 GLN CB C 86 27.335 27.335 28.819 -1.484 18817 4821 1 9 . 1 1 87 87 TYR N N 87 119.339 119.339 118.560 0.779 18817 4822 1 9 . 1 1 87 87 TYR C C 87 178.922 178.922 177.331 1.591 18817 4823 1 9 . 1 1 87 87 TYR CA C 87 57.225 57.225 57.400 -0.175 18817 4824 1 9 . 1 1 87 87 TYR CB C 87 40.155 40.155 37.252 2.903 18817 4825 1 9 . 1 1 87 87 TYR H H 87 7.981 7.981 8.342 -0.361 18817 4826 1 9 . 1 1 88 88 ILE C C 88 175.951 175.951 177.680 -1.729 18817 4827 1 9 . 1 1 89 89 VAL N N 89 119.921 119.921 118.671 1.250 18817 4828 1 9 . 1 1 89 89 VAL C C 89 177.806 177.806 177.320 0.486 18817 4829 1 9 . 1 1 89 89 VAL CA C 89 63.289 63.289 65.817 -2.529 18817 4830 1 9 . 1 1 89 89 VAL CB C 89 31.247 31.247 31.534 -0.287 18817 4831 1 9 . 1 1 89 89 VAL H H 89 7.397 7.397 7.519 -0.122 18817 4832 1 9 . 1 1 90 90 GLU N N 90 119.266 119.266 120.640 -1.374 18817 4833 1 9 . 1 1 90 90 GLU C C 90 178.316 178.316 178.337 -0.021 18817 4834 1 9 . 1 1 90 90 GLU CA C 90 58.285 58.285 59.984 -1.699 18817 4835 1 9 . 1 1 90 90 GLU CB C 90 31.270 31.270 29.042 2.228 18817 4836 1 9 . 1 1 90 90 GLU H H 90 8.111 8.111 8.219 -0.108 18817 4837 1 9 . 1 1 91 91 ASP C C 91 177.542 177.542 178.190 -0.648 18817 4838 1 9 . 1 1 91 91 ASP CA C 91 56.637 56.637 58.241 -1.604 18817 4839 1 9 . 1 1 91 91 ASP CB C 91 38.852 38.852 40.541 -1.689 18817 4840 1 9 . 1 1 92 92 TRP N N 92 120.874 120.874 120.247 0.627 18817 4841 1 9 . 1 1 92 92 TRP C C 92 177.384 177.384 178.959 -1.575 18817 4842 1 9 . 1 1 92 92 TRP CA C 92 59.510 59.510 61.116 -1.606 18817 4843 1 9 . 1 1 92 92 TRP CB C 92 27.817 27.817 29.784 -1.967 18817 4844 1 9 . 1 1 92 92 TRP H H 92 7.852 7.852 7.503 0.349 18817 4845 1 9 . 1 1 93 93 GLN N N 93 119.478 119.478 117.409 2.069 18817 4846 1 9 . 1 1 93 93 GLN C C 93 177.653 177.653 178.600 -0.947 18817 4847 1 9 . 1 1 93 93 GLN CA C 93 58.991 58.991 59.308 -0.317 18817 4848 1 9 . 1 1 93 93 GLN CB C 93 27.205 27.205 28.624 -1.419 18817 4849 1 9 . 1 1 93 93 GLN H H 93 8.010 8.010 8.178 -0.168 18817 4850 1 9 . 1 1 94 94 GLU N N 94 117.531 117.531 121.000 -3.469 18817 4851 1 9 . 1 1 94 94 GLU C C 94 178.798 178.798 178.873 -0.075 18817 4852 1 9 . 1 1 94 94 GLU CA C 94 57.794 57.794 59.464 -1.670 18817 4853 1 9 . 1 1 94 94 GLU CB C 94 28.816 28.816 29.714 -0.898 18817 4854 1 9 . 1 1 94 94 GLU H H 94 7.589 7.589 8.311 -0.722 18817 4855 1 9 . 1 1 95 95 LYS N N 95 119.905 119.905 119.356 0.549 18817 4856 1 9 . 1 1 95 95 LYS C C 95 178.416 178.416 179.314 -0.898 18817 4857 1 9 . 1 1 95 95 LYS CA C 95 58.576 58.576 58.039 0.537 18817 4858 1 9 . 1 1 95 95 LYS CB C 95 32.120 32.120 31.887 0.233 18817 4859 1 9 . 1 1 95 95 LYS H H 95 7.832 7.832 8.231 -0.399 18817 4860 1 9 . 1 1 96 96 TYR N N 96 117.063 117.063 120.363 -3.300 18817 4861 1 9 . 1 1 96 96 TYR C C 96 176.535 176.535 177.718 -1.183 18817 4862 1 9 . 1 1 96 96 TYR CA C 96 58.804 58.804 61.270 -2.466 18817 4863 1 9 . 1 1 96 96 TYR CB C 96 37.106 37.106 38.585 -1.479 18817 4864 1 9 . 1 1 96 96 TYR H H 96 7.916 7.916 7.781 0.135 18817 4865 1 9 . 1 1 97 97 LYS N N 97 120.781 120.781 120.172 0.609 18817 4866 1 9 . 1 1 97 97 LYS C C 97 178.281 178.281 178.915 -0.634 18817 4867 1 9 . 1 1 97 97 LYS CA C 97 59.605 59.605 59.930 -0.325 18817 4868 1 9 . 1 1 97 97 LYS CB C 97 31.265 31.265 32.472 -1.208 18817 4869 1 9 . 1 1 97 97 LYS H H 97 7.610 7.610 7.838 -0.228 18817 4870 1 9 . 1 1 98 98 SER N N 98 113.319 113.319 115.405 -2.086 18817 4871 1 9 . 1 1 98 98 SER C C 98 176.355 176.355 176.930 -0.575 18817 4872 1 9 . 1 1 98 98 SER CA C 98 60.840 60.840 61.454 -0.614 18817 4873 1 9 . 1 1 98 98 SER CB C 98 61.944 61.944 62.758 -0.813 18817 4874 1 9 . 1 1 98 98 SER H H 98 8.180 8.180 8.023 0.157 18817 4875 1 9 . 1 1 99 99 GLN N N 99 121.218 121.218 121.666 -0.448 18817 4876 1 9 . 1 1 99 99 GLN C C 99 178.134 178.134 178.537 -0.403 18817 4877 1 9 . 1 1 99 99 GLN CA C 99 58.234 58.234 58.935 -0.701 18817 4878 1 9 . 1 1 99 99 GLN CB C 99 27.521 27.521 28.586 -1.065 18817 4879 1 9 . 1 1 99 99 GLN H H 99 7.822 7.822 7.468 0.354 18817 4880 1 9 . 1 1 100 100 ILE N N 100 119.936 119.936 119.878 0.058 18817 4881 1 9 . 1 1 100 100 ILE C C 100 177.443 177.443 178.030 -0.587 18817 4882 1 9 . 1 1 100 100 ILE CA C 100 63.808 63.808 64.725 -0.917 18817 4883 1 9 . 1 1 100 100 ILE CB C 100 36.622 36.622 38.071 -1.448 18817 4884 1 9 . 1 1 100 100 ILE H H 100 7.992 7.992 7.548 0.444 18817 4885 1 9 . 1 1 101 101 LEU N N 101 120.350 120.350 121.105 -0.755 18817 4886 1 9 . 1 1 101 101 LEU C C 101 178.913 178.913 178.175 0.738 18817 4887 1 9 . 1 1 101 101 LEU CA C 101 56.911 56.911 57.936 -1.025 18817 4888 1 9 . 1 1 101 101 LEU CB C 101 40.296 40.296 41.836 -1.540 18817 4889 1 9 . 1 1 101 101 LEU H H 101 7.861 7.861 8.393 -0.532 18817 4890 1 9 . 1 1 102 102 ASN N N 102 117.859 117.859 117.200 0.659 18817 4891 1 9 . 1 1 102 102 ASN C C 102 177.647 177.647 177.384 0.263 18817 4892 1 9 . 1 1 102 102 ASN CA C 102 54.937 54.937 55.602 -0.665 18817 4893 1 9 . 1 1 102 102 ASN CB C 102 37.917 37.917 38.420 -0.503 18817 4894 1 9 . 1 1 102 102 ASN H H 102 7.767 7.767 8.180 -0.413 18817 4895 1 9 . 1 1 103 103 LEU N N 103 122.625 122.625 120.997 1.628 18817 4896 1 9 . 1 1 103 103 LEU C C 103 178.656 178.656 178.675 -0.019 18817 4897 1 9 . 1 1 103 103 LEU CA C 103 57.339 57.339 57.874 -0.535 18817 4898 1 9 . 1 1 103 103 LEU CB C 103 40.726 40.726 41.608 -0.882 18817 4899 1 9 . 1 1 103 103 LEU H H 103 8.021 8.021 7.351 0.670 18817 4900 1 9 . 1 1 104 104 GLU N N 104 118.900 118.900 119.214 -0.314 18817 4901 1 9 . 1 1 104 104 GLU C C 104 178.825 178.825 178.803 0.022 18817 4902 1 9 . 1 1 104 104 GLU CA C 104 58.665 58.665 60.085 -1.420 18817 4903 1 9 . 1 1 104 104 GLU CB C 104 27.791 27.791 29.452 -1.661 18817 4904 1 9 . 1 1 104 104 GLU H H 104 8.267 8.267 7.820 0.447 18817 4905 1 9 . 1 1 105 105 GLU N N 105 119.025 119.025 117.457 1.568 18817 4906 1 9 . 1 1 105 105 GLU C C 105 178.532 178.532 178.888 -0.356 18817 4907 1 9 . 1 1 105 105 GLU CA C 105 57.823 57.823 59.041 -1.218 18817 4908 1 9 . 1 1 105 105 GLU CB C 105 28.159 28.159 29.203 -1.044 18817 4909 1 9 . 1 1 105 105 GLU H H 105 8.079 8.079 7.859 0.220 18817 4910 1 9 . 1 1 106 106 SER N N 106 116.209 116.209 115.423 0.786 18817 4911 1 9 . 1 1 106 106 SER C C 106 175.406 175.406 176.417 -1.011 18817 4912 1 9 . 1 1 106 106 SER CA C 106 60.134 60.134 61.026 -0.892 18817 4913 1 9 . 1 1 106 106 SER CB C 106 62.748 62.748 63.064 -0.316 18817 4914 1 9 . 1 1 106 106 SER H H 106 7.942 7.942 7.813 0.129 18817 4915 1 9 . 1 1 107 107 LYS N N 107 121.873 121.873 122.172 -0.299 18817 4916 1 9 . 1 1 107 107 LYS C C 107 177.217 177.217 178.329 -1.112 18817 4917 1 9 . 1 1 107 107 LYS CA C 107 59.017 59.017 59.267 -0.250 18817 4918 1 9 . 1 1 107 107 LYS CB C 107 31.428 31.428 32.443 -1.015 18817 4919 1 9 . 1 1 107 107 LYS H H 107 7.917 7.917 7.479 0.438 18817 4920 1 9 . 1 1 108 108 ALA N N 108 121.920 121.920 119.792 2.128 18817 4921 1 9 . 1 1 108 108 ALA C C 108 179.577 179.577 179.274 0.303 18817 4922 1 9 . 1 1 108 108 ALA CA C 108 54.338 54.338 55.563 -1.225 18817 4923 1 9 . 1 1 108 108 ALA CB C 108 17.570 17.570 18.117 -0.547 18817 4924 1 9 . 1 1 108 108 ALA H H 108 7.956 7.956 7.764 0.192 18817 4925 1 9 . 1 1 109 109 THR N N 109 114.512 114.512 113.462 1.050 18817 4926 1 9 . 1 1 109 109 THR C C 109 176.373 176.373 176.498 -0.125 18817 4927 1 9 . 1 1 109 109 THR CA C 109 64.381 64.381 65.796 -1.415 18817 4928 1 9 . 1 1 109 109 THR CB C 109 68.652 68.652 68.215 0.437 18817 4929 1 9 . 1 1 109 109 THR H H 109 7.844 7.844 7.455 0.389 18817 4930 1 9 . 1 1 110 110 ILE N N 110 122.486 122.486 122.031 0.455 18817 4931 1 9 . 1 1 110 110 ILE C C 110 177.059 177.059 177.770 -0.711 18817 4932 1 9 . 1 1 110 110 ILE CA C 110 64.071 64.071 65.205 -1.134 18817 4933 1 9 . 1 1 110 110 ILE CB C 110 36.915 36.915 37.191 -0.275 18817 4934 1 9 . 1 1 110 110 ILE H H 110 8.000 8.000 7.347 0.653 18817 4935 1 9 . 1 1 111 111 HIS N N 111 118.524 118.524 118.121 0.403 18817 4936 1 9 . 1 1 111 111 HIS C C 111 176.567 176.567 177.179 -0.612 18817 4937 1 9 . 1 1 111 111 HIS CA C 111 58.118 58.118 59.839 -1.721 18817 4938 1 9 . 1 1 111 111 HIS CB C 111 28.153 28.153 29.878 -1.725 18817 4939 1 9 . 1 1 111 111 HIS H H 111 8.324 8.324 8.104 0.220 18817 4940 1 9 . 1 1 112 112 GLU N N 112 118.814 118.814 119.102 -0.288 18817 4941 1 9 . 1 1 112 112 GLU C C 112 177.683 177.683 178.492 -0.809 18817 4942 1 9 . 1 1 112 112 GLU CA C 112 57.625 57.625 58.992 -1.367 18817 4943 1 9 . 1 1 112 112 GLU CB C 112 28.429 28.429 29.597 -1.168 18817 4944 1 9 . 1 1 112 112 GLU H H 112 8.110 8.110 7.762 0.348 18817 4945 1 9 . 1 1 113 113 ASN N N 113 117.915 117.915 118.428 -0.513 18817 4946 1 9 . 1 1 113 113 ASN C C 113 176.404 176.404 178.454 -2.050 18817 4947 1 9 . 1 1 113 113 ASN CA C 113 54.713 54.713 55.658 -0.945 18817 4948 1 9 . 1 1 113 113 ASN CB C 113 38.811 38.811 38.098 0.713 18817 4949 1 9 . 1 1 113 113 ASN H H 113 7.982 7.982 7.875 0.107 18817 4950 1 9 . 1 1 114 114 ILE N N 114 119.971 119.971 120.138 -0.167 18817 4951 1 9 . 1 1 114 114 ILE C C 114 177.039 177.039 177.855 -0.816 18817 4952 1 9 . 1 1 114 114 ILE CA C 114 63.324 63.324 64.697 -1.373 18817 4953 1 9 . 1 1 114 114 ILE CB C 114 37.055 37.055 37.324 -0.269 18817 4954 1 9 . 1 1 114 114 ILE H H 114 8.041 8.041 8.140 -0.099 18817 4955 1 9 . 1 1 115 115 GLY N N 115 108.864 108.864 107.262 1.602 18817 4956 1 9 . 1 1 115 115 GLY C C 115 175.204 175.204 175.437 -0.233 18817 4957 1 9 . 1 1 115 115 GLY CA C 115 45.868 45.868 46.683 -0.815 18817 4958 1 9 . 1 1 115 115 GLY H H 115 7.977 7.977 7.698 0.279 18817 4959 1 9 . 1 1 116 116 ALA N N 116 123.570 123.570 124.697 -1.127 18817 4960 1 9 . 1 1 116 116 ALA HA H 116 4.254 4.254 4.238 0.016 18817 4961 1 9 . 1 1 116 116 ALA C C 116 178.382 178.382 178.115 0.267 18817 4962 1 9 . 1 1 116 116 ALA CA C 116 52.974 52.974 54.097 -1.123 18817 4963 1 9 . 1 1 116 116 ALA CB C 116 18.106 18.106 18.412 -0.305 18817 4964 1 9 . 1 1 116 116 ALA H H 116 7.818 7.818 7.681 0.137 18817 4965 1 9 . 1 1 117 117 ALA N N 117 120.751 120.751 119.474 1.277 18817 4966 1 9 . 1 1 117 117 ALA C C 117 178.099 178.099 176.885 1.214 18817 4967 1 9 . 1 1 117 117 ALA CA C 117 52.818 52.818 51.796 1.022 18817 4968 1 9 . 1 1 117 117 ALA CB C 117 18.130 18.130 19.547 -1.417 18817 4969 1 9 . 1 1 117 117 ALA H H 117 7.766 7.766 7.844 -0.078 18817 4970 1 9 . 1 1 118 118 GLY N N 118 105.627 105.627 107.511 -1.884 18817 4971 1 9 . 1 1 118 118 GLY C C 118 174.144 174.144 172.043 2.101 18817 4972 1 9 . 1 1 118 118 GLY CA C 118 45.505 45.505 45.779 -0.274 18817 4973 1 9 . 1 1 118 118 GLY H H 118 7.885 7.885 7.744 0.141 18817 4974 1 9 . 1 1 119 119 PHE N N 119 119.825 119.825 123.374 -3.549 18817 4975 1 9 . 1 1 119 119 PHE HA H 119 4.542 4.542 5.001 -0.459 18817 4976 1 9 . 1 1 119 119 PHE C C 119 175.543 175.543 174.216 1.327 18817 4977 1 9 . 1 1 119 119 PHE CA C 119 57.858 57.858 56.832 1.026 18817 4978 1 9 . 1 1 119 119 PHE CB C 119 38.866 38.866 39.523 -0.657 18817 4979 1 9 . 1 1 119 119 PHE H H 119 7.730 7.730 8.162 -0.432 18817 4980 1 9 . 1 1 120 120 LYS N N 120 122.164 122.164 125.338 -3.174 18817 4981 1 9 . 1 1 120 120 LYS C C 120 175.748 175.748 176.635 -0.887 18817 4982 1 9 . 1 1 120 120 LYS CA C 120 55.644 55.644 56.000 -0.356 18817 4983 1 9 . 1 1 120 120 LYS CB C 120 32.442 32.442 33.017 -0.575 18817 4984 1 9 . 1 1 120 120 LYS H H 120 7.897 7.897 8.353 -0.456 18817 4985 1 9 . 1 1 121 121 MET N N 121 119.305 119.305 122.293 -2.988 18817 4986 1 9 . 1 1 121 121 MET HA H 121 4.481 4.481 4.495 -0.014 18817 4987 1 9 . 1 1 121 121 MET C C 121 175.641 175.641 176.111 -0.470 18817 4988 1 9 . 1 1 121 121 MET CA C 121 54.851 54.851 55.204 -0.353 18817 4989 1 9 . 1 1 121 121 MET CB C 121 32.855 32.855 33.053 -0.198 18817 4990 1 9 . 1 1 121 121 MET H H 121 7.937 7.937 7.887 0.050 18817 4991 1 9 . 1 1 122 122 SER N N 122 117.184 117.184 119.270 -2.086 18817 4992 1 9 . 1 1 122 122 SER C C 122 173.619 173.619 173.465 0.154 18817 4993 1 9 . 1 1 122 122 SER CA C 122 57.625 57.625 57.500 0.125 18817 4994 1 9 . 1 1 122 122 SER CB C 122 62.847 62.847 63.148 -0.301 18817 4995 1 9 . 1 1 122 122 SER H H 122 8.052 8.052 8.399 -0.347 18817 4996 1 10 . 1 1 2 2 SER C C 2 172.027 172.027 175.044 -3.017 18817 4997 1 10 . 1 1 2 2 SER CA C 2 56.474 56.474 57.836 -1.361 18817 4998 1 10 . 1 1 2 2 SER CB C 2 63.484 63.484 63.381 0.103 18817 4999 1 10 . 1 1 3 3 THR N N 3 119.004 119.004 115.239 3.765 18817 5000 1 10 . 1 1 3 3 THR C C 3 175.867 175.867 176.021 -0.154 18817 5001 1 10 . 1 1 3 3 THR CA C 3 65.068 65.068 65.085 -0.017 18817 5002 1 10 . 1 1 3 3 THR CB C 3 68.441 68.441 68.787 -0.346 18817 5003 1 10 . 1 1 3 3 THR H H 3 8.964 8.964 8.687 0.277 18817 5004 1 10 . 1 1 4 4 LEU N N 4 121.518 121.518 119.258 2.260 18817 5005 1 10 . 1 1 4 4 LEU C C 4 178.886 178.886 178.439 0.447 18817 5006 1 10 . 1 1 4 4 LEU CA C 4 57.246 57.246 57.806 -0.560 18817 5007 1 10 . 1 1 4 4 LEU CB C 4 40.645 40.645 41.105 -0.460 18817 5008 1 10 . 1 1 4 4 LEU H H 4 8.487 8.487 7.756 0.731 18817 5009 1 10 . 1 1 5 5 SER N N 5 117.162 117.162 117.357 -0.195 18817 5010 1 10 . 1 1 5 5 SER C C 5 176.676 176.676 176.880 -0.204 18817 5011 1 10 . 1 1 5 5 SER CA C 5 60.827 60.827 61.469 -0.642 18817 5012 1 10 . 1 1 5 5 SER CB C 5 61.776 61.776 63.086 -1.310 18817 5013 1 10 . 1 1 5 5 SER H H 5 8.289 8.289 7.548 0.741 18817 5014 1 10 . 1 1 6 6 ASN N N 6 122.387 122.387 121.042 1.345 18817 5015 1 10 . 1 1 6 6 ASN HA H 6 4.230 4.230 4.511 -0.281 18817 5016 1 10 . 1 1 6 6 ASN C C 6 177.833 177.833 177.441 0.392 18817 5017 1 10 . 1 1 6 6 ASN CA C 6 55.400 55.400 56.548 -1.148 18817 5018 1 10 . 1 1 6 6 ASN CB C 6 37.348 37.348 38.254 -0.906 18817 5019 1 10 . 1 1 6 6 ASN H H 6 8.160 8.160 8.439 -0.279 18817 5020 1 10 . 1 1 7 7 PHE N N 7 121.724 121.724 120.202 1.522 18817 5021 1 10 . 1 1 7 7 PHE C C 7 177.171 177.171 176.823 0.348 18817 5022 1 10 . 1 1 7 7 PHE CA C 7 60.731 60.731 60.349 0.382 18817 5023 1 10 . 1 1 7 7 PHE CB C 7 38.693 38.693 39.013 -0.320 18817 5024 1 10 . 1 1 7 7 PHE H H 7 8.254 8.254 7.827 0.427 18817 5025 1 10 . 1 1 8 8 THR N N 8 113.736 113.736 113.551 0.185 18817 5026 1 10 . 1 1 8 8 THR HA H 8 4.278 4.278 3.395 0.883 18817 5027 1 10 . 1 1 8 8 THR C C 8 176.016 176.016 176.660 -0.644 18817 5028 1 10 . 1 1 8 8 THR CA C 8 66.400 66.400 65.594 0.806 18817 5029 1 10 . 1 1 8 8 THR CB C 8 67.084 67.084 68.442 -1.358 18817 5030 1 10 . 1 1 8 8 THR H H 8 8.399 8.399 7.557 0.842 18817 5031 1 10 . 1 1 9 9 GLN N N 9 121.349 121.349 120.433 0.916 18817 5032 1 10 . 1 1 9 9 GLN C C 9 178.464 178.464 177.869 0.595 18817 5033 1 10 . 1 1 9 9 GLN CA C 9 58.448 58.448 59.292 -0.844 18817 5034 1 10 . 1 1 9 9 GLN CB C 9 27.564 27.564 28.666 -1.102 18817 5035 1 10 . 1 1 9 9 GLN H H 9 7.942 7.942 8.454 -0.512 18817 5036 1 10 . 1 1 10 10 THR N N 10 117.451 117.451 116.161 1.290 18817 5037 1 10 . 1 1 10 10 THR HA H 10 4.278 4.278 3.967 0.311 18817 5038 1 10 . 1 1 10 10 THR C C 10 176.380 176.380 176.254 0.126 18817 5039 1 10 . 1 1 10 10 THR CA C 10 66.353 66.353 66.398 -0.045 18817 5040 1 10 . 1 1 10 10 THR CB C 10 67.910 67.910 68.404 -0.494 18817 5041 1 10 . 1 1 10 10 THR H H 10 7.767 7.767 7.292 0.475 18817 5042 1 10 . 1 1 11 11 LEU N N 11 121.448 121.448 120.717 0.731 18817 5043 1 10 . 1 1 11 11 LEU C C 11 178.255 178.255 178.999 -0.744 18817 5044 1 10 . 1 1 11 11 LEU CA C 11 57.614 57.614 57.681 -0.067 18817 5045 1 10 . 1 1 11 11 LEU CB C 11 40.574 40.574 40.939 -0.365 18817 5046 1 10 . 1 1 11 11 LEU H H 11 7.958 7.958 7.386 0.572 18817 5047 1 10 . 1 1 12 12 GLU N N 12 117.911 117.911 118.801 -0.890 18817 5048 1 10 . 1 1 12 12 GLU C C 12 177.809 177.809 178.894 -1.085 18817 5049 1 10 . 1 1 12 12 GLU CA C 12 59.675 59.675 58.937 0.738 18817 5050 1 10 . 1 1 12 12 GLU CB C 12 27.358 27.358 28.853 -1.495 18817 5051 1 10 . 1 1 12 12 GLU H H 12 8.206 8.206 7.560 0.646 18817 5052 1 10 . 1 1 13 13 ASP C C 13 178.880 178.880 178.909 -0.029 18817 5053 1 10 . 1 1 13 13 ASP CA C 13 58.468 58.468 57.382 1.086 18817 5054 1 10 . 1 1 13 13 ASP CB C 13 40.613 40.613 40.570 0.043 18817 5055 1 10 . 1 1 14 14 VAL N N 14 118.703 118.703 119.566 -0.863 18817 5056 1 10 . 1 1 14 14 VAL C C 14 177.885 177.885 178.118 -0.233 18817 5057 1 10 . 1 1 14 14 VAL CA C 14 66.212 66.212 66.759 -0.547 18817 5058 1 10 . 1 1 14 14 VAL CB C 14 30.614 30.614 32.066 -1.452 18817 5059 1 10 . 1 1 14 14 VAL H H 14 8.943 8.943 7.470 1.473 18817 5060 1 10 . 1 1 15 15 PHE N N 15 118.897 118.897 119.523 -0.626 18817 5061 1 10 . 1 1 15 15 PHE C C 15 177.542 177.542 177.971 -0.429 18817 5062 1 10 . 1 1 15 15 PHE CA C 15 61.165 61.165 61.056 0.109 18817 5063 1 10 . 1 1 15 15 PHE CB C 15 37.723 37.723 38.344 -0.621 18817 5064 1 10 . 1 1 15 15 PHE H H 15 8.379 8.379 7.560 0.819 18817 5065 1 10 . 1 1 16 16 ARG N N 16 119.285 119.285 119.869 -0.584 18817 5066 1 10 . 1 1 16 16 ARG C C 16 177.852 177.852 178.284 -0.432 18817 5067 1 10 . 1 1 16 16 ARG CA C 16 59.972 59.972 59.358 0.614 18817 5068 1 10 . 1 1 16 16 ARG CB C 16 29.491 29.491 30.044 -0.554 18817 5069 1 10 . 1 1 16 16 ARG H H 16 8.455 8.455 8.900 -0.445 18817 5070 1 10 . 1 1 17 17 ARG N N 17 117.721 117.721 120.076 -2.355 18817 5071 1 10 . 1 1 17 17 ARG C C 17 179.606 179.606 179.022 0.584 18817 5072 1 10 . 1 1 17 17 ARG CA C 17 58.965 58.965 59.603 -0.638 18817 5073 1 10 . 1 1 17 17 ARG CB C 17 29.220 29.220 30.089 -0.869 18817 5074 1 10 . 1 1 17 17 ARG H H 17 7.816 7.816 8.073 -0.257 18817 5075 1 10 . 1 1 18 18 ILE N N 18 121.097 121.097 120.320 0.777 18817 5076 1 10 . 1 1 18 18 ILE C C 18 177.115 177.115 178.366 -1.251 18817 5077 1 10 . 1 1 18 18 ILE CA C 18 64.570 64.570 65.074 -0.504 18817 5078 1 10 . 1 1 18 18 ILE CB C 18 37.150 37.150 37.999 -0.849 18817 5079 1 10 . 1 1 18 18 ILE H H 18 8.180 8.180 8.218 -0.038 18817 5080 1 10 . 1 1 19 19 PHE N N 19 120.545 120.545 120.409 0.136 18817 5081 1 10 . 1 1 19 19 PHE C C 19 177.154 177.154 177.840 -0.686 18817 5082 1 10 . 1 1 19 19 PHE CA C 19 61.665 61.665 61.312 0.353 18817 5083 1 10 . 1 1 19 19 PHE CB C 19 38.609 38.609 38.702 -0.093 18817 5084 1 10 . 1 1 19 19 PHE H H 19 8.407 8.407 8.121 0.286 18817 5085 1 10 . 1 1 20 20 ILE N N 20 118.206 118.206 119.965 -1.759 18817 5086 1 10 . 1 1 20 20 ILE C C 20 177.915 177.915 177.716 0.199 18817 5087 1 10 . 1 1 20 20 ILE CA C 20 63.965 63.965 65.422 -1.457 18817 5088 1 10 . 1 1 20 20 ILE CB C 20 36.828 36.828 38.048 -1.220 18817 5089 1 10 . 1 1 20 20 ILE H H 20 8.350 8.350 8.893 -0.543 18817 5090 1 10 . 1 1 21 21 THR N N 21 116.423 116.423 116.385 0.038 18817 5091 1 10 . 1 1 21 21 THR C C 21 176.419 176.419 176.453 -0.034 18817 5092 1 10 . 1 1 21 21 THR CA C 21 66.069 66.069 67.314 -1.245 18817 5093 1 10 . 1 1 21 21 THR CB C 21 68.168 68.168 68.898 -0.730 18817 5094 1 10 . 1 1 21 21 THR H H 21 7.692 7.692 7.987 -0.295 18817 5095 1 10 . 1 1 22 22 TYR N N 22 121.108 121.108 123.314 -2.206 18817 5096 1 10 . 1 1 22 22 TYR C C 22 177.398 177.398 177.218 0.180 18817 5097 1 10 . 1 1 22 22 TYR CA C 22 60.953 60.953 61.490 -0.537 18817 5098 1 10 . 1 1 22 22 TYR CB C 22 37.643 37.643 38.043 -0.400 18817 5099 1 10 . 1 1 22 22 TYR H H 22 8.028 8.028 8.583 -0.555 18817 5100 1 10 . 1 1 23 23 MET N N 23 118.337 118.337 116.813 1.524 18817 5101 1 10 . 1 1 23 23 MET C C 23 178.156 178.156 178.024 0.132 18817 5102 1 10 . 1 1 23 23 MET CA C 23 57.078 57.078 58.425 -1.347 18817 5103 1 10 . 1 1 23 23 MET CB C 23 30.583 30.583 32.470 -1.887 18817 5104 1 10 . 1 1 23 23 MET H H 23 8.135 8.135 8.680 -0.545 18817 5105 1 10 . 1 1 24 24 ASP N N 24 118.883 118.883 120.832 -1.949 18817 5106 1 10 . 1 1 24 24 ASP C C 24 177.682 177.682 178.483 -0.801 18817 5107 1 10 . 1 1 24 24 ASP CA C 24 56.222 56.222 57.588 -1.366 18817 5108 1 10 . 1 1 24 24 ASP CB C 24 39.820 39.820 40.909 -1.089 18817 5109 1 10 . 1 1 24 24 ASP H H 24 8.208 8.208 7.963 0.245 18817 5110 1 10 . 1 1 25 25 ASN N N 25 116.989 116.989 117.882 -0.893 18817 5111 1 10 . 1 1 25 25 ASN C C 25 176.452 176.452 177.128 -0.676 18817 5112 1 10 . 1 1 25 25 ASN CA C 25 54.859 54.859 55.505 -0.646 18817 5113 1 10 . 1 1 25 25 ASN CB C 25 38.679 38.679 38.226 0.453 18817 5114 1 10 . 1 1 25 25 ASN H H 25 7.746 7.746 7.984 -0.238 18817 5115 1 10 . 1 1 26 26 TRP N N 26 120.811 120.811 120.302 0.509 18817 5116 1 10 . 1 1 26 26 TRP C C 26 177.694 177.694 177.937 -0.243 18817 5117 1 10 . 1 1 26 26 TRP CA C 26 58.922 58.922 59.744 -0.822 18817 5118 1 10 . 1 1 26 26 TRP CB C 26 28.772 28.772 29.408 -0.636 18817 5119 1 10 . 1 1 26 26 TRP H H 26 7.951 7.951 7.302 0.649 18817 5120 1 10 . 1 1 27 27 ARG N N 27 119.926 119.926 118.920 1.006 18817 5121 1 10 . 1 1 27 27 ARG C C 27 177.355 177.355 177.509 -0.154 18817 5122 1 10 . 1 1 27 27 ARG CA C 27 57.844 57.844 58.985 -1.141 18817 5123 1 10 . 1 1 27 27 ARG CB C 27 29.249 29.249 29.863 -0.613 18817 5124 1 10 . 1 1 27 27 ARG H H 27 7.971 7.971 7.533 0.438 18817 5125 1 10 . 1 1 28 28 GLN N N 28 118.022 118.022 117.862 0.160 18817 5126 1 10 . 1 1 28 28 GLN C C 28 176.547 176.547 177.576 -1.029 18817 5127 1 10 . 1 1 28 28 GLN CA C 28 56.751 56.751 58.646 -1.895 18817 5128 1 10 . 1 1 28 28 GLN CB C 28 28.167 28.167 28.132 0.035 18817 5129 1 10 . 1 1 28 28 GLN H H 28 7.868 7.868 7.615 0.253 18817 5130 1 10 . 1 1 29 29 ASN N N 29 118.257 118.257 117.833 0.424 18817 5131 1 10 . 1 1 29 29 ASN C C 29 175.576 175.576 176.948 -1.372 18817 5132 1 10 . 1 1 29 29 ASN CA C 29 53.311 53.311 55.950 -2.639 18817 5133 1 10 . 1 1 29 29 ASN CB C 29 38.530 38.530 38.287 0.243 18817 5134 1 10 . 1 1 29 29 ASN H H 29 7.915 7.915 7.486 0.429 18817 5135 1 10 . 1 1 30 30 THR N N 30 113.464 113.464 113.251 0.213 18817 5136 1 10 . 1 1 30 30 THR HA H 30 4.348 4.348 3.879 0.469 18817 5137 1 10 . 1 1 30 30 THR C C 30 175.453 175.453 176.466 -1.013 18817 5138 1 10 . 1 1 30 30 THR CA C 30 62.528 62.528 65.894 -3.366 18817 5139 1 10 . 1 1 30 30 THR CB C 30 69.103 69.103 68.317 0.786 18817 5140 1 10 . 1 1 30 30 THR H H 30 7.840 7.840 7.668 0.172 18817 5141 1 10 . 1 1 31 31 THR N N 31 116.868 116.868 115.117 1.751 18817 5142 1 10 . 1 1 31 31 THR C C 31 175.450 175.450 175.981 -0.531 18817 5143 1 10 . 1 1 31 31 THR CA C 31 63.705 63.705 64.586 -0.881 18817 5144 1 10 . 1 1 31 31 THR CB C 31 69.132 69.132 68.152 0.980 18817 5145 1 10 . 1 1 31 31 THR H H 31 7.955 7.955 7.399 0.556 18817 5146 1 10 . 1 1 32 32 ALA N N 32 124.803 124.803 124.761 0.042 18817 5147 1 10 . 1 1 32 32 ALA C C 32 179.686 179.686 179.606 0.080 18817 5148 1 10 . 1 1 32 32 ALA CA C 32 53.748 53.748 54.996 -1.248 18817 5149 1 10 . 1 1 32 32 ALA CB C 32 17.669 17.669 17.833 -0.164 18817 5150 1 10 . 1 1 32 32 ALA H H 32 8.226 8.226 7.807 0.419 18817 5151 1 10 . 1 1 33 33 GLU N N 33 118.847 118.847 118.342 0.505 18817 5152 1 10 . 1 1 33 33 GLU C C 33 177.525 177.525 179.145 -1.620 18817 5153 1 10 . 1 1 33 33 GLU CA C 33 58.026 58.026 59.538 -1.512 18817 5154 1 10 . 1 1 33 33 GLU CB C 33 27.793 27.793 29.466 -1.673 18817 5155 1 10 . 1 1 33 33 GLU H H 33 8.153 8.153 7.757 0.396 18817 5156 1 10 . 1 1 34 34 GLN N N 34 119.840 119.840 118.446 1.394 18817 5157 1 10 . 1 1 34 34 GLN C C 34 177.628 177.628 178.601 -0.973 18817 5158 1 10 . 1 1 34 34 GLN CA C 34 57.976 57.976 58.773 -0.797 18817 5159 1 10 . 1 1 34 34 GLN CB C 34 27.786 27.786 28.678 -0.892 18817 5160 1 10 . 1 1 34 34 GLN H H 34 8.109 8.109 7.559 0.550 18817 5161 1 10 . 1 1 35 35 GLU N N 35 119.894 119.894 119.348 0.546 18817 5162 1 10 . 1 1 35 35 GLU C C 35 178.149 178.149 178.496 -0.347 18817 5163 1 10 . 1 1 35 35 GLU CA C 35 58.160 58.160 58.521 -0.361 18817 5164 1 10 . 1 1 35 35 GLU CB C 35 28.337 28.337 29.908 -1.571 18817 5165 1 10 . 1 1 35 35 GLU H H 35 8.170 8.170 8.239 -0.069 18817 5166 1 10 . 1 1 36 36 ALA N N 36 123.045 123.045 122.338 0.707 18817 5167 1 10 . 1 1 36 36 ALA C C 36 179.303 179.303 179.671 -0.368 18817 5168 1 10 . 1 1 36 36 ALA CA C 36 53.615 53.615 54.675 -1.060 18817 5169 1 10 . 1 1 36 36 ALA CB C 36 17.788 17.788 18.314 -0.526 18817 5170 1 10 . 1 1 36 36 ALA H H 36 7.884 7.884 7.863 0.021 18817 5171 1 10 . 1 1 37 37 LEU N N 37 119.469 119.469 119.085 0.384 18817 5172 1 10 . 1 1 37 37 LEU C C 37 178.226 178.226 179.188 -0.962 18817 5173 1 10 . 1 1 37 37 LEU CA C 37 56.671 56.671 58.100 -1.429 18817 5174 1 10 . 1 1 37 37 LEU CB C 37 40.965 40.965 42.005 -1.040 18817 5175 1 10 . 1 1 37 37 LEU H H 37 7.907 7.907 7.909 -0.002 18817 5176 1 10 . 1 1 38 38 GLN N N 38 118.655 118.655 117.131 1.524 18817 5177 1 10 . 1 1 38 38 GLN C C 38 176.775 176.775 177.036 -0.261 18817 5178 1 10 . 1 1 38 38 GLN CA C 38 57.420 57.420 57.865 -0.445 18817 5179 1 10 . 1 1 38 38 GLN CB C 38 28.042 28.042 28.368 -0.326 18817 5180 1 10 . 1 1 38 38 GLN H H 38 8.097 8.097 7.730 0.367 18817 5181 1 10 . 1 1 39 39 ALA N N 39 121.284 121.284 120.929 0.355 18817 5182 1 10 . 1 1 39 39 ALA C C 39 178.516 178.516 178.382 0.134 18817 5183 1 10 . 1 1 39 39 ALA CA C 39 53.221 53.221 54.413 -1.192 18817 5184 1 10 . 1 1 39 39 ALA CB C 39 18.032 18.032 18.668 -0.636 18817 5185 1 10 . 1 1 39 39 ALA H H 39 7.724 7.724 7.473 0.251 18817 5186 1 10 . 1 1 40 40 LYS N N 40 118.343 118.343 116.009 2.334 18817 5187 1 10 . 1 1 40 40 LYS C C 40 176.835 176.835 176.926 -0.091 18817 5188 1 10 . 1 1 40 40 LYS CA C 40 56.436 56.436 57.014 -0.577 18817 5189 1 10 . 1 1 40 40 LYS CB C 40 32.005 32.005 33.819 -1.815 18817 5190 1 10 . 1 1 40 40 LYS H H 40 7.702 7.702 7.659 0.043 18817 5191 1 10 . 1 1 41 41 VAL N N 41 118.825 118.825 120.141 -1.316 18817 5192 1 10 . 1 1 41 41 VAL C C 41 175.383 175.383 174.104 1.279 18817 5193 1 10 . 1 1 41 41 VAL CA C 41 62.305 62.305 60.660 1.645 18817 5194 1 10 . 1 1 41 41 VAL CB C 41 31.695 31.695 34.371 -2.676 18817 5195 1 10 . 1 1 41 41 VAL H H 41 7.723 7.723 7.326 0.397 18817 5196 1 10 . 1 1 42 42 ASP N N 42 122.980 122.980 119.782 3.198 18817 5197 1 10 . 1 1 42 42 ASP HA H 42 4.323 4.323 4.425 -0.102 18817 5198 1 10 . 1 1 42 42 ASP C C 42 176.128 176.128 175.640 0.488 18817 5199 1 10 . 1 1 42 42 ASP CA C 42 53.641 53.641 55.290 -1.649 18817 5200 1 10 . 1 1 42 42 ASP CB C 42 40.281 40.281 40.463 -0.182 18817 5201 1 10 . 1 1 42 42 ASP H H 42 8.229 8.229 8.514 -0.285 18817 5202 1 10 . 1 1 43 43 ALA N N 43 123.146 123.146 121.224 1.922 18817 5203 1 10 . 1 1 43 43 ALA C C 43 178.308 178.308 178.717 -0.409 18817 5204 1 10 . 1 1 43 43 ALA CA C 43 53.366 53.366 53.918 -0.552 18817 5205 1 10 . 1 1 43 43 ALA CB C 43 18.215 18.215 18.716 -0.501 18817 5206 1 10 . 1 1 43 43 ALA H H 43 8.095 8.095 8.337 -0.242 18817 5207 1 10 . 1 1 44 44 GLU N N 44 117.625 117.625 118.052 -0.427 18817 5208 1 10 . 1 1 44 44 GLU C C 44 176.974 176.974 178.247 -1.273 18817 5209 1 10 . 1 1 44 44 GLU CA C 44 57.011 57.011 59.009 -1.998 18817 5210 1 10 . 1 1 44 44 GLU CB C 44 28.434 28.434 29.869 -1.435 18817 5211 1 10 . 1 1 44 44 GLU H H 44 8.173 8.173 8.702 -0.529 18817 5212 1 10 . 1 1 45 45 ASN N N 45 117.214 117.214 114.788 2.426 18817 5213 1 10 . 1 1 45 45 ASN C C 45 176.652 176.652 176.463 0.189 18817 5214 1 10 . 1 1 45 45 ASN CA C 45 53.544 53.544 55.699 -2.155 18817 5215 1 10 . 1 1 45 45 ASN CB C 45 38.334 38.334 37.147 1.187 18817 5216 1 10 . 1 1 45 45 ASN H H 45 8.059 8.059 8.427 -0.368 18817 5217 1 10 . 1 1 46 46 PHE N N 46 120.987 120.987 120.035 0.952 18817 5218 1 10 . 1 1 46 46 PHE C C 46 176.975 176.975 177.785 -0.810 18817 5219 1 10 . 1 1 46 46 PHE CA C 46 60.113 60.113 62.146 -2.033 18817 5220 1 10 . 1 1 46 46 PHE CB C 46 38.290 38.290 38.543 -0.253 18817 5221 1 10 . 1 1 46 46 PHE H H 46 8.163 8.163 8.733 -0.570 18817 5222 1 10 . 1 1 47 47 TYR N N 47 116.519 116.519 118.474 -1.955 18817 5223 1 10 . 1 1 47 47 TYR C C 47 176.063 176.063 177.532 -1.469 18817 5224 1 10 . 1 1 47 47 TYR CA C 47 60.569 60.569 61.518 -0.949 18817 5225 1 10 . 1 1 47 47 TYR CB C 47 36.886 36.886 38.007 -1.121 18817 5226 1 10 . 1 1 47 47 TYR H H 47 7.417 7.417 8.285 -0.868 18817 5227 1 10 . 1 1 48 48 TYR N N 48 116.519 116.519 119.650 -3.131 18817 5228 1 10 . 1 1 48 48 TYR C C 48 177.063 177.063 177.552 -0.489 18817 5229 1 10 . 1 1 48 48 TYR CA C 48 60.569 60.569 61.893 -1.324 18817 5230 1 10 . 1 1 48 48 TYR CB C 48 36.886 36.886 38.345 -1.459 18817 5231 1 10 . 1 1 48 48 TYR H H 48 7.417 7.417 8.200 -0.783 18817 5232 1 10 . 1 1 49 49 VAL N N 49 118.292 118.292 119.202 -0.910 18817 5233 1 10 . 1 1 49 49 VAL C C 49 177.154 177.154 178.049 -0.895 18817 5234 1 10 . 1 1 49 49 VAL CA C 49 66.194 66.194 67.402 -1.208 18817 5235 1 10 . 1 1 49 49 VAL CB C 49 30.389 30.389 31.327 -0.938 18817 5236 1 10 . 1 1 49 49 VAL H H 49 7.439 7.439 7.763 -0.324 18817 5237 1 10 . 1 1 50 50 ILE N N 50 117.581 117.581 119.397 -1.816 18817 5238 1 10 . 1 1 50 50 ILE C C 50 177.307 177.307 178.032 -0.725 18817 5239 1 10 . 1 1 50 50 ILE CA C 50 63.876 63.876 64.991 -1.115 18817 5240 1 10 . 1 1 50 50 ILE CB C 50 35.725 35.725 37.449 -1.724 18817 5241 1 10 . 1 1 50 50 ILE H H 50 7.491 7.491 7.203 0.288 18817 5242 1 10 . 1 1 51 51 LEU N N 51 120.363 120.363 121.328 -0.965 18817 5243 1 10 . 1 1 51 51 LEU C C 51 178.335 178.335 178.047 0.288 18817 5244 1 10 . 1 1 51 51 LEU CA C 51 58.042 58.042 58.192 -0.150 18817 5245 1 10 . 1 1 51 51 LEU CB C 51 40.550 40.550 41.511 -0.961 18817 5246 1 10 . 1 1 51 51 LEU H H 51 7.699 7.699 7.311 0.388 18817 5247 1 10 . 1 1 53 53 LEU C C 53 178.638 178.638 179.047 -0.409 18817 5248 1 10 . 1 1 53 53 LEU CA C 53 57.795 57.795 57.259 0.536 18817 5249 1 10 . 1 1 53 53 LEU CB C 53 40.796 40.796 41.996 -1.200 18817 5250 1 10 . 1 1 54 54 MET N N 54 117.957 117.957 119.399 -1.442 18817 5251 1 10 . 1 1 54 54 MET C C 54 178.471 178.471 178.507 -0.036 18817 5252 1 10 . 1 1 54 54 MET CA C 54 58.432 58.432 59.062 -0.630 18817 5253 1 10 . 1 1 54 54 MET CB C 54 31.395 31.395 32.357 -0.962 18817 5254 1 10 . 1 1 54 54 MET H H 54 8.396 8.396 7.864 0.532 18817 5255 1 10 . 1 1 56 56 MET C C 56 177.895 177.895 178.743 -0.848 18817 5256 1 10 . 1 1 56 56 MET CA C 56 58.793 58.793 59.767 -0.975 18817 5257 1 10 . 1 1 57 57 ILE N N 57 119.111 119.111 118.730 0.381 18817 5258 1 10 . 1 1 57 57 ILE C C 57 179.504 179.504 177.874 1.630 18817 5259 1 10 . 1 1 57 57 ILE CA C 57 64.890 64.890 65.326 -0.436 18817 5260 1 10 . 1 1 57 57 ILE CB C 57 36.497 36.497 37.864 -1.367 18817 5261 1 10 . 1 1 57 57 ILE H H 57 8.556 8.556 7.872 0.684 18817 5262 1 10 . 1 1 58 58 GLY N N 58 111.097 111.097 107.498 3.599 18817 5263 1 10 . 1 1 58 58 GLY C C 58 174.211 174.211 175.975 -1.764 18817 5264 1 10 . 1 1 58 58 GLY CA C 58 47.038 47.038 47.106 -0.068 18817 5265 1 10 . 1 1 58 58 GLY H H 58 8.745 8.745 7.878 0.867 18817 5266 1 10 . 1 1 59 59 MET N N 59 120.903 120.903 122.073 -1.170 18817 5267 1 10 . 1 1 59 59 MET C C 59 178.075 178.075 178.014 0.061 18817 5268 1 10 . 1 1 59 59 MET CA C 59 58.763 58.763 58.986 -0.223 18817 5269 1 10 . 1 1 59 59 MET CB C 59 32.415 32.415 32.817 -0.402 18817 5270 1 10 . 1 1 59 59 MET H H 59 8.612 8.612 8.580 0.032 18817 5271 1 10 . 1 1 60 60 PHE N N 60 117.888 117.888 119.173 -1.285 18817 5272 1 10 . 1 1 60 60 PHE C C 60 177.292 177.292 177.357 -0.065 18817 5273 1 10 . 1 1 60 60 PHE CA C 60 60.486 60.486 61.365 -0.879 18817 5274 1 10 . 1 1 60 60 PHE CB C 60 38.213 38.213 39.264 -1.051 18817 5275 1 10 . 1 1 60 60 PHE H H 60 8.495 8.495 8.784 -0.289 18817 5276 1 10 . 1 1 61 61 SER N N 61 115.530 115.530 115.670 -0.140 18817 5277 1 10 . 1 1 61 61 SER C C 61 175.141 175.141 176.988 -1.847 18817 5278 1 10 . 1 1 61 61 SER CA C 61 63.198 63.198 61.455 1.743 18817 5279 1 10 . 1 1 61 61 SER CB C 61 62.050 62.050 62.889 -0.839 18817 5280 1 10 . 1 1 61 61 SER H H 61 8.338 8.338 8.711 -0.373 18817 5281 1 10 . 1 1 62 62 PHE N N 62 121.237 121.237 121.361 -0.124 18817 5282 1 10 . 1 1 62 62 PHE C C 62 176.761 176.761 177.009 -0.248 18817 5283 1 10 . 1 1 62 62 PHE CA C 62 60.791 60.791 61.587 -0.795 18817 5284 1 10 . 1 1 62 62 PHE CB C 62 38.124 38.124 39.217 -1.093 18817 5285 1 10 . 1 1 62 62 PHE H H 62 8.077 8.077 7.862 0.215 18817 5286 1 10 . 1 1 64 64 ILE N N 64 118.608 118.608 119.681 -1.073 18817 5287 1 10 . 1 1 64 64 ILE C C 64 177.805 177.805 178.337 -0.532 18817 5288 1 10 . 1 1 64 64 ILE CA C 64 64.465 64.465 64.352 0.113 18817 5289 1 10 . 1 1 64 64 ILE CB C 64 35.984 35.984 37.099 -1.115 18817 5290 1 10 . 1 1 64 64 ILE H H 64 7.956 7.956 7.563 0.393 18817 5291 1 10 . 1 1 65 65 VAL N N 65 119.395 119.395 120.243 -0.848 18817 5292 1 10 . 1 1 65 65 VAL C C 65 177.045 177.045 177.543 -0.498 18817 5293 1 10 . 1 1 65 65 VAL CA C 65 66.773 66.773 66.622 0.151 18817 5294 1 10 . 1 1 65 65 VAL CB C 65 30.099 30.099 31.037 -0.938 18817 5295 1 10 . 1 1 65 65 VAL H H 65 8.137 8.137 7.470 0.667 18817 5296 1 10 . 1 1 67 67 ILE C C 67 179.153 179.153 177.780 1.373 18817 5297 1 10 . 1 1 67 67 ILE CA C 67 64.933 64.933 64.877 0.056 18817 5298 1 10 . 1 1 67 67 ILE CB C 67 36.977 36.977 37.631 -0.654 18817 5299 1 10 . 1 1 68 68 LEU N N 68 123.998 123.998 120.510 3.488 18817 5300 1 10 . 1 1 68 68 LEU HA H 68 4.301 4.301 3.944 0.357 18817 5301 1 10 . 1 1 68 68 LEU CA C 68 58.529 58.529 58.428 0.101 18817 5302 1 10 . 1 1 68 68 LEU CB C 68 40.768 40.768 41.638 -0.870 18817 5303 1 10 . 1 1 68 68 LEU H H 68 8.540 8.540 7.378 1.162 18817 5304 1 10 . 1 1 69 69 VAL N N 69 120.584 120.584 118.478 2.106 18817 5305 1 10 . 1 1 69 69 VAL C C 69 177.859 177.859 177.898 -0.039 18817 5306 1 10 . 1 1 69 69 VAL CA C 69 65.949 65.949 67.824 -1.875 18817 5307 1 10 . 1 1 69 69 VAL CB C 69 30.847 30.847 31.342 -0.495 18817 5308 1 10 . 1 1 69 69 VAL H H 69 8.173 8.173 7.687 0.486 18817 5309 1 10 . 1 1 70 70 SER N N 70 114.121 114.121 115.044 -0.923 18817 5310 1 10 . 1 1 70 70 SER CA C 70 61.630 61.630 62.222 -0.592 18817 5311 1 10 . 1 1 70 70 SER CB C 70 62.527 62.527 63.135 -0.608 18817 5312 1 10 . 1 1 70 70 SER H H 70 7.898 7.898 7.789 0.109 18817 5313 1 10 . 1 1 71 71 THR HA H 71 4.300 4.300 3.973 0.327 18817 5314 1 10 . 1 1 71 71 THR C C 71 176.381 176.381 176.971 -0.590 18817 5315 1 10 . 1 1 71 71 THR CA C 71 65.981 65.981 66.679 -0.698 18817 5316 1 10 . 1 1 71 71 THR CB C 71 68.416 68.416 68.632 -0.216 18817 5317 1 10 . 1 1 72 72 VAL N N 72 121.958 121.958 122.298 -0.340 18817 5318 1 10 . 1 1 72 72 VAL C C 72 177.791 177.791 177.144 0.647 18817 5319 1 10 . 1 1 72 72 VAL CA C 72 65.532 65.532 66.938 -1.406 18817 5320 1 10 . 1 1 72 72 VAL CB C 72 30.882 30.882 31.659 -0.777 18817 5321 1 10 . 1 1 72 72 VAL H H 72 8.092 8.092 8.504 -0.412 18817 5322 1 10 . 1 1 73 73 LYS C C 73 178.310 178.310 179.182 -0.872 18817 5323 1 10 . 1 1 73 73 LYS CA C 73 58.279 58.279 59.532 -1.252 18817 5324 1 10 . 1 1 73 73 LYS CB C 73 31.350 31.350 32.230 -0.879 18817 5325 1 10 . 1 1 74 74 SER N N 74 114.589 114.589 114.911 -0.322 18817 5326 1 10 . 1 1 74 74 SER C C 74 175.895 175.895 175.442 0.453 18817 5327 1 10 . 1 1 74 74 SER CA C 74 59.979 59.979 61.513 -1.534 18817 5328 1 10 . 1 1 74 74 SER CB C 74 62.823 62.823 63.091 -0.268 18817 5329 1 10 . 1 1 74 74 SER H H 74 7.816 7.816 8.471 -0.655 18817 5330 1 10 . 1 1 75 75 LYS N N 75 121.984 121.984 120.138 1.846 18817 5331 1 10 . 1 1 75 75 LYS C C 75 177.649 177.649 178.723 -1.074 18817 5332 1 10 . 1 1 75 75 LYS CA C 75 56.892 56.892 58.480 -1.588 18817 5333 1 10 . 1 1 75 75 LYS CB C 75 31.263 31.263 32.457 -1.194 18817 5334 1 10 . 1 1 75 75 LYS H H 75 7.964 7.964 7.656 0.308 18817 5335 1 10 . 1 1 76 76 ARG N N 76 119.656 119.656 117.352 2.304 18817 5336 1 10 . 1 1 76 76 ARG C C 76 177.010 177.010 176.666 0.344 18817 5337 1 10 . 1 1 76 76 ARG CA C 76 56.671 56.671 56.495 0.176 18817 5338 1 10 . 1 1 76 76 ARG CB C 76 29.471 29.471 30.625 -1.154 18817 5339 1 10 . 1 1 76 76 ARG H H 76 7.909 7.909 7.827 0.082 18817 5340 1 10 . 1 1 77 77 ARG N N 77 120.815 120.815 119.109 1.706 18817 5341 1 10 . 1 1 77 77 ARG C C 77 176.633 176.633 175.349 1.284 18817 5342 1 10 . 1 1 77 77 ARG CA C 77 56.355 56.355 57.372 -1.017 18817 5343 1 10 . 1 1 77 77 ARG CB C 77 29.718 29.718 28.278 1.440 18817 5344 1 10 . 1 1 77 77 ARG H H 77 7.860 7.860 7.749 0.111 18817 5345 1 10 . 1 1 78 78 GLU N N 78 120.635 120.635 120.111 0.524 18817 5346 1 10 . 1 1 78 78 GLU C C 78 176.320 176.320 175.439 0.881 18817 5347 1 10 . 1 1 78 78 GLU CA C 78 56.368 56.368 54.889 1.479 18817 5348 1 10 . 1 1 78 78 GLU CB C 78 29.083 29.083 29.778 -0.695 18817 5349 1 10 . 1 1 78 78 GLU H H 78 8.119 8.119 7.784 0.335 18817 5350 1 10 . 1 1 79 79 HIS N N 79 117.659 117.659 119.392 -1.733 18817 5351 1 10 . 1 1 79 79 HIS C C 79 174.583 174.583 174.926 -0.343 18817 5352 1 10 . 1 1 79 79 HIS CA C 79 54.918 54.918 57.550 -2.632 18817 5353 1 10 . 1 1 79 79 HIS CB C 79 28.249 28.249 30.576 -2.327 18817 5354 1 10 . 1 1 79 79 HIS H H 79 8.042 8.042 8.414 -0.372 18817 5355 1 10 . 1 1 80 80 SER N N 80 116.920 116.920 114.722 2.198 18817 5356 1 10 . 1 1 80 80 SER C C 80 174.323 174.323 173.966 0.357 18817 5357 1 10 . 1 1 80 80 SER CA C 80 58.377 58.377 58.721 -0.344 18817 5358 1 10 . 1 1 80 80 SER CB C 80 63.113 63.113 63.497 -0.384 18817 5359 1 10 . 1 1 80 80 SER H H 80 8.151 8.151 8.684 -0.533 18817 5360 1 10 . 1 1 81 81 ASN N N 81 120.963 120.963 122.736 -1.773 18817 5361 1 10 . 1 1 81 81 ASN C C 81 174.436 174.436 174.381 0.055 18817 5362 1 10 . 1 1 81 81 ASN CA C 81 52.945 52.945 53.621 -0.676 18817 5363 1 10 . 1 1 81 81 ASN CB C 81 38.324 38.324 37.890 0.434 18817 5364 1 10 . 1 1 81 81 ASN H H 81 8.411 8.411 8.641 -0.230 18817 5365 1 10 . 1 1 83 83 PRO C C 83 176.072 176.072 175.988 0.084 18817 5366 1 10 . 1 1 83 83 PRO CA C 83 62.420 62.420 62.864 -0.444 18817 5367 1 10 . 1 1 83 83 PRO CB C 83 33.212 33.212 32.262 0.950 18817 5368 1 10 . 1 1 84 84 TYR N N 84 124.146 124.146 124.511 -0.365 18817 5369 1 10 . 1 1 84 84 TYR C C 84 176.670 176.670 175.167 1.503 18817 5370 1 10 . 1 1 84 84 TYR CA C 84 55.352 55.352 58.051 -2.699 18817 5371 1 10 . 1 1 84 84 TYR CB C 84 40.958 40.958 38.581 2.377 18817 5372 1 10 . 1 1 84 84 TYR H H 84 8.487 8.487 8.491 -0.004 18817 5373 1 10 . 1 1 86 86 GLN C C 86 177.884 177.884 176.630 1.254 18817 5374 1 10 . 1 1 86 86 GLN CA C 86 59.593 59.593 58.320 1.273 18817 5375 1 10 . 1 1 86 86 GLN CB C 86 27.335 27.335 28.456 -1.121 18817 5376 1 10 . 1 1 87 87 TYR N N 87 119.339 119.339 119.234 0.105 18817 5377 1 10 . 1 1 87 87 TYR C C 87 178.922 178.922 176.600 2.322 18817 5378 1 10 . 1 1 87 87 TYR CA C 87 57.225 57.225 59.081 -1.856 18817 5379 1 10 . 1 1 87 87 TYR CB C 87 40.155 40.155 37.776 2.378 18817 5380 1 10 . 1 1 87 87 TYR H H 87 7.981 7.981 7.921 0.060 18817 5381 1 10 . 1 1 88 88 ILE C C 88 175.951 175.951 176.806 -0.855 18817 5382 1 10 . 1 1 89 89 VAL N N 89 119.921 119.921 117.305 2.616 18817 5383 1 10 . 1 1 89 89 VAL C C 89 177.806 177.806 177.887 -0.081 18817 5384 1 10 . 1 1 89 89 VAL CA C 89 63.289 63.289 65.897 -2.608 18817 5385 1 10 . 1 1 89 89 VAL CB C 89 31.247 31.247 31.116 0.131 18817 5386 1 10 . 1 1 89 89 VAL H H 89 7.397 7.397 7.173 0.224 18817 5387 1 10 . 1 1 90 90 GLU N N 90 119.266 119.266 120.168 -0.902 18817 5388 1 10 . 1 1 90 90 GLU C C 90 178.316 178.316 178.476 -0.160 18817 5389 1 10 . 1 1 90 90 GLU CA C 90 58.285 58.285 58.829 -0.544 18817 5390 1 10 . 1 1 90 90 GLU CB C 90 31.270 31.270 29.012 2.258 18817 5391 1 10 . 1 1 90 90 GLU H H 90 8.111 8.111 7.492 0.619 18817 5392 1 10 . 1 1 91 91 ASP C C 91 177.542 177.542 178.321 -0.779 18817 5393 1 10 . 1 1 91 91 ASP CA C 91 56.637 56.637 57.167 -0.530 18817 5394 1 10 . 1 1 91 91 ASP CB C 91 38.852 38.852 40.977 -2.126 18817 5395 1 10 . 1 1 92 92 TRP N N 92 120.874 120.874 120.112 0.762 18817 5396 1 10 . 1 1 92 92 TRP C C 92 177.384 177.384 178.195 -0.811 18817 5397 1 10 . 1 1 92 92 TRP CA C 92 59.510 59.510 59.974 -0.464 18817 5398 1 10 . 1 1 92 92 TRP CB C 92 27.817 27.817 29.679 -1.862 18817 5399 1 10 . 1 1 92 92 TRP H H 92 7.852 7.852 7.710 0.142 18817 5400 1 10 . 1 1 93 93 GLN N N 93 119.478 119.478 115.988 3.490 18817 5401 1 10 . 1 1 93 93 GLN C C 93 177.653 177.653 177.933 -0.280 18817 5402 1 10 . 1 1 93 93 GLN CA C 93 58.991 58.991 59.182 -0.191 18817 5403 1 10 . 1 1 93 93 GLN CB C 93 27.205 27.205 27.692 -0.487 18817 5404 1 10 . 1 1 93 93 GLN H H 93 8.010 8.010 8.149 -0.139 18817 5405 1 10 . 1 1 94 94 GLU N N 94 117.531 117.531 119.173 -1.642 18817 5406 1 10 . 1 1 94 94 GLU C C 94 178.798 178.798 178.560 0.238 18817 5407 1 10 . 1 1 94 94 GLU CA C 94 57.794 57.794 58.597 -0.803 18817 5408 1 10 . 1 1 94 94 GLU CB C 94 28.816 28.816 29.749 -0.933 18817 5409 1 10 . 1 1 94 94 GLU H H 94 7.589 7.589 7.689 -0.100 18817 5410 1 10 . 1 1 95 95 LYS N N 95 119.905 119.905 119.805 0.100 18817 5411 1 10 . 1 1 95 95 LYS C C 95 178.416 178.416 178.654 -0.238 18817 5412 1 10 . 1 1 95 95 LYS CA C 95 58.576 58.576 58.460 0.116 18817 5413 1 10 . 1 1 95 95 LYS CB C 95 32.120 32.120 32.516 -0.396 18817 5414 1 10 . 1 1 95 95 LYS H H 95 7.832 7.832 7.579 0.253 18817 5415 1 10 . 1 1 96 96 TYR N N 96 117.063 117.063 119.713 -2.650 18817 5416 1 10 . 1 1 96 96 TYR C C 96 176.535 176.535 176.911 -0.376 18817 5417 1 10 . 1 1 96 96 TYR CA C 96 58.804 58.804 60.545 -1.742 18817 5418 1 10 . 1 1 96 96 TYR CB C 96 37.106 37.106 38.319 -1.213 18817 5419 1 10 . 1 1 96 96 TYR H H 96 7.916 7.916 8.900 -0.984 18817 5420 1 10 . 1 1 97 97 LYS N N 97 120.781 120.781 118.557 2.224 18817 5421 1 10 . 1 1 97 97 LYS C C 97 178.281 178.281 178.568 -0.287 18817 5422 1 10 . 1 1 97 97 LYS CA C 97 59.605 59.605 59.406 0.199 18817 5423 1 10 . 1 1 97 97 LYS CB C 97 31.265 31.265 32.091 -0.826 18817 5424 1 10 . 1 1 97 97 LYS H H 97 7.610 7.610 7.426 0.184 18817 5425 1 10 . 1 1 98 98 SER N N 98 113.319 113.319 115.341 -2.022 18817 5426 1 10 . 1 1 98 98 SER C C 98 176.355 176.355 176.500 -0.145 18817 5427 1 10 . 1 1 98 98 SER CA C 98 60.840 60.840 60.799 0.041 18817 5428 1 10 . 1 1 98 98 SER CB C 98 61.944 61.944 62.631 -0.687 18817 5429 1 10 . 1 1 98 98 SER H H 98 8.180 8.180 7.474 0.706 18817 5430 1 10 . 1 1 99 99 GLN N N 99 121.218 121.218 121.444 -0.226 18817 5431 1 10 . 1 1 99 99 GLN C C 99 178.134 178.134 178.471 -0.337 18817 5432 1 10 . 1 1 99 99 GLN CA C 99 58.234 58.234 58.828 -0.594 18817 5433 1 10 . 1 1 99 99 GLN CB C 99 27.521 27.521 28.703 -1.182 18817 5434 1 10 . 1 1 99 99 GLN H H 99 7.822 7.822 7.690 0.132 18817 5435 1 10 . 1 1 100 100 ILE N N 100 119.936 119.936 119.128 0.808 18817 5436 1 10 . 1 1 100 100 ILE C C 100 177.443 177.443 177.790 -0.347 18817 5437 1 10 . 1 1 100 100 ILE CA C 100 63.808 63.808 63.604 0.204 18817 5438 1 10 . 1 1 100 100 ILE CB C 100 36.622 36.622 36.883 -0.261 18817 5439 1 10 . 1 1 100 100 ILE H H 100 7.992 7.992 7.304 0.688 18817 5440 1 10 . 1 1 101 101 LEU N N 101 120.350 120.350 121.057 -0.707 18817 5441 1 10 . 1 1 101 101 LEU C C 101 178.913 178.913 178.574 0.339 18817 5442 1 10 . 1 1 101 101 LEU CA C 101 56.911 56.911 58.175 -1.264 18817 5443 1 10 . 1 1 101 101 LEU CB C 101 40.296 40.296 41.599 -1.303 18817 5444 1 10 . 1 1 101 101 LEU H H 101 7.861 7.861 7.563 0.298 18817 5445 1 10 . 1 1 102 102 ASN N N 102 117.859 117.859 117.666 0.193 18817 5446 1 10 . 1 1 102 102 ASN C C 102 177.647 177.647 177.773 -0.126 18817 5447 1 10 . 1 1 102 102 ASN CA C 102 54.937 54.937 55.851 -0.914 18817 5448 1 10 . 1 1 102 102 ASN CB C 102 37.917 37.917 38.504 -0.587 18817 5449 1 10 . 1 1 102 102 ASN H H 102 7.767 7.767 7.773 -0.006 18817 5450 1 10 . 1 1 103 103 LEU N N 103 122.625 122.625 120.220 2.405 18817 5451 1 10 . 1 1 103 103 LEU C C 103 178.656 178.656 178.612 0.044 18817 5452 1 10 . 1 1 103 103 LEU CA C 103 57.339 57.339 57.341 -0.002 18817 5453 1 10 . 1 1 103 103 LEU CB C 103 40.726 40.726 41.042 -0.316 18817 5454 1 10 . 1 1 103 103 LEU H H 103 8.021 8.021 7.755 0.266 18817 5455 1 10 . 1 1 104 104 GLU N N 104 118.900 118.900 119.300 -0.400 18817 5456 1 10 . 1 1 104 104 GLU C C 104 178.825 178.825 178.807 0.018 18817 5457 1 10 . 1 1 104 104 GLU CA C 104 58.665 58.665 59.575 -0.910 18817 5458 1 10 . 1 1 104 104 GLU CB C 104 27.791 27.791 29.308 -1.516 18817 5459 1 10 . 1 1 104 104 GLU H H 104 8.267 8.267 8.025 0.242 18817 5460 1 10 . 1 1 105 105 GLU N N 105 119.025 119.025 118.496 0.529 18817 5461 1 10 . 1 1 105 105 GLU C C 105 178.532 178.532 178.854 -0.322 18817 5462 1 10 . 1 1 105 105 GLU CA C 105 57.823 57.823 58.825 -1.002 18817 5463 1 10 . 1 1 105 105 GLU CB C 105 28.159 28.159 29.363 -1.204 18817 5464 1 10 . 1 1 105 105 GLU H H 105 8.079 8.079 7.671 0.408 18817 5465 1 10 . 1 1 106 106 SER N N 106 116.209 116.209 115.365 0.844 18817 5466 1 10 . 1 1 106 106 SER C C 106 175.406 175.406 176.419 -1.013 18817 5467 1 10 . 1 1 106 106 SER CA C 106 60.134 60.134 61.402 -1.268 18817 5468 1 10 . 1 1 106 106 SER CB C 106 62.748 62.748 62.967 -0.219 18817 5469 1 10 . 1 1 106 106 SER H H 106 7.942 7.942 7.835 0.107 18817 5470 1 10 . 1 1 107 107 LYS N N 107 121.873 121.873 120.738 1.135 18817 5471 1 10 . 1 1 107 107 LYS C C 107 177.217 177.217 178.271 -1.054 18817 5472 1 10 . 1 1 107 107 LYS CA C 107 59.017 59.017 58.774 0.243 18817 5473 1 10 . 1 1 107 107 LYS CB C 107 31.428 31.428 32.321 -0.893 18817 5474 1 10 . 1 1 107 107 LYS H H 107 7.917 7.917 7.528 0.389 18817 5475 1 10 . 1 1 108 108 ALA N N 108 121.920 121.920 119.715 2.205 18817 5476 1 10 . 1 1 108 108 ALA C C 108 179.577 179.577 179.235 0.342 18817 5477 1 10 . 1 1 108 108 ALA CA C 108 54.338 54.338 55.315 -0.977 18817 5478 1 10 . 1 1 108 108 ALA CB C 108 17.570 17.570 18.130 -0.560 18817 5479 1 10 . 1 1 108 108 ALA H H 108 7.956 7.956 7.578 0.378 18817 5480 1 10 . 1 1 109 109 THR N N 109 114.512 114.512 110.715 3.797 18817 5481 1 10 . 1 1 109 109 THR C C 109 176.373 176.373 176.954 -0.581 18817 5482 1 10 . 1 1 109 109 THR CA C 109 64.381 64.381 64.894 -0.513 18817 5483 1 10 . 1 1 109 109 THR CB C 109 68.652 68.652 68.707 -0.055 18817 5484 1 10 . 1 1 109 109 THR H H 109 7.844 7.844 7.343 0.501 18817 5485 1 10 . 1 1 110 110 ILE N N 110 122.486 122.486 123.125 -0.639 18817 5486 1 10 . 1 1 110 110 ILE C C 110 177.059 177.059 177.937 -0.878 18817 5487 1 10 . 1 1 110 110 ILE CA C 110 64.071 64.071 64.622 -0.551 18817 5488 1 10 . 1 1 110 110 ILE CB C 110 36.915 36.915 37.465 -0.550 18817 5489 1 10 . 1 1 110 110 ILE H H 110 8.000 8.000 7.297 0.703 18817 5490 1 10 . 1 1 111 111 HIS N N 111 118.524 118.524 119.258 -0.734 18817 5491 1 10 . 1 1 111 111 HIS C C 111 176.567 176.567 177.125 -0.558 18817 5492 1 10 . 1 1 111 111 HIS CA C 111 58.118 58.118 60.243 -2.125 18817 5493 1 10 . 1 1 111 111 HIS CB C 111 28.153 28.153 29.864 -1.711 18817 5494 1 10 . 1 1 111 111 HIS H H 111 8.324 8.324 7.844 0.480 18817 5495 1 10 . 1 1 112 112 GLU N N 112 118.814 118.814 118.764 0.050 18817 5496 1 10 . 1 1 112 112 GLU C C 112 177.683 177.683 178.314 -0.631 18817 5497 1 10 . 1 1 112 112 GLU CA C 112 57.625 57.625 58.791 -1.166 18817 5498 1 10 . 1 1 112 112 GLU CB C 112 28.429 28.429 29.390 -0.961 18817 5499 1 10 . 1 1 112 112 GLU H H 112 8.110 8.110 8.002 0.108 18817 5500 1 10 . 1 1 113 113 ASN N N 113 117.915 117.915 117.496 0.419 18817 5501 1 10 . 1 1 113 113 ASN C C 113 176.404 176.404 177.471 -1.067 18817 5502 1 10 . 1 1 113 113 ASN CA C 113 54.713 54.713 56.255 -1.542 18817 5503 1 10 . 1 1 113 113 ASN CB C 113 38.811 38.811 38.568 0.243 18817 5504 1 10 . 1 1 113 113 ASN H H 113 7.982 7.982 8.020 -0.038 18817 5505 1 10 . 1 1 114 114 ILE N N 114 119.971 119.971 114.184 5.787 18817 5506 1 10 . 1 1 114 114 ILE C C 114 177.039 177.039 177.226 -0.187 18817 5507 1 10 . 1 1 114 114 ILE CA C 114 63.324 63.324 62.258 1.065 18817 5508 1 10 . 1 1 114 114 ILE CB C 114 37.055 37.055 37.539 -0.484 18817 5509 1 10 . 1 1 114 114 ILE H H 114 8.041 8.041 7.242 0.799 18817 5510 1 10 . 1 1 115 115 GLY N N 115 108.864 108.864 109.005 -0.141 18817 5511 1 10 . 1 1 115 115 GLY C C 115 175.204 175.204 175.108 0.096 18817 5512 1 10 . 1 1 115 115 GLY CA C 115 45.868 45.868 45.999 -0.131 18817 5513 1 10 . 1 1 115 115 GLY H H 115 7.977 7.977 7.827 0.150 18817 5514 1 10 . 1 1 116 116 ALA N N 116 123.570 123.570 123.195 0.375 18817 5515 1 10 . 1 1 116 116 ALA HA H 116 4.254 4.254 4.269 -0.015 18817 5516 1 10 . 1 1 116 116 ALA C C 116 178.382 178.382 177.028 1.354 18817 5517 1 10 . 1 1 116 116 ALA CA C 116 52.974 52.974 52.391 0.583 18817 5518 1 10 . 1 1 116 116 ALA CB C 116 18.106 18.106 19.257 -1.151 18817 5519 1 10 . 1 1 116 116 ALA H H 116 7.818 7.818 7.395 0.423 18817 5520 1 10 . 1 1 117 117 ALA N N 117 120.751 120.751 120.766 -0.015 18817 5521 1 10 . 1 1 117 117 ALA C C 117 178.099 178.099 176.806 1.293 18817 5522 1 10 . 1 1 117 117 ALA CA C 117 52.818 52.818 52.729 0.089 18817 5523 1 10 . 1 1 117 117 ALA CB C 117 18.130 18.130 18.356 -0.226 18817 5524 1 10 . 1 1 117 117 ALA H H 117 7.766 7.766 8.249 -0.483 18817 5525 1 10 . 1 1 118 118 GLY N N 118 105.627 105.627 110.292 -4.665 18817 5526 1 10 . 1 1 118 118 GLY C C 118 174.144 174.144 173.738 0.406 18817 5527 1 10 . 1 1 118 118 GLY CA C 118 45.505 45.505 44.536 0.969 18817 5528 1 10 . 1 1 118 118 GLY H H 118 7.885 7.885 8.569 -0.684 18817 5529 1 10 . 1 1 119 119 PHE N N 119 119.825 119.825 118.376 1.449 18817 5530 1 10 . 1 1 119 119 PHE HA H 119 4.542 4.542 4.791 -0.249 18817 5531 1 10 . 1 1 119 119 PHE C C 119 175.543 175.543 175.194 0.349 18817 5532 1 10 . 1 1 119 119 PHE CA C 119 57.858 57.858 56.131 1.727 18817 5533 1 10 . 1 1 119 119 PHE CB C 119 38.866 38.866 39.389 -0.523 18817 5534 1 10 . 1 1 119 119 PHE H H 119 7.730 7.730 7.143 0.587 18817 5535 1 10 . 1 1 120 120 LYS N N 120 122.164 122.164 120.315 1.849 18817 5536 1 10 . 1 1 120 120 LYS C C 120 175.748 175.748 175.544 0.204 18817 5537 1 10 . 1 1 120 120 LYS CA C 120 55.644 55.644 57.054 -1.410 18817 5538 1 10 . 1 1 120 120 LYS CB C 120 32.442 32.442 32.000 0.442 18817 5539 1 10 . 1 1 120 120 LYS H H 120 7.897 7.897 8.480 -0.583 18817 5540 1 10 . 1 1 121 121 MET N N 121 119.305 119.305 118.865 0.440 18817 5541 1 10 . 1 1 121 121 MET HA H 121 4.481 4.481 4.379 0.102 18817 5542 1 10 . 1 1 121 121 MET C C 121 175.641 175.641 175.927 -0.286 18817 5543 1 10 . 1 1 121 121 MET CA C 121 54.851 54.851 55.401 -0.550 18817 5544 1 10 . 1 1 121 121 MET CB C 121 32.855 32.855 32.737 0.118 18817 5545 1 10 . 1 1 121 121 MET H H 121 7.937 7.937 7.381 0.556 18817 5546 1 10 . 1 1 122 122 SER N N 122 117.184 117.184 123.276 -6.092 18817 5547 1 10 . 1 1 122 122 SER C C 122 173.619 173.619 173.407 0.212 18817 5548 1 10 . 1 1 122 122 SER CA C 122 57.625 57.625 56.927 0.698 18817 5549 1 10 . 1 1 122 122 SER CB C 122 62.847 62.847 62.869 -0.022 18817 5550 1 10 . 1 1 122 122 SER H H 122 8.052 8.052 8.498 -0.446 18817 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 104 1.867 0.038 1.876 18817 2 1 1 "Average Difference" HA 10 0.312 -0.037 0.326 18817 3 1 1 "Average Difference" C 113 0.880 0.233 0.852 18817 4 1 1 "Average Difference" CA 114 1.141 0.657 0.937 18817 5 1 1 "Average Difference" CB 110 1.149 0.708 0.908 18817 6 1 1 "Average Difference" HN 104 0.468 -0.047 0.468 18817 7 1 2 "Average Difference" N 104 1.796 -0.108 1.801 18817 8 1 2 "Average Difference" HA 10 0.337 -0.147 0.320 18817 9 1 2 "Average Difference" C 113 0.806 0.189 0.787 18817 10 1 2 "Average Difference" CA 114 1.117 0.596 0.948 18817 11 1 2 "Average Difference" CB 110 1.090 0.615 0.904 18817 12 1 2 "Average Difference" HN 104 0.488 -0.138 0.471 18817 13 1 3 "Average Difference" N 104 2.008 -0.101 2.015 18817 14 1 3 "Average Difference" HA 10 0.308 -0.124 0.297 18817 15 1 3 "Average Difference" C 113 0.849 0.283 0.804 18817 16 1 3 "Average Difference" CA 114 1.262 0.734 1.031 18817 17 1 3 "Average Difference" CB 110 0.969 0.621 0.747 18817 18 1 3 "Average Difference" HN 104 0.438 -0.091 0.430 18817 19 1 4 "Average Difference" N 104 1.937 -0.212 1.934 18817 20 1 4 "Average Difference" HA 10 0.286 -0.133 0.267 18817 21 1 4 "Average Difference" C 113 0.839 0.204 0.817 18817 22 1 4 "Average Difference" CA 114 1.084 0.651 0.870 18817 23 1 4 "Average Difference" CB 110 1.096 0.622 0.907 18817 24 1 4 "Average Difference" HN 104 0.430 -0.167 0.398 18817 25 1 5 "Average Difference" N 104 1.835 -0.202 1.832 18817 26 1 5 "Average Difference" HA 10 0.252 -0.030 0.264 18817 27 1 5 "Average Difference" C 113 0.827 0.316 0.767 18817 28 1 5 "Average Difference" CA 114 1.247 0.672 1.055 18817 29 1 5 "Average Difference" CB 110 1.060 0.594 0.882 18817 30 1 5 "Average Difference" HN 104 0.490 -0.123 0.477 18817 31 1 6 "Average Difference" N 104 1.686 -0.196 1.682 18817 32 1 6 "Average Difference" HA 10 0.269 -0.033 0.281 18817 33 1 6 "Average Difference" C 113 0.814 0.249 0.778 18817 34 1 6 "Average Difference" CA 114 1.163 0.677 0.949 18817 35 1 6 "Average Difference" CB 110 1.165 0.692 0.941 18817 36 1 6 "Average Difference" HN 104 0.471 -0.104 0.462 18817 37 1 7 "Average Difference" N 104 1.986 -0.375 1.960 18817 38 1 7 "Average Difference" HA 10 0.256 -0.011 0.270 18817 39 1 7 "Average Difference" C 113 0.855 0.312 0.800 18817 40 1 7 "Average Difference" CA 114 1.254 0.672 1.063 18817 41 1 7 "Average Difference" CB 110 1.045 0.619 0.846 18817 42 1 7 "Average Difference" HN 104 0.498 -0.137 0.481 18817 43 1 8 "Average Difference" N 104 2.030 -0.070 2.039 18817 44 1 8 "Average Difference" HA 10 0.408 -0.163 0.395 18817 45 1 8 "Average Difference" C 113 0.835 0.214 0.810 18817 46 1 8 "Average Difference" CA 114 1.230 0.679 1.029 18817 47 1 8 "Average Difference" CB 110 1.004 0.605 0.805 18817 48 1 8 "Average Difference" HN 104 0.502 -0.145 0.483 18817 49 1 9 "Average Difference" N 104 1.816 0.142 1.820 18817 50 1 9 "Average Difference" HA 10 0.341 -0.043 0.357 18817 51 1 9 "Average Difference" C 113 0.886 0.291 0.841 18817 52 1 9 "Average Difference" CA 114 1.181 0.620 1.010 18817 53 1 9 "Average Difference" CB 110 1.033 0.597 0.847 18817 54 1 9 "Average Difference" HN 104 0.497 -0.138 0.479 18817 55 1 10 "Average Difference" N 104 1.794 -0.282 1.781 18817 56 1 10 "Average Difference" HA 10 0.386 -0.180 0.360 18817 57 1 10 "Average Difference" C 113 0.804 0.207 0.781 18817 58 1 10 "Average Difference" CA 114 1.159 0.637 0.972 18817 59 1 10 "Average Difference" CB 110 1.053 0.612 0.861 18817 60 1 10 "Average Difference" HN 104 0.487 -0.139 0.469 18817 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 18817 _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 SER C C 2 172.027 172.027 175.354 -3.327 18817 2 1 . 1 1 2 2 SER CA C 2 56.474 56.474 57.586 -1.112 18817 3 1 . 1 1 2 2 SER CB C 2 63.484 63.484 64.300 -0.816 18817 4 1 . 1 1 3 3 THR N N 3 119.004 119.004 118.918 0.086 18817 5 1 . 1 1 3 3 THR C C 3 175.867 175.867 175.978 -0.111 18817 6 1 . 1 1 3 3 THR CA C 3 65.068 65.068 64.772 0.296 18817 7 1 . 1 1 3 3 THR CB C 3 68.441 68.441 68.870 -0.429 18817 8 1 . 1 1 3 3 THR H H 3 8.964 8.964 8.654 0.310 18817 9 1 . 1 1 4 4 LEU N N 4 121.518 121.518 120.995 0.523 18817 10 1 . 1 1 4 4 LEU C C 4 178.886 178.886 178.602 0.284 18817 11 1 . 1 1 4 4 LEU CA C 4 57.246 57.246 57.773 -0.527 18817 12 1 . 1 1 4 4 LEU CB C 4 40.645 40.645 41.435 -0.790 18817 13 1 . 1 1 4 4 LEU H H 4 8.487 8.487 7.882 0.605 18817 14 1 . 1 1 5 5 SER N N 5 117.162 117.162 114.531 2.631 18817 15 1 . 1 1 5 5 SER C C 5 176.676 176.676 176.843 -0.167 18817 16 1 . 1 1 5 5 SER CA C 5 60.827 60.827 61.338 -0.511 18817 17 1 . 1 1 5 5 SER CB C 5 61.776 61.776 62.962 -1.186 18817 18 1 . 1 1 5 5 SER H H 5 8.289 8.289 8.064 0.225 18817 19 1 . 1 1 6 6 ASN N N 6 122.387 122.387 120.787 1.600 18817 20 1 . 1 1 6 6 ASN HA H 6 4.230 4.230 4.568 -0.338 18817 21 1 . 1 1 6 6 ASN C C 6 177.833 177.833 177.672 0.161 18817 22 1 . 1 1 6 6 ASN CA C 6 55.400 55.400 56.061 -0.660 18817 23 1 . 1 1 6 6 ASN CB C 6 37.348 37.348 38.408 -1.060 18817 24 1 . 1 1 6 6 ASN H H 6 8.160 8.160 7.703 0.457 18817 25 1 . 1 1 7 7 PHE N N 7 121.724 121.724 120.171 1.553 18817 26 1 . 1 1 7 7 PHE C C 7 177.171 177.171 177.323 -0.152 18817 27 1 . 1 1 7 7 PHE CA C 7 60.731 60.731 60.650 0.081 18817 28 1 . 1 1 7 7 PHE CB C 7 38.693 38.693 38.904 -0.211 18817 29 1 . 1 1 7 7 PHE H H 7 8.254 8.254 8.356 -0.102 18817 30 1 . 1 1 8 8 THR N N 8 113.736 113.736 115.382 -1.646 18817 31 1 . 1 1 8 8 THR HA H 8 4.278 4.278 3.766 0.512 18817 32 1 . 1 1 8 8 THR C C 8 176.016 176.016 176.571 -0.555 18817 33 1 . 1 1 8 8 THR CA C 8 66.400 66.400 66.619 -0.219 18817 34 1 . 1 1 8 8 THR CB C 8 67.084 67.084 68.356 -1.272 18817 35 1 . 1 1 8 8 THR H H 8 8.399 8.399 7.928 0.471 18817 36 1 . 1 1 9 9 GLN N N 9 121.349 121.349 120.192 1.157 18817 37 1 . 1 1 9 9 GLN C C 9 178.464 178.464 178.156 0.308 18817 38 1 . 1 1 9 9 GLN CA C 9 58.448 58.448 59.221 -0.774 18817 39 1 . 1 1 9 9 GLN CB C 9 27.564 27.564 28.408 -0.844 18817 40 1 . 1 1 9 9 GLN H H 9 7.942 7.942 7.812 0.130 18817 41 1 . 1 1 10 10 THR N N 10 117.451 117.451 116.237 1.214 18817 42 1 . 1 1 10 10 THR HA H 10 4.278 4.278 4.038 0.240 18817 43 1 . 1 1 10 10 THR C C 10 176.380 176.380 176.475 -0.095 18817 44 1 . 1 1 10 10 THR CA C 10 66.353 66.353 65.982 0.370 18817 45 1 . 1 1 10 10 THR CB C 10 67.910 67.910 68.414 -0.504 18817 46 1 . 1 1 10 10 THR H H 10 7.767 7.767 7.603 0.165 18817 47 1 . 1 1 11 11 LEU N N 11 121.448 121.448 122.030 -0.582 18817 48 1 . 1 1 11 11 LEU C C 11 178.255 178.255 178.498 -0.243 18817 49 1 . 1 1 11 11 LEU CA C 11 57.614 57.614 58.225 -0.611 18817 50 1 . 1 1 11 11 LEU CB C 11 40.574 40.574 41.314 -0.739 18817 51 1 . 1 1 11 11 LEU H H 11 7.958 7.958 7.789 0.169 18817 52 1 . 1 1 12 12 GLU N N 12 117.911 117.911 119.092 -1.181 18817 53 1 . 1 1 12 12 GLU C C 12 177.809 177.809 178.884 -1.075 18817 54 1 . 1 1 12 12 GLU CA C 12 59.675 59.675 59.906 -0.231 18817 55 1 . 1 1 12 12 GLU CB C 12 27.358 27.358 29.125 -1.767 18817 56 1 . 1 1 12 12 GLU H H 12 8.206 8.206 8.011 0.195 18817 57 1 . 1 1 13 13 ASP C C 13 178.880 178.880 178.834 0.046 18817 58 1 . 1 1 13 13 ASP CA C 13 58.468 58.468 57.404 1.064 18817 59 1 . 1 1 13 13 ASP CB C 13 40.613 40.613 40.592 0.021 18817 60 1 . 1 1 14 14 VAL N N 14 118.703 118.703 119.967 -1.264 18817 61 1 . 1 1 14 14 VAL C C 14 177.885 177.885 177.946 -0.061 18817 62 1 . 1 1 14 14 VAL CA C 14 66.212 66.212 66.128 0.084 18817 63 1 . 1 1 14 14 VAL CB C 14 30.614 30.614 31.757 -1.143 18817 64 1 . 1 1 14 14 VAL H H 14 8.943 8.943 7.577 1.366 18817 65 1 . 1 1 15 15 PHE N N 15 118.897 118.897 120.317 -1.421 18817 66 1 . 1 1 15 15 PHE C C 15 177.542 177.542 177.683 -0.141 18817 67 1 . 1 1 15 15 PHE CA C 15 61.165 61.165 61.709 -0.544 18817 68 1 . 1 1 15 15 PHE CB C 15 37.723 37.723 38.930 -1.207 18817 69 1 . 1 1 15 15 PHE H H 15 8.379 8.379 8.756 -0.377 18817 70 1 . 1 1 16 16 ARG N N 16 119.285 119.285 119.528 -0.244 18817 71 1 . 1 1 16 16 ARG C C 16 177.852 177.852 178.511 -0.660 18817 72 1 . 1 1 16 16 ARG CA C 16 59.972 59.972 59.765 0.207 18817 73 1 . 1 1 16 16 ARG CB C 16 29.491 29.491 30.029 -0.538 18817 74 1 . 1 1 16 16 ARG H H 16 8.455 8.455 8.665 -0.210 18817 75 1 . 1 1 17 17 ARG N N 17 117.721 117.721 119.649 -1.928 18817 76 1 . 1 1 17 17 ARG C C 17 179.606 179.606 178.876 0.730 18817 77 1 . 1 1 17 17 ARG CA C 17 58.965 58.965 59.204 -0.239 18817 78 1 . 1 1 17 17 ARG CB C 17 29.220 29.220 30.105 -0.885 18817 79 1 . 1 1 17 17 ARG H H 17 7.816 7.816 7.747 0.069 18817 80 1 . 1 1 18 18 ILE N N 18 121.097 121.097 120.640 0.457 18817 81 1 . 1 1 18 18 ILE C C 18 177.115 177.115 178.110 -0.995 18817 82 1 . 1 1 18 18 ILE CA C 18 64.570 64.570 65.174 -0.604 18817 83 1 . 1 1 18 18 ILE CB C 18 37.150 37.150 37.753 -0.603 18817 84 1 . 1 1 18 18 ILE H H 18 8.180 8.180 8.413 -0.233 18817 85 1 . 1 1 19 19 PHE N N 19 120.545 120.545 121.063 -0.518 18817 86 1 . 1 1 19 19 PHE C C 19 177.154 177.154 177.409 -0.255 18817 87 1 . 1 1 19 19 PHE CA C 19 61.665 61.665 62.531 -0.866 18817 88 1 . 1 1 19 19 PHE CB C 19 38.609 38.609 39.253 -0.644 18817 89 1 . 1 1 19 19 PHE H H 19 8.407 8.407 7.999 0.408 18817 90 1 . 1 1 20 20 ILE N N 20 118.206 118.206 118.926 -0.720 18817 91 1 . 1 1 20 20 ILE C C 20 177.915 177.915 178.268 -0.353 18817 92 1 . 1 1 20 20 ILE CA C 20 63.965 63.965 64.828 -0.863 18817 93 1 . 1 1 20 20 ILE CB C 20 36.828 36.828 37.312 -0.484 18817 94 1 . 1 1 20 20 ILE H H 20 8.350 8.350 8.108 0.242 18817 95 1 . 1 1 21 21 THR N N 21 116.423 116.423 116.158 0.265 18817 96 1 . 1 1 21 21 THR C C 21 176.419 176.419 176.335 0.084 18817 97 1 . 1 1 21 21 THR CA C 21 66.069 66.069 66.559 -0.490 18817 98 1 . 1 1 21 21 THR CB C 21 68.168 68.168 68.880 -0.712 18817 99 1 . 1 1 21 21 THR H H 21 7.692 7.692 8.483 -0.791 18817 100 1 . 1 1 22 22 TYR N N 22 121.108 121.108 123.792 -2.684 18817 101 1 . 1 1 22 22 TYR C C 22 177.398 177.398 177.330 0.068 18817 102 1 . 1 1 22 22 TYR CA C 22 60.953 60.953 61.110 -0.157 18817 103 1 . 1 1 22 22 TYR CB C 22 37.643 37.643 38.078 -0.435 18817 104 1 . 1 1 22 22 TYR H H 22 8.028 8.028 8.475 -0.447 18817 105 1 . 1 1 23 23 MET N N 23 118.337 118.337 116.694 1.643 18817 106 1 . 1 1 23 23 MET C C 23 178.156 178.156 178.135 0.021 18817 107 1 . 1 1 23 23 MET CA C 23 57.078 57.078 58.065 -0.987 18817 108 1 . 1 1 23 23 MET CB C 23 30.583 30.583 31.774 -1.191 18817 109 1 . 1 1 23 23 MET H H 23 8.135 8.135 8.462 -0.327 18817 110 1 . 1 1 24 24 ASP N N 24 118.883 118.883 120.100 -1.217 18817 111 1 . 1 1 24 24 ASP C C 24 177.682 177.682 178.376 -0.694 18817 112 1 . 1 1 24 24 ASP CA C 24 56.222 56.222 57.234 -1.012 18817 113 1 . 1 1 24 24 ASP CB C 24 39.820 39.820 40.821 -1.001 18817 114 1 . 1 1 24 24 ASP H H 24 8.208 8.208 7.810 0.398 18817 115 1 . 1 1 25 25 ASN N N 25 116.989 116.989 118.705 -1.716 18817 116 1 . 1 1 25 25 ASN C C 25 176.452 176.452 177.445 -0.993 18817 117 1 . 1 1 25 25 ASN CA C 25 54.859 54.859 55.858 -0.999 18817 118 1 . 1 1 25 25 ASN CB C 25 38.679 38.679 38.388 0.291 18817 119 1 . 1 1 25 25 ASN H H 25 7.746 7.746 7.972 -0.226 18817 120 1 . 1 1 26 26 TRP N N 26 120.811 120.811 121.499 -0.688 18817 121 1 . 1 1 26 26 TRP C C 26 177.694 177.694 177.760 -0.066 18817 122 1 . 1 1 26 26 TRP CA C 26 58.922 58.922 61.022 -2.100 18817 123 1 . 1 1 26 26 TRP CB C 26 28.772 28.772 29.242 -0.470 18817 124 1 . 1 1 26 26 TRP H H 26 7.951 7.951 7.609 0.342 18817 125 1 . 1 1 27 27 ARG N N 27 119.926 119.926 118.520 1.406 18817 126 1 . 1 1 27 27 ARG C C 27 177.355 177.355 178.610 -1.255 18817 127 1 . 1 1 27 27 ARG CA C 27 57.844 57.844 58.901 -1.057 18817 128 1 . 1 1 27 27 ARG CB C 27 29.249 29.249 29.840 -0.591 18817 129 1 . 1 1 27 27 ARG H H 27 7.971 7.971 7.667 0.303 18817 130 1 . 1 1 28 28 GLN N N 28 118.022 118.022 117.895 0.127 18817 131 1 . 1 1 28 28 GLN C C 28 176.547 176.547 177.658 -1.111 18817 132 1 . 1 1 28 28 GLN CA C 28 56.751 56.751 58.339 -1.588 18817 133 1 . 1 1 28 28 GLN CB C 28 28.167 28.167 28.527 -0.360 18817 134 1 . 1 1 28 28 GLN H H 28 7.868 7.868 7.792 0.076 18817 135 1 . 1 1 29 29 ASN N N 29 118.257 118.257 117.736 0.521 18817 136 1 . 1 1 29 29 ASN C C 29 175.576 175.576 176.816 -1.240 18817 137 1 . 1 1 29 29 ASN CA C 29 53.311 53.311 55.360 -2.049 18817 138 1 . 1 1 29 29 ASN CB C 29 38.530 38.530 38.338 0.192 18817 139 1 . 1 1 29 29 ASN H H 29 7.915 7.915 7.958 -0.043 18817 140 1 . 1 1 30 30 THR N N 30 113.464 113.464 115.279 -1.815 18817 141 1 . 1 1 30 30 THR HA H 30 4.348 4.348 3.911 0.437 18817 142 1 . 1 1 30 30 THR C C 30 175.453 175.453 176.266 -0.813 18817 143 1 . 1 1 30 30 THR CA C 30 62.528 62.528 66.138 -3.610 18817 144 1 . 1 1 30 30 THR CB C 30 69.103 69.103 68.510 0.593 18817 145 1 . 1 1 30 30 THR H H 30 7.840 7.840 7.571 0.269 18817 146 1 . 1 1 31 31 THR N N 31 116.868 116.868 116.268 0.600 18817 147 1 . 1 1 31 31 THR C C 31 175.450 175.450 175.916 -0.466 18817 148 1 . 1 1 31 31 THR CA C 31 63.705 63.705 65.939 -2.234 18817 149 1 . 1 1 31 31 THR CB C 31 69.132 69.132 68.298 0.834 18817 150 1 . 1 1 31 31 THR H H 31 7.955 7.955 7.625 0.331 18817 151 1 . 1 1 32 32 ALA N N 32 124.803 124.803 123.711 1.092 18817 152 1 . 1 1 32 32 ALA C C 32 179.686 179.686 179.500 0.186 18817 153 1 . 1 1 32 32 ALA CA C 32 53.748 53.748 54.878 -1.130 18817 154 1 . 1 1 32 32 ALA CB C 32 17.669 17.669 17.965 -0.296 18817 155 1 . 1 1 32 32 ALA H H 32 8.226 8.226 7.678 0.548 18817 156 1 . 1 1 33 33 GLU N N 33 118.847 118.847 118.301 0.547 18817 157 1 . 1 1 33 33 GLU C C 33 177.525 177.525 178.916 -1.391 18817 158 1 . 1 1 33 33 GLU CA C 33 58.026 58.026 59.409 -1.383 18817 159 1 . 1 1 33 33 GLU CB C 33 27.793 27.793 29.325 -1.532 18817 160 1 . 1 1 33 33 GLU H H 33 8.153 8.153 7.780 0.373 18817 161 1 . 1 1 34 34 GLN N N 34 119.840 119.840 118.503 1.337 18817 162 1 . 1 1 34 34 GLN C C 34 177.628 177.628 178.402 -0.774 18817 163 1 . 1 1 34 34 GLN CA C 34 57.976 57.976 58.845 -0.869 18817 164 1 . 1 1 34 34 GLN CB C 34 27.786 27.786 28.513 -0.727 18817 165 1 . 1 1 34 34 GLN H H 34 8.109 8.109 7.652 0.457 18817 166 1 . 1 1 35 35 GLU N N 35 119.894 119.894 119.517 0.377 18817 167 1 . 1 1 35 35 GLU C C 35 178.149 178.149 178.521 -0.372 18817 168 1 . 1 1 35 35 GLU CA C 35 58.160 58.160 59.097 -0.937 18817 169 1 . 1 1 35 35 GLU CB C 35 28.337 28.337 29.385 -1.048 18817 170 1 . 1 1 35 35 GLU H H 35 8.170 8.170 8.090 0.080 18817 171 1 . 1 1 36 36 ALA N N 36 123.045 123.045 121.934 1.111 18817 172 1 . 1 1 36 36 ALA C C 36 179.303 179.303 179.698 -0.395 18817 173 1 . 1 1 36 36 ALA CA C 36 53.615 53.615 54.776 -1.161 18817 174 1 . 1 1 36 36 ALA CB C 36 17.788 17.788 18.274 -0.486 18817 175 1 . 1 1 36 36 ALA H H 36 7.884 7.884 7.771 0.113 18817 176 1 . 1 1 37 37 LEU N N 37 119.469 119.469 118.987 0.482 18817 177 1 . 1 1 37 37 LEU C C 37 178.226 178.226 179.051 -0.825 18817 178 1 . 1 1 37 37 LEU CA C 37 56.671 56.671 57.896 -1.225 18817 179 1 . 1 1 37 37 LEU CB C 37 40.965 40.965 41.906 -0.941 18817 180 1 . 1 1 37 37 LEU H H 37 7.907 7.907 7.832 0.075 18817 181 1 . 1 1 38 38 GLN N N 38 118.655 118.655 118.006 0.648 18817 182 1 . 1 1 38 38 GLN C C 38 176.775 176.775 177.929 -1.154 18817 183 1 . 1 1 38 38 GLN CA C 38 57.420 57.420 58.460 -1.040 18817 184 1 . 1 1 38 38 GLN CB C 38 28.042 28.042 28.223 -0.181 18817 185 1 . 1 1 38 38 GLN H H 38 8.097 8.097 7.975 0.122 18817 186 1 . 1 1 39 39 ALA N N 39 121.284 121.284 121.806 -0.522 18817 187 1 . 1 1 39 39 ALA C C 39 178.516 178.516 178.600 -0.084 18817 188 1 . 1 1 39 39 ALA CA C 39 53.221 53.221 54.425 -1.204 18817 189 1 . 1 1 39 39 ALA CB C 39 18.032 18.032 18.556 -0.524 18817 190 1 . 1 1 39 39 ALA H H 39 7.724 7.724 7.864 -0.140 18817 191 1 . 1 1 40 40 LYS N N 40 118.343 118.343 116.801 1.542 18817 192 1 . 1 1 40 40 LYS C C 40 176.835 176.835 177.359 -0.524 18817 193 1 . 1 1 40 40 LYS CA C 40 56.436 56.436 56.914 -0.478 18817 194 1 . 1 1 40 40 LYS CB C 40 32.005 32.005 33.034 -1.029 18817 195 1 . 1 1 40 40 LYS H H 40 7.702 7.702 7.660 0.042 18817 196 1 . 1 1 41 41 VAL N N 41 118.825 118.825 119.854 -1.029 18817 197 1 . 1 1 41 41 VAL C C 41 175.383 175.383 174.958 0.425 18817 198 1 . 1 1 41 41 VAL CA C 41 62.305 62.305 62.927 -0.622 18817 199 1 . 1 1 41 41 VAL CB C 41 31.695 31.695 31.909 -0.214 18817 200 1 . 1 1 41 41 VAL H H 41 7.723 7.723 7.706 0.017 18817 201 1 . 1 1 42 42 ASP N N 42 122.980 122.980 119.631 3.349 18817 202 1 . 1 1 42 42 ASP HA H 42 4.323 4.323 4.464 -0.141 18817 203 1 . 1 1 42 42 ASP C C 42 176.128 176.128 176.214 -0.086 18817 204 1 . 1 1 42 42 ASP CA C 42 53.641 53.641 54.805 -1.164 18817 205 1 . 1 1 42 42 ASP CB C 42 40.281 40.281 40.021 0.260 18817 206 1 . 1 1 42 42 ASP H H 42 8.229 8.229 8.208 0.021 18817 207 1 . 1 1 43 43 ALA N N 43 123.146 123.146 123.577 -0.431 18817 208 1 . 1 1 43 43 ALA C C 43 178.308 178.308 178.620 -0.312 18817 209 1 . 1 1 43 43 ALA CA C 43 53.366 53.366 54.155 -0.789 18817 210 1 . 1 1 43 43 ALA CB C 43 18.215 18.215 18.852 -0.637 18817 211 1 . 1 1 43 43 ALA H H 43 8.095 8.095 8.181 -0.086 18817 212 1 . 1 1 44 44 GLU N N 44 117.625 117.625 118.018 -0.393 18817 213 1 . 1 1 44 44 GLU C C 44 176.974 176.974 176.936 0.038 18817 214 1 . 1 1 44 44 GLU CA C 44 57.011 57.011 57.705 -0.694 18817 215 1 . 1 1 44 44 GLU CB C 44 28.434 28.434 29.771 -1.337 18817 216 1 . 1 1 44 44 GLU H H 44 8.173 8.173 8.300 -0.127 18817 217 1 . 1 1 45 45 ASN N N 45 117.214 117.214 115.359 1.855 18817 218 1 . 1 1 45 45 ASN C C 45 176.652 176.652 176.041 0.611 18817 219 1 . 1 1 45 45 ASN CA C 45 53.544 53.544 54.331 -0.786 18817 220 1 . 1 1 45 45 ASN CB C 45 38.334 38.334 37.143 1.191 18817 221 1 . 1 1 45 45 ASN H H 45 8.059 8.059 8.271 -0.212 18817 222 1 . 1 1 46 46 PHE N N 46 120.987 120.987 119.519 1.468 18817 223 1 . 1 1 46 46 PHE C C 46 176.975 176.975 177.073 -0.098 18817 224 1 . 1 1 46 46 PHE CA C 46 60.113 60.113 61.030 -0.917 18817 225 1 . 1 1 46 46 PHE CB C 46 38.290 38.290 38.794 -0.504 18817 226 1 . 1 1 46 46 PHE H H 46 8.163 8.163 8.176 -0.013 18817 227 1 . 1 1 47 47 TYR N N 47 116.519 116.519 118.049 -1.530 18817 228 1 . 1 1 47 47 TYR C C 47 176.063 176.063 177.427 -1.364 18817 229 1 . 1 1 47 47 TYR CA C 47 60.569 60.569 61.327 -0.758 18817 230 1 . 1 1 47 47 TYR CB C 47 36.886 36.886 37.804 -0.918 18817 231 1 . 1 1 47 47 TYR H H 47 7.417 7.417 7.937 -0.520 18817 232 1 . 1 1 48 48 TYR N N 48 116.519 116.519 119.332 -2.813 18817 233 1 . 1 1 48 48 TYR C C 48 177.063 177.063 177.551 -0.488 18817 234 1 . 1 1 48 48 TYR CA C 48 60.569 60.569 61.884 -1.315 18817 235 1 . 1 1 48 48 TYR CB C 48 36.886 36.886 38.263 -1.377 18817 236 1 . 1 1 48 48 TYR H H 48 7.417 7.417 8.012 -0.595 18817 237 1 . 1 1 49 49 VAL N N 49 118.292 118.292 119.124 -0.832 18817 238 1 . 1 1 49 49 VAL C C 49 177.154 177.154 177.797 -0.643 18817 239 1 . 1 1 49 49 VAL CA C 49 66.194 66.194 66.410 -0.216 18817 240 1 . 1 1 49 49 VAL CB C 49 30.389 30.389 31.366 -0.977 18817 241 1 . 1 1 49 49 VAL H H 49 7.439 7.439 7.618 -0.179 18817 242 1 . 1 1 50 50 ILE N N 50 117.581 117.581 119.601 -2.020 18817 243 1 . 1 1 50 50 ILE C C 50 177.307 177.307 177.867 -0.560 18817 244 1 . 1 1 50 50 ILE CA C 50 63.876 63.876 64.928 -1.052 18817 245 1 . 1 1 50 50 ILE CB C 50 35.725 35.725 37.456 -1.731 18817 246 1 . 1 1 50 50 ILE H H 50 7.491 7.491 7.505 -0.014 18817 247 1 . 1 1 51 51 LEU N N 51 120.363 120.363 121.035 -0.672 18817 248 1 . 1 1 51 51 LEU C C 51 178.335 178.335 178.323 0.012 18817 249 1 . 1 1 51 51 LEU CA C 51 58.042 58.042 58.091 -0.049 18817 250 1 . 1 1 51 51 LEU CB C 51 40.550 40.550 41.616 -1.066 18817 251 1 . 1 1 51 51 LEU H H 51 7.699 7.699 7.595 0.104 18817 252 1 . 1 1 53 53 LEU C C 53 178.638 178.638 178.440 0.198 18817 253 1 . 1 1 53 53 LEU CA C 53 57.795 57.795 57.974 -0.179 18817 254 1 . 1 1 53 53 LEU CB C 53 40.796 40.796 41.996 -1.200 18817 255 1 . 1 1 54 54 MET N N 54 117.957 117.957 118.412 -0.455 18817 256 1 . 1 1 54 54 MET C C 54 178.471 178.471 178.217 0.254 18817 257 1 . 1 1 54 54 MET CA C 54 58.432 58.432 58.731 -0.299 18817 258 1 . 1 1 54 54 MET CB C 54 31.395 31.395 32.168 -0.773 18817 259 1 . 1 1 54 54 MET H H 54 8.396 8.396 7.821 0.575 18817 260 1 . 1 1 56 56 MET C C 56 177.895 177.895 178.405 -0.510 18817 261 1 . 1 1 56 56 MET CA C 56 58.793 58.793 59.306 -0.513 18817 262 1 . 1 1 57 57 ILE N N 57 119.111 119.111 118.085 1.026 18817 263 1 . 1 1 57 57 ILE C C 57 179.504 179.504 178.104 1.400 18817 264 1 . 1 1 57 57 ILE CA C 57 64.890 64.890 64.513 0.377 18817 265 1 . 1 1 57 57 ILE CB C 57 36.497 36.497 37.098 -0.601 18817 266 1 . 1 1 57 57 ILE H H 57 8.556 8.556 7.947 0.609 18817 267 1 . 1 1 58 58 GLY N N 58 111.097 111.097 107.918 3.179 18817 268 1 . 1 1 58 58 GLY C C 58 174.211 174.211 176.329 -2.118 18817 269 1 . 1 1 58 58 GLY CA C 58 47.038 47.038 47.245 -0.208 18817 270 1 . 1 1 58 58 GLY H H 58 8.745 8.745 7.934 0.811 18817 271 1 . 1 1 59 59 MET N N 59 120.903 120.903 121.511 -0.608 18817 272 1 . 1 1 59 59 MET C C 59 178.075 178.075 178.115 -0.040 18817 273 1 . 1 1 59 59 MET CA C 59 58.763 58.763 58.064 0.699 18817 274 1 . 1 1 59 59 MET CB C 59 32.415 32.415 32.265 0.150 18817 275 1 . 1 1 59 59 MET H H 59 8.612 8.612 8.110 0.502 18817 276 1 . 1 1 60 60 PHE N N 60 117.888 117.888 119.816 -1.928 18817 277 1 . 1 1 60 60 PHE C C 60 177.292 177.292 177.380 -0.088 18817 278 1 . 1 1 60 60 PHE CA C 60 60.486 60.486 61.730 -1.244 18817 279 1 . 1 1 60 60 PHE CB C 60 38.213 38.213 38.897 -0.684 18817 280 1 . 1 1 60 60 PHE H H 60 8.495 8.495 8.295 0.200 18817 281 1 . 1 1 61 61 SER N N 61 115.530 115.530 115.591 -0.061 18817 282 1 . 1 1 61 61 SER C C 61 175.141 175.141 176.631 -1.490 18817 283 1 . 1 1 61 61 SER CA C 61 63.198 63.198 61.641 1.557 18817 284 1 . 1 1 61 61 SER CB C 61 62.050 62.050 62.858 -0.808 18817 285 1 . 1 1 61 61 SER H H 61 8.338 8.338 8.385 -0.047 18817 286 1 . 1 1 62 62 PHE N N 62 121.237 121.237 122.618 -1.381 18817 287 1 . 1 1 62 62 PHE C C 62 176.761 176.761 177.127 -0.366 18817 288 1 . 1 1 62 62 PHE CA C 62 60.791 60.791 61.450 -0.659 18817 289 1 . 1 1 62 62 PHE CB C 62 38.124 38.124 39.161 -1.037 18817 290 1 . 1 1 62 62 PHE H H 62 8.077 8.077 7.840 0.237 18817 291 1 . 1 1 64 64 ILE N N 64 118.608 118.608 119.246 -0.638 18817 292 1 . 1 1 64 64 ILE C C 64 177.805 177.805 178.001 -0.196 18817 293 1 . 1 1 64 64 ILE CA C 64 64.465 64.465 65.114 -0.649 18817 294 1 . 1 1 64 64 ILE CB C 64 35.984 35.984 37.403 -1.419 18817 295 1 . 1 1 64 64 ILE H H 64 7.956 7.956 7.512 0.444 18817 296 1 . 1 1 65 65 VAL N N 65 119.395 119.395 119.834 -0.439 18817 297 1 . 1 1 65 65 VAL C C 65 177.045 177.045 177.332 -0.287 18817 298 1 . 1 1 65 65 VAL CA C 65 66.773 66.773 66.254 0.519 18817 299 1 . 1 1 65 65 VAL CB C 65 30.099 30.099 31.240 -1.140 18817 300 1 . 1 1 65 65 VAL H H 65 8.137 8.137 7.683 0.455 18817 301 1 . 1 1 67 67 ILE C C 67 179.153 179.153 177.824 1.329 18817 302 1 . 1 1 67 67 ILE CA C 67 64.933 64.933 64.416 0.517 18817 303 1 . 1 1 67 67 ILE CB C 67 36.977 36.977 37.627 -0.650 18817 304 1 . 1 1 68 68 LEU N N 68 123.998 123.998 121.402 2.596 18817 305 1 . 1 1 68 68 LEU HA H 68 4.301 4.301 4.029 0.272 18817 306 1 . 1 1 68 68 LEU CA C 68 58.529 58.529 58.437 0.092 18817 307 1 . 1 1 68 68 LEU CB C 68 40.768 40.768 41.711 -0.943 18817 308 1 . 1 1 68 68 LEU H H 68 8.540 8.540 7.638 0.902 18817 309 1 . 1 1 69 69 VAL N N 69 120.584 120.584 117.480 3.104 18817 310 1 . 1 1 69 69 VAL C C 69 177.859 177.859 177.992 -0.133 18817 311 1 . 1 1 69 69 VAL CA C 69 65.949 65.949 67.067 -1.118 18817 312 1 . 1 1 69 69 VAL CB C 69 30.847 30.847 31.119 -0.272 18817 313 1 . 1 1 69 69 VAL H H 69 8.173 8.173 8.091 0.082 18817 314 1 . 1 1 70 70 SER N N 70 114.121 114.121 115.842 -1.721 18817 315 1 . 1 1 70 70 SER CA C 70 61.630 61.630 62.068 -0.438 18817 316 1 . 1 1 70 70 SER CB C 70 62.527 62.527 62.895 -0.368 18817 317 1 . 1 1 70 70 SER H H 70 7.898 7.898 7.935 -0.037 18817 318 1 . 1 1 71 71 THR HA H 71 4.300 4.300 4.058 0.242 18817 319 1 . 1 1 71 71 THR C C 71 176.381 176.381 176.695 -0.314 18817 320 1 . 1 1 71 71 THR CA C 71 65.981 65.981 65.958 0.023 18817 321 1 . 1 1 71 71 THR CB C 71 68.416 68.416 68.498 -0.082 18817 322 1 . 1 1 72 72 VAL N N 72 121.958 121.958 121.845 0.113 18817 323 1 . 1 1 72 72 VAL C C 72 177.791 177.791 177.737 0.054 18817 324 1 . 1 1 72 72 VAL CA C 72 65.532 65.532 66.266 -0.734 18817 325 1 . 1 1 72 72 VAL CB C 72 30.882 30.882 31.549 -0.667 18817 326 1 . 1 1 72 72 VAL H H 72 8.092 8.092 8.153 -0.061 18817 327 1 . 1 1 73 73 LYS C C 73 178.310 178.310 179.111 -0.801 18817 328 1 . 1 1 73 73 LYS CA C 73 58.279 58.279 59.218 -0.939 18817 329 1 . 1 1 73 73 LYS CB C 73 31.350 31.350 32.113 -0.763 18817 330 1 . 1 1 74 74 SER N N 74 114.589 114.589 115.195 -0.606 18817 331 1 . 1 1 74 74 SER C C 74 175.895 175.895 176.087 -0.192 18817 332 1 . 1 1 74 74 SER CA C 74 59.979 59.979 61.286 -1.307 18817 333 1 . 1 1 74 74 SER CB C 74 62.823 62.823 62.828 -0.005 18817 334 1 . 1 1 74 74 SER H H 74 7.816 7.816 8.365 -0.549 18817 335 1 . 1 1 75 75 LYS N N 75 121.984 121.984 121.283 0.701 18817 336 1 . 1 1 75 75 LYS C C 75 177.649 177.649 178.258 -0.609 18817 337 1 . 1 1 75 75 LYS CA C 75 56.892 56.892 58.267 -1.375 18817 338 1 . 1 1 75 75 LYS CB C 75 31.263 31.263 32.308 -1.045 18817 339 1 . 1 1 75 75 LYS H H 75 7.964 7.964 7.501 0.463 18817 340 1 . 1 1 76 76 ARG N N 76 119.656 119.656 117.845 1.811 18817 341 1 . 1 1 76 76 ARG C C 76 177.010 177.010 176.958 0.052 18817 342 1 . 1 1 76 76 ARG CA C 76 56.671 56.671 57.598 -0.927 18817 343 1 . 1 1 76 76 ARG CB C 76 29.471 29.471 30.408 -0.937 18817 344 1 . 1 1 76 76 ARG H H 76 7.909 7.909 7.735 0.174 18817 345 1 . 1 1 77 77 ARG N N 77 120.815 120.815 117.839 2.976 18817 346 1 . 1 1 77 77 ARG C C 77 176.633 176.633 175.750 0.883 18817 347 1 . 1 1 77 77 ARG CA C 77 56.355 56.355 56.591 -0.236 18817 348 1 . 1 1 77 77 ARG CB C 77 29.718 29.718 29.709 0.009 18817 349 1 . 1 1 77 77 ARG H H 77 7.860 7.860 7.663 0.197 18817 350 1 . 1 1 78 78 GLU N N 78 120.635 120.635 119.548 1.087 18817 351 1 . 1 1 78 78 GLU C C 78 176.320 176.320 175.841 0.479 18817 352 1 . 1 1 78 78 GLU CA C 78 56.368 56.368 55.920 0.448 18817 353 1 . 1 1 78 78 GLU CB C 78 29.083 29.083 30.917 -1.834 18817 354 1 . 1 1 78 78 GLU H H 78 8.119 8.119 8.162 -0.043 18817 355 1 . 1 1 79 79 HIS N N 79 117.659 117.659 119.511 -1.852 18817 356 1 . 1 1 79 79 HIS C C 79 174.583 174.583 174.913 -0.330 18817 357 1 . 1 1 79 79 HIS CA C 79 54.918 54.918 56.489 -1.571 18817 358 1 . 1 1 79 79 HIS CB C 79 28.249 28.249 29.668 -1.419 18817 359 1 . 1 1 79 79 HIS H H 79 8.042 8.042 8.375 -0.333 18817 360 1 . 1 1 80 80 SER N N 80 116.920 116.920 115.991 0.929 18817 361 1 . 1 1 80 80 SER C C 80 174.323 174.323 173.903 0.420 18817 362 1 . 1 1 80 80 SER CA C 80 58.377 58.377 58.006 0.371 18817 363 1 . 1 1 80 80 SER CB C 80 63.113 63.113 64.475 -1.363 18817 364 1 . 1 1 80 80 SER H H 80 8.151 8.151 8.351 -0.200 18817 365 1 . 1 1 81 81 ASN N N 81 120.963 120.963 119.635 1.328 18817 366 1 . 1 1 81 81 ASN C C 81 174.436 174.436 174.031 0.405 18817 367 1 . 1 1 81 81 ASN CA C 81 52.945 52.945 53.526 -0.580 18817 368 1 . 1 1 81 81 ASN CB C 81 38.324 38.324 38.858 -0.534 18817 369 1 . 1 1 81 81 ASN H H 81 8.411 8.411 8.497 -0.086 18817 370 1 . 1 1 83 83 PRO C C 83 176.072 176.072 175.689 0.383 18817 371 1 . 1 1 83 83 PRO CA C 83 62.420 62.420 62.719 -0.299 18817 372 1 . 1 1 83 83 PRO CB C 83 33.212 33.212 32.125 1.087 18817 373 1 . 1 1 84 84 TYR N N 84 124.146 124.146 120.898 3.248 18817 374 1 . 1 1 84 84 TYR C C 84 176.670 176.670 175.721 0.949 18817 375 1 . 1 1 84 84 TYR CA C 84 55.352 55.352 57.310 -1.958 18817 376 1 . 1 1 84 84 TYR CB C 84 40.958 40.958 39.241 1.717 18817 377 1 . 1 1 84 84 TYR H H 84 8.487 8.487 7.991 0.496 18817 378 1 . 1 1 86 86 GLN C C 86 177.884 177.884 177.193 0.691 18817 379 1 . 1 1 86 86 GLN CA C 86 59.593 59.593 58.388 1.205 18817 380 1 . 1 1 86 86 GLN CB C 86 27.335 27.335 28.589 -1.254 18817 381 1 . 1 1 87 87 TYR N N 87 119.339 119.339 118.522 0.817 18817 382 1 . 1 1 87 87 TYR C C 87 178.922 178.922 177.033 1.889 18817 383 1 . 1 1 87 87 TYR CA C 87 57.225 57.225 59.294 -2.069 18817 384 1 . 1 1 87 87 TYR CB C 87 40.155 40.155 37.881 2.274 18817 385 1 . 1 1 87 87 TYR H H 87 7.981 7.981 8.157 -0.176 18817 386 1 . 1 1 88 88 ILE C C 88 175.951 175.951 177.365 -1.414 18817 387 1 . 1 1 89 89 VAL N N 89 119.921 119.921 118.460 1.461 18817 388 1 . 1 1 89 89 VAL C C 89 177.806 177.806 177.654 0.152 18817 389 1 . 1 1 89 89 VAL CA C 89 63.289 63.289 66.174 -2.885 18817 390 1 . 1 1 89 89 VAL CB C 89 31.247 31.247 31.320 -0.073 18817 391 1 . 1 1 89 89 VAL H H 89 7.397 7.397 7.549 -0.152 18817 392 1 . 1 1 90 90 GLU N N 90 119.266 119.266 120.081 -0.815 18817 393 1 . 1 1 90 90 GLU C C 90 178.316 178.316 178.519 -0.203 18817 394 1 . 1 1 90 90 GLU CA C 90 58.285 58.285 59.304 -1.019 18817 395 1 . 1 1 90 90 GLU CB C 90 31.270 31.270 29.262 2.008 18817 396 1 . 1 1 90 90 GLU H H 90 8.111 8.111 7.726 0.385 18817 397 1 . 1 1 91 91 ASP C C 91 177.542 177.542 178.173 -0.631 18817 398 1 . 1 1 91 91 ASP CA C 91 56.637 56.637 57.360 -0.723 18817 399 1 . 1 1 91 91 ASP CB C 91 38.852 38.852 40.613 -1.761 18817 400 1 . 1 1 92 92 TRP N N 92 120.874 120.874 121.129 -0.255 18817 401 1 . 1 1 92 92 TRP C C 92 177.384 177.384 178.113 -0.729 18817 402 1 . 1 1 92 92 TRP CA C 92 59.510 59.510 60.795 -1.285 18817 403 1 . 1 1 92 92 TRP CB C 92 27.817 27.817 29.717 -1.900 18817 404 1 . 1 1 92 92 TRP H H 92 7.852 7.852 7.692 0.160 18817 405 1 . 1 1 93 93 GLN N N 93 119.478 119.478 117.649 1.829 18817 406 1 . 1 1 93 93 GLN C C 93 177.653 177.653 178.236 -0.584 18817 407 1 . 1 1 93 93 GLN CA C 93 58.991 58.991 59.233 -0.242 18817 408 1 . 1 1 93 93 GLN CB C 93 27.205 27.205 28.267 -1.062 18817 409 1 . 1 1 93 93 GLN H H 93 8.010 8.010 8.095 -0.085 18817 410 1 . 1 1 94 94 GLU N N 94 117.531 117.531 119.547 -2.016 18817 411 1 . 1 1 94 94 GLU C C 94 178.798 178.798 178.765 0.033 18817 412 1 . 1 1 94 94 GLU CA C 94 57.794 57.794 59.009 -1.215 18817 413 1 . 1 1 94 94 GLU CB C 94 28.816 28.816 29.586 -0.770 18817 414 1 . 1 1 94 94 GLU H H 94 7.589 7.589 7.884 -0.295 18817 415 1 . 1 1 95 95 LYS N N 95 119.905 119.905 119.684 0.221 18817 416 1 . 1 1 95 95 LYS C C 95 178.416 178.416 178.739 -0.323 18817 417 1 . 1 1 95 95 LYS CA C 95 58.576 58.576 58.448 0.128 18817 418 1 . 1 1 95 95 LYS CB C 95 32.120 32.120 32.357 -0.237 18817 419 1 . 1 1 95 95 LYS H H 95 7.832 7.832 7.644 0.188 18817 420 1 . 1 1 96 96 TYR N N 96 117.063 117.063 120.008 -2.945 18817 421 1 . 1 1 96 96 TYR C C 96 176.535 176.535 177.088 -0.553 18817 422 1 . 1 1 96 96 TYR CA C 96 58.804 58.804 60.876 -2.073 18817 423 1 . 1 1 96 96 TYR CB C 96 37.106 37.106 38.259 -1.153 18817 424 1 . 1 1 96 96 TYR H H 96 7.916 7.916 8.277 -0.361 18817 425 1 . 1 1 97 97 LYS N N 97 120.781 120.781 119.051 1.730 18817 426 1 . 1 1 97 97 LYS C C 97 178.281 178.281 178.672 -0.391 18817 427 1 . 1 1 97 97 LYS CA C 97 59.605 59.605 59.400 0.205 18817 428 1 . 1 1 97 97 LYS CB C 97 31.265 31.265 32.093 -0.828 18817 429 1 . 1 1 97 97 LYS H H 97 7.610 7.610 7.561 0.049 18817 430 1 . 1 1 98 98 SER N N 98 113.319 113.319 115.025 -1.706 18817 431 1 . 1 1 98 98 SER C C 98 176.355 176.355 176.469 -0.114 18817 432 1 . 1 1 98 98 SER CA C 98 60.840 60.840 61.378 -0.538 18817 433 1 . 1 1 98 98 SER CB C 98 61.944 61.944 62.668 -0.724 18817 434 1 . 1 1 98 98 SER H H 98 8.180 8.180 7.661 0.519 18817 435 1 . 1 1 99 99 GLN N N 99 121.218 121.218 120.963 0.255 18817 436 1 . 1 1 99 99 GLN C C 99 178.134 178.134 178.469 -0.335 18817 437 1 . 1 1 99 99 GLN CA C 99 58.234 58.234 58.772 -0.538 18817 438 1 . 1 1 99 99 GLN CB C 99 27.521 27.521 28.398 -0.877 18817 439 1 . 1 1 99 99 GLN H H 99 7.822 7.822 7.474 0.348 18817 440 1 . 1 1 100 100 ILE N N 100 119.936 119.936 118.667 1.269 18817 441 1 . 1 1 100 100 ILE C C 100 177.443 177.443 177.882 -0.439 18817 442 1 . 1 1 100 100 ILE CA C 100 63.808 63.808 64.057 -0.249 18817 443 1 . 1 1 100 100 ILE CB C 100 36.622 36.622 37.512 -0.890 18817 444 1 . 1 1 100 100 ILE H H 100 7.992 7.992 7.285 0.707 18817 445 1 . 1 1 101 101 LEU N N 101 120.350 120.350 121.011 -0.661 18817 446 1 . 1 1 101 101 LEU C C 101 178.913 178.913 178.346 0.567 18817 447 1 . 1 1 101 101 LEU CA C 101 56.911 56.911 58.301 -1.390 18817 448 1 . 1 1 101 101 LEU CB C 101 40.296 40.296 41.701 -1.405 18817 449 1 . 1 1 101 101 LEU H H 101 7.861 7.861 7.866 -0.005 18817 450 1 . 1 1 102 102 ASN N N 102 117.859 117.859 117.518 0.341 18817 451 1 . 1 1 102 102 ASN C C 102 177.647 177.647 177.584 0.063 18817 452 1 . 1 1 102 102 ASN CA C 102 54.937 54.937 55.998 -1.061 18817 453 1 . 1 1 102 102 ASN CB C 102 37.917 37.917 38.297 -0.380 18817 454 1 . 1 1 102 102 ASN H H 102 7.767 7.767 7.854 -0.087 18817 455 1 . 1 1 103 103 LEU N N 103 122.625 122.625 120.737 1.888 18817 456 1 . 1 1 103 103 LEU C C 103 178.656 178.656 178.531 0.125 18817 457 1 . 1 1 103 103 LEU CA C 103 57.339 57.339 57.977 -0.638 18817 458 1 . 1 1 103 103 LEU CB C 103 40.726 40.726 41.716 -0.990 18817 459 1 . 1 1 103 103 LEU H H 103 8.021 8.021 7.681 0.340 18817 460 1 . 1 1 104 104 GLU N N 104 118.900 118.900 118.412 0.488 18817 461 1 . 1 1 104 104 GLU C C 104 178.825 178.825 178.911 -0.086 18817 462 1 . 1 1 104 104 GLU CA C 104 58.665 58.665 59.589 -0.924 18817 463 1 . 1 1 104 104 GLU CB C 104 27.791 27.791 29.245 -1.454 18817 464 1 . 1 1 104 104 GLU H H 104 8.267 8.267 7.755 0.512 18817 465 1 . 1 1 105 105 GLU N N 105 119.025 119.025 119.117 -0.092 18817 466 1 . 1 1 105 105 GLU C C 105 178.532 178.532 178.900 -0.368 18817 467 1 . 1 1 105 105 GLU CA C 105 57.823 57.823 59.015 -1.192 18817 468 1 . 1 1 105 105 GLU CB C 105 28.159 28.159 29.408 -1.249 18817 469 1 . 1 1 105 105 GLU H H 105 8.079 8.079 7.812 0.267 18817 470 1 . 1 1 106 106 SER N N 106 116.209 116.209 115.310 0.899 18817 471 1 . 1 1 106 106 SER C C 106 175.406 175.406 176.389 -0.983 18817 472 1 . 1 1 106 106 SER CA C 106 60.134 60.134 61.430 -1.296 18817 473 1 . 1 1 106 106 SER CB C 106 62.748 62.748 62.982 -0.234 18817 474 1 . 1 1 106 106 SER H H 106 7.942 7.942 7.985 -0.043 18817 475 1 . 1 1 107 107 LYS N N 107 121.873 121.873 121.545 0.328 18817 476 1 . 1 1 107 107 LYS C C 107 177.217 177.217 178.351 -1.134 18817 477 1 . 1 1 107 107 LYS CA C 107 59.017 59.017 59.126 -0.109 18817 478 1 . 1 1 107 107 LYS CB C 107 31.428 31.428 32.203 -0.775 18817 479 1 . 1 1 107 107 LYS H H 107 7.917 7.917 7.616 0.301 18817 480 1 . 1 1 108 108 ALA N N 108 121.920 121.920 120.476 1.444 18817 481 1 . 1 1 108 108 ALA C C 108 179.577 179.577 179.476 0.101 18817 482 1 . 1 1 108 108 ALA CA C 108 54.338 54.338 55.086 -0.748 18817 483 1 . 1 1 108 108 ALA CB C 108 17.570 17.570 18.224 -0.654 18817 484 1 . 1 1 108 108 ALA H H 108 7.956 7.956 7.659 0.297 18817 485 1 . 1 1 109 109 THR N N 109 114.512 114.512 114.985 -0.473 18817 486 1 . 1 1 109 109 THR C C 109 176.373 176.373 176.656 -0.283 18817 487 1 . 1 1 109 109 THR CA C 109 64.381 64.381 66.237 -1.856 18817 488 1 . 1 1 109 109 THR CB C 109 68.652 68.652 68.651 0.001 18817 489 1 . 1 1 109 109 THR H H 109 7.844 7.844 7.572 0.272 18817 490 1 . 1 1 110 110 ILE N N 110 122.486 122.486 121.111 1.375 18817 491 1 . 1 1 110 110 ILE C C 110 177.059 177.059 177.684 -0.625 18817 492 1 . 1 1 110 110 ILE CA C 110 64.071 64.071 64.689 -0.618 18817 493 1 . 1 1 110 110 ILE CB C 110 36.915 36.915 37.531 -0.615 18817 494 1 . 1 1 110 110 ILE H H 110 8.000 8.000 7.822 0.178 18817 495 1 . 1 1 111 111 HIS N N 111 118.524 118.524 118.474 0.050 18817 496 1 . 1 1 111 111 HIS C C 111 176.567 176.567 177.436 -0.869 18817 497 1 . 1 1 111 111 HIS CA C 111 58.118 58.118 59.372 -1.254 18817 498 1 . 1 1 111 111 HIS CB C 111 28.153 28.153 29.770 -1.617 18817 499 1 . 1 1 111 111 HIS H H 111 8.324 8.324 7.952 0.372 18817 500 1 . 1 1 112 112 GLU N N 112 118.814 118.814 118.928 -0.114 18817 501 1 . 1 1 112 112 GLU C C 112 177.683 177.683 178.688 -1.005 18817 502 1 . 1 1 112 112 GLU CA C 112 57.625 57.625 58.975 -1.350 18817 503 1 . 1 1 112 112 GLU CB C 112 28.429 28.429 29.407 -0.978 18817 504 1 . 1 1 112 112 GLU H H 112 8.110 8.110 8.037 0.072 18817 505 1 . 1 1 113 113 ASN N N 113 117.915 117.915 117.831 0.084 18817 506 1 . 1 1 113 113 ASN C C 113 176.404 176.404 177.778 -1.374 18817 507 1 . 1 1 113 113 ASN CA C 113 54.713 54.713 55.892 -1.179 18817 508 1 . 1 1 113 113 ASN CB C 113 38.811 38.811 38.478 0.333 18817 509 1 . 1 1 113 113 ASN H H 113 7.982 7.982 7.733 0.249 18817 510 1 . 1 1 114 114 ILE N N 114 119.971 119.971 117.681 2.290 18817 511 1 . 1 1 114 114 ILE C C 114 177.039 177.039 177.607 -0.568 18817 512 1 . 1 1 114 114 ILE CA C 114 63.324 63.324 63.398 -0.074 18817 513 1 . 1 1 114 114 ILE CB C 114 37.055 37.055 37.394 -0.339 18817 514 1 . 1 1 114 114 ILE H H 114 8.041 8.041 7.432 0.609 18817 515 1 . 1 1 115 115 GLY N N 115 108.864 108.864 107.527 1.337 18817 516 1 . 1 1 115 115 GLY C C 115 175.204 175.204 175.188 0.016 18817 517 1 . 1 1 115 115 GLY CA C 115 45.868 45.868 46.296 -0.428 18817 518 1 . 1 1 115 115 GLY H H 115 7.977 7.977 7.866 0.111 18817 519 1 . 1 1 116 116 ALA N N 116 123.570 123.570 123.571 -0.000 18817 520 1 . 1 1 116 116 ALA HA H 116 4.254 4.254 4.211 0.043 18817 521 1 . 1 1 116 116 ALA C C 116 178.382 178.382 177.536 0.846 18817 522 1 . 1 1 116 116 ALA CA C 116 52.974 52.974 53.477 -0.503 18817 523 1 . 1 1 116 116 ALA CB C 116 18.106 18.106 18.941 -0.835 18817 524 1 . 1 1 116 116 ALA H H 116 7.818 7.818 7.530 0.288 18817 525 1 . 1 1 117 117 ALA N N 117 120.751 120.751 119.754 0.997 18817 526 1 . 1 1 117 117 ALA C C 117 178.099 178.099 177.212 0.887 18817 527 1 . 1 1 117 117 ALA CA C 117 52.818 52.818 52.408 0.410 18817 528 1 . 1 1 117 117 ALA CB C 117 18.130 18.130 18.743 -0.613 18817 529 1 . 1 1 117 117 ALA H H 117 7.766 7.766 7.648 0.118 18817 530 1 . 1 1 118 118 GLY N N 118 105.627 105.627 108.467 -2.840 18817 531 1 . 1 1 118 118 GLY C C 118 174.144 174.144 173.581 0.563 18817 532 1 . 1 1 118 118 GLY CA C 118 45.505 45.505 44.946 0.559 18817 533 1 . 1 1 118 118 GLY H H 118 7.885 7.885 8.088 -0.203 18817 534 1 . 1 1 119 119 PHE N N 119 119.825 119.825 120.561 -0.736 18817 535 1 . 1 1 119 119 PHE HA H 119 4.542 4.542 4.772 -0.230 18817 536 1 . 1 1 119 119 PHE C C 119 175.543 175.543 174.931 0.612 18817 537 1 . 1 1 119 119 PHE CA C 119 57.858 57.858 57.016 0.842 18817 538 1 . 1 1 119 119 PHE CB C 119 38.866 38.866 39.775 -0.909 18817 539 1 . 1 1 119 119 PHE H H 119 7.730 7.730 7.677 0.053 18817 540 1 . 1 1 120 120 LYS N N 120 122.164 122.164 123.413 -1.249 18817 541 1 . 1 1 120 120 LYS C C 120 175.748 175.748 175.896 -0.148 18817 542 1 . 1 1 120 120 LYS CA C 120 55.644 55.644 56.651 -1.007 18817 543 1 . 1 1 120 120 LYS CB C 120 32.442 32.442 32.627 -0.185 18817 544 1 . 1 1 120 120 LYS H H 120 7.897 7.897 8.305 -0.408 18817 545 1 . 1 1 121 121 MET N N 121 119.305 119.305 120.080 -0.775 18817 546 1 . 1 1 121 121 MET HA H 121 4.481 4.481 4.618 -0.137 18817 547 1 . 1 1 121 121 MET C C 121 175.641 175.641 175.800 -0.159 18817 548 1 . 1 1 121 121 MET CA C 121 54.851 54.851 55.052 -0.201 18817 549 1 . 1 1 121 121 MET CB C 121 32.855 32.855 33.842 -0.987 18817 550 1 . 1 1 121 121 MET H H 121 7.937 7.937 7.976 -0.039 18817 551 1 . 1 1 122 122 SER N N 122 117.184 117.184 119.532 -2.349 18817 552 1 . 1 1 122 122 SER C C 122 173.619 173.619 173.492 0.128 18817 553 1 . 1 1 122 122 SER CA C 122 57.625 57.625 57.156 0.469 18817 554 1 . 1 1 122 122 SER CB C 122 62.847 62.847 63.252 -0.404 18817 555 1 . 1 1 122 122 SER H H 122 8.052 8.052 8.463 -0.411 18817 stop_ save_