data_19632 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19632 _Entry.PDB_ID 2MHG 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 19632 _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 ALA HA H 2 4.290 4.290 4.302 -0.012 19632 2 1 1 . 1 1 2 2 ALA CA C 2 53.589 53.589 52.604 0.985 19632 3 1 1 . 1 1 2 2 ALA CB C 2 19.556 19.556 18.948 0.608 19632 4 1 1 . 1 1 5 5 ASP N N 5 116.992 116.992 122.032 -5.040 19632 5 1 1 . 1 1 5 5 ASP HA H 5 4.622 4.622 4.717 -0.095 19632 6 1 1 . 1 1 5 5 ASP CA C 5 54.508 54.508 54.698 -0.190 19632 7 1 1 . 1 1 5 5 ASP CB C 5 41.375 41.375 41.438 -0.063 19632 8 1 1 . 1 1 5 5 ASP H H 5 8.372 8.372 8.359 0.013 19632 9 1 1 . 1 1 6 6 ALA N N 6 124.275 124.275 126.678 -2.403 19632 10 1 1 . 1 1 6 6 ALA HA H 6 4.582 4.582 4.561 0.021 19632 11 1 1 . 1 1 6 6 ALA CA C 6 48.068 48.068 50.654 -2.586 19632 12 1 1 . 1 1 6 6 ALA CB C 6 18.765 18.765 19.041 -0.276 19632 13 1 1 . 1 1 6 6 ALA H H 6 7.984 7.984 8.332 -0.348 19632 14 1 1 . 1 1 7 7 PRO HA H 7 4.486 4.486 4.536 -0.050 19632 15 1 1 . 1 1 7 7 PRO CA C 7 63.406 63.406 62.059 1.347 19632 16 1 1 . 1 1 7 7 PRO CB C 7 32.491 32.491 32.833 -0.342 19632 17 1 1 . 1 1 8 8 SER N N 8 115.947 115.947 113.501 2.446 19632 18 1 1 . 1 1 8 8 SER HA H 8 4.483 4.483 4.162 0.321 19632 19 1 1 . 1 1 8 8 SER CA C 8 58.635 58.635 59.361 -0.726 19632 20 1 1 . 1 1 8 8 SER CB C 8 64.447 64.447 62.804 1.643 19632 21 1 1 . 1 1 8 8 SER H H 8 8.424 8.424 8.369 0.055 19632 22 1 1 . 1 1 9 9 GLY N N 9 109.902 109.902 113.712 -3.810 19632 23 1 1 . 1 1 9 9 GLY CA C 9 45.804 45.804 45.375 0.429 19632 24 1 1 . 1 1 9 9 GLY H H 9 8.352 8.352 8.107 0.245 19632 25 1 1 . 1 1 10 10 GLU N N 10 119.364 119.364 119.774 -0.410 19632 26 1 1 . 1 1 10 10 GLU HA H 10 4.808 4.808 4.092 0.716 19632 27 1 1 . 1 1 10 10 GLU CA C 10 53.481 53.481 56.092 -2.611 19632 28 1 1 . 1 1 10 10 GLU CB C 10 30.956 30.956 28.626 2.330 19632 29 1 1 . 1 1 10 10 GLU H H 10 8.071 8.071 8.225 -0.154 19632 30 1 1 . 1 1 11 11 PRO HA H 11 5.012 5.012 4.878 0.134 19632 31 1 1 . 1 1 11 11 PRO CA C 11 63.350 63.350 62.828 0.522 19632 32 1 1 . 1 1 11 11 PRO CB C 11 34.176 34.176 32.519 1.657 19632 33 1 1 . 1 1 12 12 ASP N N 12 122.007 122.007 124.240 -2.233 19632 34 1 1 . 1 1 12 12 ASP HA H 12 5.030 5.030 4.831 0.199 19632 35 1 1 . 1 1 12 12 ASP CA C 12 53.249 53.249 52.841 0.408 19632 36 1 1 . 1 1 12 12 ASP CB C 12 45.006 45.006 43.999 1.007 19632 37 1 1 . 1 1 12 12 ASP H H 12 9.396 9.396 8.885 0.511 19632 38 1 1 . 1 1 13 13 VAL N N 13 120.517 120.517 120.287 0.230 19632 39 1 1 . 1 1 13 13 VAL HA H 13 5.090 5.090 4.760 0.330 19632 40 1 1 . 1 1 13 13 VAL CA C 13 59.653 59.653 59.867 -0.214 19632 41 1 1 . 1 1 13 13 VAL CB C 13 35.347 35.347 33.622 1.725 19632 42 1 1 . 1 1 13 13 VAL H H 13 8.402 8.402 8.390 0.012 19632 43 1 1 . 1 1 14 14 THR N N 14 122.388 122.388 126.142 -3.754 19632 44 1 1 . 1 1 14 14 THR HA H 14 4.465 4.465 4.382 0.083 19632 45 1 1 . 1 1 14 14 THR CA C 14 61.591 61.591 62.343 -0.752 19632 46 1 1 . 1 1 14 14 THR CB C 14 71.537 71.537 68.835 2.702 19632 47 1 1 . 1 1 14 14 THR H H 14 8.397 8.397 8.778 -0.381 19632 48 1 1 . 1 1 15 15 ILE N N 15 125.929 125.929 128.543 -2.614 19632 49 1 1 . 1 1 15 15 ILE HA H 15 4.882 4.882 4.051 0.831 19632 50 1 1 . 1 1 15 15 ILE CA C 15 60.655 60.655 61.282 -0.627 19632 51 1 1 . 1 1 15 15 ILE CB C 15 40.004 40.004 37.703 2.301 19632 52 1 1 . 1 1 15 15 ILE H H 15 8.628 8.628 8.637 -0.009 19632 53 1 1 . 1 1 16 16 ARG N N 16 125.332 125.332 128.464 -3.132 19632 54 1 1 . 1 1 16 16 ARG HA H 16 4.662 4.662 4.717 -0.055 19632 55 1 1 . 1 1 16 16 ARG CA C 16 54.731 54.731 53.522 1.209 19632 56 1 1 . 1 1 16 16 ARG CB C 16 33.731 33.731 33.469 0.262 19632 57 1 1 . 1 1 16 16 ARG H H 16 9.057 9.057 8.540 0.517 19632 58 1 1 . 1 1 17 17 GLN N N 17 121.044 121.044 119.046 1.998 19632 59 1 1 . 1 1 17 17 GLN HA H 17 4.803 4.803 4.679 0.124 19632 60 1 1 . 1 1 17 17 GLN CA C 17 55.241 55.241 55.269 -0.028 19632 61 1 1 . 1 1 17 17 GLN CB C 17 30.461 30.461 30.845 -0.384 19632 62 1 1 . 1 1 17 17 GLN H H 17 8.508 8.508 8.561 -0.053 19632 63 1 1 . 1 1 18 18 GLU N N 18 125.409 125.409 125.841 -0.432 19632 64 1 1 . 1 1 18 18 GLU HA H 18 4.529 4.529 4.504 0.025 19632 65 1 1 . 1 1 18 18 GLU CA C 18 55.018 55.018 54.543 0.475 19632 66 1 1 . 1 1 18 18 GLU CB C 18 31.654 31.654 28.302 3.352 19632 67 1 1 . 1 1 18 18 GLU H H 18 8.394 8.394 8.549 -0.155 19632 68 1 1 . 1 1 19 19 GLY N N 19 114.286 114.286 114.661 -0.375 19632 69 1 1 . 1 1 19 19 GLY CA C 19 47.887 47.887 45.760 2.127 19632 70 1 1 . 1 1 19 19 GLY H H 19 8.804 8.804 8.199 0.605 19632 71 1 1 . 1 1 20 20 ASP N N 20 124.137 124.137 125.831 -1.694 19632 72 1 1 . 1 1 20 20 ASP HA H 20 4.536 4.536 4.826 -0.290 19632 73 1 1 . 1 1 20 20 ASP CA C 20 54.019 54.019 54.162 -0.143 19632 74 1 1 . 1 1 20 20 ASP CB C 20 41.053 41.053 40.893 0.160 19632 75 1 1 . 1 1 20 20 ASP H H 20 8.519 8.519 8.580 -0.061 19632 76 1 1 . 1 1 21 21 LYS N N 21 116.711 116.711 119.200 -2.489 19632 77 1 1 . 1 1 21 21 LYS HA H 21 4.648 4.648 5.163 -0.515 19632 78 1 1 . 1 1 21 21 LYS CA C 21 55.468 55.468 54.457 1.011 19632 79 1 1 . 1 1 21 21 LYS CB C 21 34.941 34.941 34.453 0.488 19632 80 1 1 . 1 1 21 21 LYS H H 21 7.696 7.696 7.192 0.504 19632 81 1 1 . 1 1 22 22 THR N N 22 118.655 118.655 122.860 -4.205 19632 82 1 1 . 1 1 22 22 THR HA H 22 4.541 4.541 4.524 0.017 19632 83 1 1 . 1 1 22 22 THR CA C 22 62.936 62.936 63.228 -0.292 19632 84 1 1 . 1 1 22 22 THR CB C 22 70.275 70.275 68.283 1.992 19632 85 1 1 . 1 1 22 22 THR H H 22 7.994 7.994 8.625 -0.631 19632 86 1 1 . 1 1 23 23 ILE N N 23 126.114 126.114 129.394 -3.280 19632 87 1 1 . 1 1 23 23 ILE HA H 23 4.699 4.699 4.064 0.635 19632 88 1 1 . 1 1 23 23 ILE CA C 23 59.119 59.119 60.556 -1.437 19632 89 1 1 . 1 1 23 23 ILE CB C 23 40.729 40.729 37.518 3.211 19632 90 1 1 . 1 1 23 23 ILE H H 23 8.957 8.957 8.463 0.494 19632 91 1 1 . 1 1 24 24 GLN N N 24 123.560 123.560 128.002 -4.442 19632 92 1 1 . 1 1 24 24 GLN HA H 24 5.121 5.121 4.602 0.519 19632 93 1 1 . 1 1 24 24 GLN CA C 24 53.653 53.653 54.450 -0.797 19632 94 1 1 . 1 1 24 24 GLN CB C 24 30.573 30.573 29.191 1.382 19632 95 1 1 . 1 1 24 24 GLN H H 24 8.932 8.932 8.781 0.151 19632 96 1 1 . 1 1 25 25 GLU N N 25 122.651 122.651 125.087 -2.436 19632 97 1 1 . 1 1 25 25 GLU HA H 25 4.462 4.462 4.350 0.112 19632 98 1 1 . 1 1 25 25 GLU CA C 25 55.548 55.548 55.740 -0.192 19632 99 1 1 . 1 1 25 25 GLU CB C 25 32.644 32.644 29.997 2.647 19632 100 1 1 . 1 1 25 25 GLU H H 25 8.987 8.987 8.866 0.121 19632 101 1 1 . 1 1 26 26 TYR N N 26 124.044 124.044 126.605 -2.561 19632 102 1 1 . 1 1 26 26 TYR HA H 26 4.756 4.756 4.584 0.172 19632 103 1 1 . 1 1 26 26 TYR CA C 26 58.317 58.317 58.481 -0.164 19632 104 1 1 . 1 1 26 26 TYR CB C 26 38.543 38.543 37.144 1.399 19632 105 1 1 . 1 1 26 26 TYR H H 26 8.930 8.930 8.851 0.079 19632 106 1 1 . 1 1 27 27 ARG N N 27 119.739 119.739 123.877 -4.138 19632 107 1 1 . 1 1 27 27 ARG HA H 27 5.657 5.657 5.100 0.557 19632 108 1 1 . 1 1 27 27 ARG CA C 27 53.860 53.860 54.902 -1.042 19632 109 1 1 . 1 1 27 27 ARG CB C 27 36.310 36.310 32.490 3.820 19632 110 1 1 . 1 1 27 27 ARG H H 27 8.496 8.496 8.534 -0.038 19632 111 1 1 . 1 1 28 28 VAL N N 28 115.698 115.698 124.026 -8.328 19632 112 1 1 . 1 1 28 28 VAL HA H 28 4.526 4.526 4.205 0.321 19632 113 1 1 . 1 1 28 28 VAL CA C 28 60.002 60.002 64.334 -4.332 19632 114 1 1 . 1 1 28 28 VAL CB C 28 34.889 34.889 33.118 1.771 19632 115 1 1 . 1 1 28 28 VAL H H 28 8.716 8.716 8.169 0.547 19632 116 1 1 . 1 1 29 29 ASN N N 29 128.827 128.827 119.409 9.418 19632 117 1 1 . 1 1 29 29 ASN HA H 29 4.309 4.309 4.765 -0.456 19632 118 1 1 . 1 1 29 29 ASN CA C 29 54.385 54.385 52.863 1.522 19632 119 1 1 . 1 1 29 29 ASN CB C 29 38.270 38.270 36.909 1.361 19632 120 1 1 . 1 1 29 29 ASN H H 29 9.605 9.605 8.495 1.110 19632 121 1 1 . 1 1 30 30 GLY N N 30 103.111 103.111 109.226 -6.115 19632 122 1 1 . 1 1 30 30 GLY CA C 30 45.901 45.901 45.936 -0.035 19632 123 1 1 . 1 1 30 30 GLY H H 30 8.784 8.784 8.640 0.144 19632 124 1 1 . 1 1 31 31 PHE N N 31 123.693 123.693 119.419 4.274 19632 125 1 1 . 1 1 31 31 PHE HA H 31 4.529 4.529 4.724 -0.195 19632 126 1 1 . 1 1 31 31 PHE CA C 31 57.924 57.924 56.453 1.471 19632 127 1 1 . 1 1 31 31 PHE CB C 31 40.207 40.207 42.105 -1.898 19632 128 1 1 . 1 1 31 31 PHE H H 31 8.191 8.191 7.847 0.344 19632 129 1 1 . 1 1 32 32 LEU N N 32 130.348 130.348 129.688 0.660 19632 130 1 1 . 1 1 32 32 LEU HA H 32 4.427 4.427 4.386 0.041 19632 131 1 1 . 1 1 32 32 LEU CA C 32 55.517 55.517 55.100 0.417 19632 132 1 1 . 1 1 32 32 LEU CB C 32 42.468 42.468 41.346 1.122 19632 133 1 1 . 1 1 32 32 LEU H H 32 8.171 8.171 8.267 -0.096 19632 134 1 1 . 1 1 33 33 TYR N N 33 124.923 124.923 123.202 1.721 19632 135 1 1 . 1 1 33 33 TYR HA H 33 4.557 4.557 4.812 -0.255 19632 136 1 1 . 1 1 33 33 TYR CA C 33 56.404 56.404 56.752 -0.348 19632 137 1 1 . 1 1 33 33 TYR CB C 33 39.131 39.131 39.981 -0.850 19632 138 1 1 . 1 1 33 33 TYR H H 33 8.415 8.415 8.997 -0.582 19632 139 1 1 . 1 1 34 34 ALA N N 34 120.211 120.211 120.872 -0.661 19632 140 1 1 . 1 1 34 34 ALA HA H 34 5.528 5.528 5.426 0.102 19632 141 1 1 . 1 1 34 34 ALA CA C 34 52.196 52.196 51.344 0.851 19632 142 1 1 . 1 1 34 34 ALA CB C 34 22.633 22.633 22.191 0.442 19632 143 1 1 . 1 1 34 34 ALA H H 34 7.399 7.399 7.241 0.158 19632 144 1 1 . 1 1 35 35 ILE N N 35 118.197 118.197 122.050 -3.853 19632 145 1 1 . 1 1 35 35 ILE HA H 35 5.157 5.157 4.914 0.243 19632 146 1 1 . 1 1 35 35 ILE CA C 35 60.000 60.000 60.100 -0.100 19632 147 1 1 . 1 1 35 35 ILE CB C 35 43.639 43.639 41.449 2.190 19632 148 1 1 . 1 1 35 35 ILE H H 35 9.224 9.224 8.922 0.302 19632 149 1 1 . 1 1 36 36 LYS N N 36 127.872 127.872 129.480 -1.608 19632 150 1 1 . 1 1 36 36 LYS HA H 36 4.204 4.204 4.645 -0.441 19632 151 1 1 . 1 1 36 36 LYS CA C 36 55.245 55.245 54.688 0.557 19632 152 1 1 . 1 1 36 36 LYS CB C 36 36.092 36.092 33.652 2.440 19632 153 1 1 . 1 1 36 36 LYS H H 36 9.708 9.708 8.651 1.057 19632 154 1 1 . 1 1 37 37 VAL N N 37 128.005 128.005 127.668 0.337 19632 155 1 1 . 1 1 37 37 VAL HA H 37 4.043 4.043 4.480 -0.437 19632 156 1 1 . 1 1 37 37 VAL CA C 37 61.840 61.840 59.811 2.029 19632 157 1 1 . 1 1 37 37 VAL CB C 37 32.523 32.523 34.022 -1.499 19632 158 1 1 . 1 1 37 37 VAL H H 37 8.551 8.551 7.564 0.987 19632 159 1 1 . 1 1 38 38 VAL N N 38 125.034 125.034 129.723 -4.689 19632 160 1 1 . 1 1 38 38 VAL HA H 38 4.277 4.277 4.394 -0.117 19632 161 1 1 . 1 1 38 38 VAL CA C 38 59.287 59.287 58.371 0.916 19632 162 1 1 . 1 1 38 38 VAL CB C 38 32.568 32.568 31.684 0.884 19632 163 1 1 . 1 1 38 38 VAL H H 38 8.668 8.668 8.834 -0.166 19632 164 1 1 . 1 1 39 39 PRO HA H 39 4.565 4.565 4.970 -0.405 19632 165 1 1 . 1 1 39 39 PRO CA C 39 62.202 62.202 61.756 0.446 19632 166 1 1 . 1 1 39 39 PRO CB C 39 32.887 32.887 32.704 0.183 19632 167 1 1 . 1 1 40 40 LYS N N 40 121.622 121.622 122.827 -1.205 19632 168 1 1 . 1 1 40 40 LYS HA H 40 3.877 3.877 3.953 -0.076 19632 169 1 1 . 1 1 40 40 LYS CA C 40 58.950 58.950 58.276 0.674 19632 170 1 1 . 1 1 40 40 LYS CB C 40 32.988 32.988 32.439 0.549 19632 171 1 1 . 1 1 40 40 LYS H H 40 8.275 8.275 8.552 -0.277 19632 172 1 1 . 1 1 41 41 HIS N N 41 114.012 114.012 117.651 -3.639 19632 173 1 1 . 1 1 41 41 HIS HA H 41 4.795 4.795 4.679 0.116 19632 174 1 1 . 1 1 41 41 HIS CA C 41 54.904 54.904 55.297 -0.393 19632 175 1 1 . 1 1 41 41 HIS CB C 41 30.835 30.835 28.888 1.947 19632 176 1 1 . 1 1 41 41 HIS H H 41 8.040 8.040 8.140 -0.100 19632 177 1 1 . 1 1 42 42 GLY N N 42 109.068 109.068 108.901 0.167 19632 178 1 1 . 1 1 42 42 GLY CA C 42 44.482 44.482 44.905 -0.423 19632 179 1 1 . 1 1 42 42 GLY H H 42 7.966 7.966 8.348 -0.382 19632 180 1 1 . 1 1 43 43 LYS N N 43 120.287 120.287 118.973 1.314 19632 181 1 1 . 1 1 43 43 LYS HA H 43 4.680 4.680 4.021 0.659 19632 182 1 1 . 1 1 43 43 LYS CA C 43 54.392 54.392 56.343 -1.952 19632 183 1 1 . 1 1 43 43 LYS CB C 43 33.511 33.511 31.406 2.105 19632 184 1 1 . 1 1 43 43 LYS H H 43 8.209 8.209 7.746 0.463 19632 185 1 1 . 1 1 44 44 PRO HA H 44 5.013 5.013 5.107 -0.094 19632 186 1 1 . 1 1 44 44 PRO CA C 44 62.744 62.744 62.927 -0.183 19632 187 1 1 . 1 1 44 44 PRO CB C 44 33.747 33.747 32.627 1.119 19632 188 1 1 . 1 1 45 45 TYR N N 45 115.140 115.140 115.479 -0.339 19632 189 1 1 . 1 1 45 45 TYR HA H 45 4.897 4.897 4.686 0.211 19632 190 1 1 . 1 1 45 45 TYR CA C 45 56.387 56.387 56.119 0.268 19632 191 1 1 . 1 1 45 45 TYR CB C 45 40.574 40.574 39.612 0.962 19632 192 1 1 . 1 1 45 45 TYR H H 45 8.176 8.176 7.900 0.276 19632 193 1 1 . 1 1 46 46 PHE N N 46 115.001 115.001 118.584 -3.583 19632 194 1 1 . 1 1 46 46 PHE HA H 46 5.662 5.662 4.720 0.942 19632 195 1 1 . 1 1 46 46 PHE CA C 46 56.395 56.395 57.146 -0.751 19632 196 1 1 . 1 1 46 46 PHE CB C 46 43.736 43.736 41.456 2.280 19632 197 1 1 . 1 1 46 46 PHE H H 46 8.607 8.607 9.175 -0.568 19632 198 1 1 . 1 1 47 47 LEU N N 47 121.747 121.747 125.905 -4.158 19632 199 1 1 . 1 1 47 47 LEU HA H 47 5.339 5.339 5.037 0.302 19632 200 1 1 . 1 1 47 47 LEU CA C 47 54.116 54.116 53.921 0.195 19632 201 1 1 . 1 1 47 47 LEU CB C 47 44.357 44.357 44.180 0.177 19632 202 1 1 . 1 1 47 47 LEU H H 47 9.631 9.631 8.915 0.716 19632 203 1 1 . 1 1 48 48 VAL N N 48 122.850 122.850 127.243 -4.393 19632 204 1 1 . 1 1 48 48 VAL HA H 48 4.476 4.476 4.652 -0.176 19632 205 1 1 . 1 1 48 48 VAL CA C 48 61.559 61.559 61.312 0.247 19632 206 1 1 . 1 1 48 48 VAL CB C 48 35.232 35.232 33.680 1.552 19632 207 1 1 . 1 1 48 48 VAL H H 48 9.334 9.334 9.466 -0.132 19632 208 1 1 . 1 1 49 49 ARG N N 49 129.488 129.488 128.111 1.377 19632 209 1 1 . 1 1 49 49 ARG HA H 49 3.045 3.045 3.529 -0.484 19632 210 1 1 . 1 1 49 49 ARG CA C 49 56.623 56.623 54.867 1.756 19632 211 1 1 . 1 1 49 49 ARG CB C 49 31.326 31.326 28.962 2.364 19632 212 1 1 . 1 1 49 49 ARG H H 49 8.451 8.451 8.607 -0.156 19632 213 1 1 . 1 1 50 50 ALA N N 50 131.016 131.016 129.901 1.115 19632 214 1 1 . 1 1 50 50 ALA HA H 50 4.418 4.418 4.219 0.199 19632 215 1 1 . 1 1 50 50 ALA CA C 50 51.502 51.502 51.524 -0.022 19632 216 1 1 . 1 1 50 50 ALA CB C 50 20.364 20.364 19.875 0.489 19632 217 1 1 . 1 1 50 50 ALA H H 50 8.524 8.524 7.815 0.709 19632 218 1 1 . 1 1 51 51 ASP N N 51 112.516 112.516 117.928 -5.412 19632 219 1 1 . 1 1 51 51 ASP HA H 51 4.413 4.413 4.392 0.021 19632 220 1 1 . 1 1 51 51 ASP CA C 51 54.301 54.301 54.867 -0.566 19632 221 1 1 . 1 1 51 51 ASP CB C 51 41.710 41.710 40.747 0.963 19632 222 1 1 . 1 1 51 51 ASP H H 51 8.597 8.597 8.196 0.401 19632 223 1 1 . 1 1 52 52 GLY N N 52 106.147 106.147 110.012 -3.865 19632 224 1 1 . 1 1 52 52 GLY CA C 52 45.499 45.499 44.459 1.040 19632 225 1 1 . 1 1 52 52 GLY H H 52 8.378 8.378 8.095 0.283 19632 226 1 1 . 1 1 53 53 SER N N 53 115.000 115.000 117.662 -2.662 19632 227 1 1 . 1 1 53 53 SER HA H 53 4.439 4.439 4.455 -0.016 19632 228 1 1 . 1 1 53 53 SER CA C 53 60.282 60.282 57.149 3.133 19632 229 1 1 . 1 1 53 53 SER CB C 53 64.175 64.175 63.048 1.127 19632 230 1 1 . 1 1 53 53 SER H H 53 8.677 8.677 8.608 0.069 19632 231 1 1 . 1 1 54 54 ASP N N 54 119.220 119.220 122.108 -2.888 19632 232 1 1 . 1 1 54 54 ASP HA H 54 4.595 4.595 4.504 0.091 19632 233 1 1 . 1 1 54 54 ASP CA C 54 55.689 55.689 55.055 0.634 19632 234 1 1 . 1 1 54 54 ASP CB C 54 41.326 41.326 41.417 -0.091 19632 235 1 1 . 1 1 54 54 ASP H H 54 8.364 8.364 7.799 0.565 19632 236 1 1 . 1 1 55 55 GLY N N 55 107.460 107.460 108.317 -0.857 19632 237 1 1 . 1 1 55 55 GLY CA C 55 47.210 47.210 44.722 2.488 19632 238 1 1 . 1 1 55 55 GLY H H 55 7.801 7.801 8.248 -0.447 19632 239 1 1 . 1 1 56 56 ASN N N 56 116.076 116.076 118.051 -1.975 19632 240 1 1 . 1 1 56 56 ASN HA H 56 4.997 4.997 5.705 -0.708 19632 241 1 1 . 1 1 56 56 ASN CA C 56 53.235 53.235 52.229 1.006 19632 242 1 1 . 1 1 56 56 ASN CB C 56 41.540 41.540 41.636 -0.096 19632 243 1 1 . 1 1 56 56 ASN H H 56 7.919 7.919 7.870 0.049 19632 244 1 1 . 1 1 57 57 PHE N N 57 118.405 118.405 122.303 -3.898 19632 245 1 1 . 1 1 57 57 PHE HA H 57 5.043 5.043 5.297 -0.254 19632 246 1 1 . 1 1 57 57 PHE CA C 57 56.786 56.786 56.333 0.453 19632 247 1 1 . 1 1 57 57 PHE CB C 57 44.374 44.374 43.819 0.555 19632 248 1 1 . 1 1 57 57 PHE H H 57 9.203 9.203 8.989 0.214 19632 249 1 1 . 1 1 58 58 ILE N N 58 118.503 118.503 119.816 -1.313 19632 250 1 1 . 1 1 58 58 ILE HA H 58 4.507 4.507 4.641 -0.134 19632 251 1 1 . 1 1 58 58 ILE CA C 58 60.493 60.493 58.716 1.777 19632 252 1 1 . 1 1 58 58 ILE CB C 58 42.447 42.447 39.824 2.623 19632 253 1 1 . 1 1 58 58 ILE H H 58 9.222 9.222 9.134 0.088 19632 254 1 1 . 1 1 59 59 ARG N N 59 126.283 126.283 125.929 0.354 19632 255 1 1 . 1 1 59 59 ARG HA H 59 5.111 5.111 5.595 -0.484 19632 256 1 1 . 1 1 59 59 ARG CA C 59 55.839 55.839 54.945 0.894 19632 257 1 1 . 1 1 59 59 ARG CB C 59 32.157 32.157 32.138 0.019 19632 258 1 1 . 1 1 59 59 ARG H H 59 9.298 9.298 8.752 0.546 19632 259 1 1 . 1 1 60 60 SER N N 60 119.913 119.913 116.564 3.349 19632 260 1 1 . 1 1 60 60 SER HA H 60 3.887 3.887 4.305 -0.418 19632 261 1 1 . 1 1 60 60 SER CA C 60 62.373 62.373 61.027 1.346 19632 262 1 1 . 1 1 60 60 SER CB C 60 62.777 62.777 63.559 -0.782 19632 263 1 1 . 1 1 60 60 SER H H 60 9.698 9.698 9.014 0.684 19632 264 1 1 . 1 1 61 61 ASP N N 61 117.504 117.504 120.994 -3.490 19632 265 1 1 . 1 1 61 61 ASP HA H 61 4.764 4.764 4.473 0.291 19632 266 1 1 . 1 1 61 61 ASP CA C 61 53.789 53.789 56.327 -2.538 19632 267 1 1 . 1 1 61 61 ASP CB C 61 40.082 40.082 41.312 -1.230 19632 268 1 1 . 1 1 61 61 ASP H H 61 8.769 8.769 8.659 0.110 19632 269 1 1 . 1 1 62 62 GLN N N 62 118.595 118.595 115.765 2.830 19632 270 1 1 . 1 1 62 62 GLN HA H 62 4.779 4.779 4.607 0.172 19632 271 1 1 . 1 1 62 62 GLN CA C 62 54.066 54.066 53.734 0.332 19632 272 1 1 . 1 1 62 62 GLN CB C 62 30.309 30.309 30.413 -0.104 19632 273 1 1 . 1 1 62 62 GLN H H 62 7.467 7.467 7.580 -0.113 19632 274 1 1 . 1 1 63 63 PRO HA H 63 4.662 4.662 4.658 0.004 19632 275 1 1 . 1 1 63 63 PRO CB C 63 32.293 32.293 32.045 0.248 19632 276 1 1 . 1 1 64 64 ASP N N 64 116.697 116.697 117.330 -0.633 19632 277 1 1 . 1 1 64 64 ASP HA H 64 4.662 4.662 4.624 0.038 19632 278 1 1 . 1 1 64 64 ASP CA C 64 54.449 54.449 54.543 -0.094 19632 279 1 1 . 1 1 64 64 ASP CB C 64 41.201 41.201 40.372 0.829 19632 280 1 1 . 1 1 64 64 ASP H H 64 8.389 8.389 8.499 -0.110 19632 281 1 1 . 1 1 65 65 LYS N N 65 119.781 119.781 120.448 -0.667 19632 282 1 1 . 1 1 65 65 LYS HA H 65 4.547 4.547 4.568 -0.021 19632 283 1 1 . 1 1 65 65 LYS CA C 65 55.469 55.469 55.465 0.004 19632 284 1 1 . 1 1 65 65 LYS CB C 65 34.796 34.796 34.613 0.183 19632 285 1 1 . 1 1 65 65 LYS H H 65 7.592 7.592 7.480 0.112 19632 286 1 1 . 1 1 66 66 LEU N N 66 125.131 125.131 124.770 0.361 19632 287 1 1 . 1 1 66 66 LEU HA H 66 4.708 4.708 4.484 0.224 19632 288 1 1 . 1 1 66 66 LEU CA C 66 54.496 54.496 54.546 -0.050 19632 289 1 1 . 1 1 66 66 LEU CB C 66 44.010 44.010 42.960 1.050 19632 290 1 1 . 1 1 66 66 LEU H H 66 8.300 8.300 8.464 -0.164 19632 291 1 1 . 1 1 67 67 ILE N N 67 124.524 124.524 124.484 0.040 19632 292 1 1 . 1 1 67 67 ILE HA H 67 4.447 4.447 4.537 -0.090 19632 293 1 1 . 1 1 67 67 ILE CA C 67 57.824 57.824 57.122 0.702 19632 294 1 1 . 1 1 67 67 ILE CB C 67 40.744 40.744 38.704 2.040 19632 295 1 1 . 1 1 67 67 ILE H H 67 9.427 9.427 9.012 0.415 19632 296 1 1 . 1 1 68 68 PRO HA H 68 4.649 4.649 4.620 0.029 19632 297 1 1 . 1 1 68 68 PRO CB C 68 32.644 32.644 32.116 0.528 19632 298 1 1 . 1 1 69 69 GLN N N 69 119.126 119.126 118.395 0.731 19632 299 1 1 . 1 1 69 69 GLN HA H 69 3.730 3.730 3.979 -0.249 19632 300 1 1 . 1 1 69 69 GLN CA C 69 59.447 59.447 59.953 -0.506 19632 301 1 1 . 1 1 69 69 GLN CB C 69 28.819 28.819 28.392 0.427 19632 302 1 1 . 1 1 69 69 GLN H H 69 8.386 8.386 8.566 -0.180 19632 303 1 1 . 1 1 70 70 TRP N N 70 112.076 112.076 115.155 -3.079 19632 304 1 1 . 1 1 70 70 TRP HA H 70 4.525 4.525 4.543 -0.018 19632 305 1 1 . 1 1 70 70 TRP CA C 70 58.197 58.197 58.194 0.003 19632 306 1 1 . 1 1 70 70 TRP CB C 70 28.016 28.016 28.336 -0.320 19632 307 1 1 . 1 1 70 70 TRP H H 70 6.972 6.972 7.800 -0.828 19632 308 1 1 . 1 1 71 71 GLU N N 71 119.388 119.388 118.879 0.509 19632 309 1 1 . 1 1 71 71 GLU HA H 71 4.249 4.249 4.304 -0.056 19632 310 1 1 . 1 1 71 71 GLU CA C 71 56.654 56.654 57.399 -0.745 19632 311 1 1 . 1 1 71 71 GLU CB C 71 30.938 30.938 30.533 0.405 19632 312 1 1 . 1 1 71 71 GLU H H 71 7.386 7.386 7.205 0.181 19632 313 1 1 . 1 1 72 72 ILE N N 72 115.759 115.759 117.640 -1.881 19632 314 1 1 . 1 1 72 72 ILE HA H 72 3.324 3.324 3.719 -0.395 19632 315 1 1 . 1 1 72 72 ILE CA C 72 64.205 64.205 64.091 0.115 19632 316 1 1 . 1 1 72 72 ILE CB C 72 38.012 38.012 37.861 0.151 19632 317 1 1 . 1 1 72 72 ILE H H 72 6.754 6.754 7.765 -1.011 19632 318 1 1 . 1 1 73 73 PHE N N 73 115.942 115.942 117.338 -1.396 19632 319 1 1 . 1 1 73 73 PHE HA H 73 4.248 4.248 3.784 0.464 19632 320 1 1 . 1 1 73 73 PHE CA C 73 56.514 56.514 56.687 -0.173 19632 321 1 1 . 1 1 73 73 PHE CB C 73 38.479 38.479 37.346 1.133 19632 322 1 1 . 1 1 73 73 PHE H H 73 7.388 7.388 7.670 -0.282 19632 323 1 1 . 1 1 74 74 SER N N 74 114.787 114.787 115.075 -0.288 19632 324 1 1 . 1 1 74 74 SER HA H 74 4.358 4.358 4.344 0.014 19632 325 1 1 . 1 1 74 74 SER CA C 74 58.265 58.265 59.466 -1.201 19632 326 1 1 . 1 1 74 74 SER CB C 74 63.783 63.783 63.684 0.099 19632 327 1 1 . 1 1 74 74 SER H H 74 7.203 7.203 7.394 -0.191 19632 328 1 2 . 1 1 2 2 ALA HA H 2 4.290 4.290 4.513 -0.223 19632 329 1 2 . 1 1 2 2 ALA CA C 2 53.589 53.589 51.991 1.598 19632 330 1 2 . 1 1 2 2 ALA CB C 2 19.556 19.556 18.828 0.728 19632 331 1 2 . 1 1 5 5 ASP N N 5 116.992 116.992 120.713 -3.721 19632 332 1 2 . 1 1 5 5 ASP HA H 5 4.622 4.622 4.709 -0.087 19632 333 1 2 . 1 1 5 5 ASP CA C 5 54.508 54.508 53.558 0.950 19632 334 1 2 . 1 1 5 5 ASP CB C 5 41.375 41.375 41.135 0.240 19632 335 1 2 . 1 1 5 5 ASP H H 5 8.372 8.372 8.290 0.082 19632 336 1 2 . 1 1 6 6 ALA N N 6 124.275 124.275 128.719 -4.444 19632 337 1 2 . 1 1 6 6 ALA HA H 6 4.582 4.582 4.376 0.206 19632 338 1 2 . 1 1 6 6 ALA CA C 6 48.068 48.068 50.626 -2.558 19632 339 1 2 . 1 1 6 6 ALA CB C 6 18.765 18.765 18.908 -0.143 19632 340 1 2 . 1 1 6 6 ALA H H 6 7.984 7.984 8.345 -0.361 19632 341 1 2 . 1 1 7 7 PRO HA H 7 4.486 4.486 4.512 -0.026 19632 342 1 2 . 1 1 7 7 PRO CA C 7 63.406 63.406 62.056 1.351 19632 343 1 2 . 1 1 7 7 PRO CB C 7 32.491 32.491 32.745 -0.254 19632 344 1 2 . 1 1 8 8 SER N N 8 115.947 115.947 115.214 0.733 19632 345 1 2 . 1 1 8 8 SER HA H 8 4.483 4.483 4.403 0.080 19632 346 1 2 . 1 1 8 8 SER CA C 8 58.635 58.635 59.513 -0.878 19632 347 1 2 . 1 1 8 8 SER CB C 8 64.447 64.447 63.253 1.194 19632 348 1 2 . 1 1 8 8 SER H H 8 8.424 8.424 8.261 0.163 19632 349 1 2 . 1 1 9 9 GLY N N 9 109.902 109.902 111.248 -1.346 19632 350 1 2 . 1 1 9 9 GLY CA C 9 45.804 45.804 44.830 0.974 19632 351 1 2 . 1 1 9 9 GLY H H 9 8.352 8.352 8.606 -0.254 19632 352 1 2 . 1 1 10 10 GLU N N 10 119.364 119.364 120.012 -0.648 19632 353 1 2 . 1 1 10 10 GLU HA H 10 4.808 4.808 4.618 0.190 19632 354 1 2 . 1 1 10 10 GLU CA C 10 53.481 53.481 53.051 0.430 19632 355 1 2 . 1 1 10 10 GLU CB C 10 30.956 30.956 29.435 1.521 19632 356 1 2 . 1 1 10 10 GLU H H 10 8.071 8.071 8.105 -0.035 19632 357 1 2 . 1 1 11 11 PRO HA H 11 5.012 5.012 4.918 0.094 19632 358 1 2 . 1 1 11 11 PRO CA C 11 63.350 63.350 62.380 0.970 19632 359 1 2 . 1 1 11 11 PRO CB C 11 34.176 34.176 32.269 1.907 19632 360 1 2 . 1 1 12 12 ASP N N 12 122.007 122.007 125.097 -3.090 19632 361 1 2 . 1 1 12 12 ASP HA H 12 5.030 5.030 4.645 0.385 19632 362 1 2 . 1 1 12 12 ASP CA C 12 53.249 53.249 53.159 0.090 19632 363 1 2 . 1 1 12 12 ASP CB C 12 45.006 45.006 42.789 2.217 19632 364 1 2 . 1 1 12 12 ASP H H 12 9.396 9.396 8.518 0.878 19632 365 1 2 . 1 1 13 13 VAL N N 13 120.517 120.517 122.387 -1.870 19632 366 1 2 . 1 1 13 13 VAL HA H 13 5.090 5.090 4.736 0.354 19632 367 1 2 . 1 1 13 13 VAL CA C 13 59.653 59.653 59.728 -0.076 19632 368 1 2 . 1 1 13 13 VAL CB C 13 35.347 35.347 33.483 1.864 19632 369 1 2 . 1 1 13 13 VAL H H 13 8.402 8.402 8.325 0.077 19632 370 1 2 . 1 1 14 14 THR N N 14 122.388 122.388 125.973 -3.585 19632 371 1 2 . 1 1 14 14 THR HA H 14 4.465 4.465 4.392 0.073 19632 372 1 2 . 1 1 14 14 THR CA C 14 61.591 61.591 62.191 -0.601 19632 373 1 2 . 1 1 14 14 THR CB C 14 71.537 71.537 69.190 2.347 19632 374 1 2 . 1 1 14 14 THR H H 14 8.397 8.397 8.744 -0.347 19632 375 1 2 . 1 1 15 15 ILE N N 15 125.929 125.929 128.766 -2.837 19632 376 1 2 . 1 1 15 15 ILE HA H 15 4.882 4.882 4.046 0.836 19632 377 1 2 . 1 1 15 15 ILE CA C 15 60.655 60.655 61.169 -0.513 19632 378 1 2 . 1 1 15 15 ILE CB C 15 40.004 40.004 38.061 1.943 19632 379 1 2 . 1 1 15 15 ILE H H 15 8.628 8.628 8.655 -0.027 19632 380 1 2 . 1 1 16 16 ARG N N 16 125.332 125.332 128.763 -3.431 19632 381 1 2 . 1 1 16 16 ARG HA H 16 4.662 4.662 4.723 -0.061 19632 382 1 2 . 1 1 16 16 ARG CA C 16 54.731 54.731 52.951 1.780 19632 383 1 2 . 1 1 16 16 ARG CB C 16 33.731 33.731 33.596 0.135 19632 384 1 2 . 1 1 16 16 ARG H H 16 9.057 9.057 8.534 0.523 19632 385 1 2 . 1 1 17 17 GLN N N 17 121.044 121.044 120.417 0.627 19632 386 1 2 . 1 1 17 17 GLN HA H 17 4.803 4.803 4.914 -0.111 19632 387 1 2 . 1 1 17 17 GLN CA C 17 55.241 55.241 55.165 0.076 19632 388 1 2 . 1 1 17 17 GLN CB C 17 30.461 30.461 31.053 -0.592 19632 389 1 2 . 1 1 17 17 GLN H H 17 8.508 8.508 8.594 -0.086 19632 390 1 2 . 1 1 18 18 GLU N N 18 125.409 125.409 126.156 -0.747 19632 391 1 2 . 1 1 18 18 GLU HA H 18 4.529 4.529 4.506 0.023 19632 392 1 2 . 1 1 18 18 GLU CA C 18 55.018 55.018 54.690 0.328 19632 393 1 2 . 1 1 18 18 GLU CB C 18 31.654 31.654 28.486 3.167 19632 394 1 2 . 1 1 18 18 GLU H H 18 8.394 8.394 8.347 0.047 19632 395 1 2 . 1 1 19 19 GLY N N 19 114.286 114.286 114.158 0.128 19632 396 1 2 . 1 1 19 19 GLY CA C 19 47.887 47.887 45.602 2.285 19632 397 1 2 . 1 1 19 19 GLY H H 19 8.804 8.804 8.155 0.649 19632 398 1 2 . 1 1 20 20 ASP N N 20 124.137 124.137 125.559 -1.422 19632 399 1 2 . 1 1 20 20 ASP HA H 20 4.536 4.536 4.777 -0.241 19632 400 1 2 . 1 1 20 20 ASP CA C 20 54.019 54.019 54.333 -0.314 19632 401 1 2 . 1 1 20 20 ASP CB C 20 41.053 41.053 40.866 0.187 19632 402 1 2 . 1 1 20 20 ASP H H 20 8.519 8.519 8.649 -0.130 19632 403 1 2 . 1 1 21 21 LYS N N 21 116.711 116.711 118.946 -2.235 19632 404 1 2 . 1 1 21 21 LYS HA H 21 4.648 4.648 5.200 -0.552 19632 405 1 2 . 1 1 21 21 LYS CA C 21 55.468 55.468 54.336 1.132 19632 406 1 2 . 1 1 21 21 LYS CB C 21 34.941 34.941 34.114 0.827 19632 407 1 2 . 1 1 21 21 LYS H H 21 7.696 7.696 7.165 0.531 19632 408 1 2 . 1 1 22 22 THR N N 22 118.655 118.655 122.364 -3.709 19632 409 1 2 . 1 1 22 22 THR HA H 22 4.541 4.541 4.567 -0.026 19632 410 1 2 . 1 1 22 22 THR CA C 22 62.936 62.936 63.510 -0.574 19632 411 1 2 . 1 1 22 22 THR CB C 22 70.275 70.275 68.617 1.658 19632 412 1 2 . 1 1 22 22 THR H H 22 7.994 7.994 8.770 -0.776 19632 413 1 2 . 1 1 23 23 ILE N N 23 126.114 126.114 129.503 -3.389 19632 414 1 2 . 1 1 23 23 ILE HA H 23 4.699 4.699 4.031 0.668 19632 415 1 2 . 1 1 23 23 ILE CA C 23 59.119 59.119 60.711 -1.592 19632 416 1 2 . 1 1 23 23 ILE CB C 23 40.729 40.729 37.298 3.431 19632 417 1 2 . 1 1 23 23 ILE H H 23 8.957 8.957 8.986 -0.029 19632 418 1 2 . 1 1 24 24 GLN N N 24 123.560 123.560 127.904 -4.344 19632 419 1 2 . 1 1 24 24 GLN HA H 24 5.121 5.121 4.795 0.326 19632 420 1 2 . 1 1 24 24 GLN CA C 24 53.653 53.653 54.213 -0.560 19632 421 1 2 . 1 1 24 24 GLN CB C 24 30.573 30.573 30.195 0.378 19632 422 1 2 . 1 1 24 24 GLN H H 24 8.932 8.932 8.609 0.323 19632 423 1 2 . 1 1 25 25 GLU N N 25 122.651 122.651 124.975 -2.324 19632 424 1 2 . 1 1 25 25 GLU HA H 25 4.462 4.462 4.418 0.044 19632 425 1 2 . 1 1 25 25 GLU CA C 25 55.548 55.548 55.561 -0.013 19632 426 1 2 . 1 1 25 25 GLU CB C 25 32.644 32.644 30.034 2.610 19632 427 1 2 . 1 1 25 25 GLU H H 25 8.987 8.987 8.769 0.218 19632 428 1 2 . 1 1 26 26 TYR N N 26 124.044 124.044 126.686 -2.642 19632 429 1 2 . 1 1 26 26 TYR HA H 26 4.756 4.756 4.393 0.363 19632 430 1 2 . 1 1 26 26 TYR CA C 26 58.317 58.317 58.860 -0.543 19632 431 1 2 . 1 1 26 26 TYR CB C 26 38.543 38.543 37.216 1.327 19632 432 1 2 . 1 1 26 26 TYR H H 26 8.930 8.930 8.725 0.205 19632 433 1 2 . 1 1 27 27 ARG N N 27 119.739 119.739 124.462 -4.723 19632 434 1 2 . 1 1 27 27 ARG HA H 27 5.657 5.657 5.158 0.499 19632 435 1 2 . 1 1 27 27 ARG CA C 27 53.860 53.860 54.675 -0.815 19632 436 1 2 . 1 1 27 27 ARG CB C 27 36.310 36.310 32.733 3.577 19632 437 1 2 . 1 1 27 27 ARG H H 27 8.496 8.496 8.913 -0.417 19632 438 1 2 . 1 1 28 28 VAL N N 28 115.698 115.698 122.778 -7.080 19632 439 1 2 . 1 1 28 28 VAL HA H 28 4.526 4.526 4.166 0.360 19632 440 1 2 . 1 1 28 28 VAL CA C 28 60.002 60.002 64.988 -4.986 19632 441 1 2 . 1 1 28 28 VAL CB C 28 34.889 34.889 32.919 1.970 19632 442 1 2 . 1 1 28 28 VAL H H 28 8.716 8.716 8.325 0.391 19632 443 1 2 . 1 1 29 29 ASN N N 29 128.827 128.827 116.612 12.215 19632 444 1 2 . 1 1 29 29 ASN HA H 29 4.309 4.309 4.803 -0.494 19632 445 1 2 . 1 1 29 29 ASN CA C 29 54.385 54.385 52.906 1.479 19632 446 1 2 . 1 1 29 29 ASN CB C 29 38.270 38.270 38.591 -0.321 19632 447 1 2 . 1 1 29 29 ASN H H 29 9.605 9.605 8.257 1.348 19632 448 1 2 . 1 1 30 30 GLY N N 30 103.111 103.111 108.414 -5.303 19632 449 1 2 . 1 1 30 30 GLY CA C 30 45.901 45.901 45.401 0.500 19632 450 1 2 . 1 1 30 30 GLY H H 30 8.784 8.784 8.692 0.092 19632 451 1 2 . 1 1 31 31 PHE N N 31 123.693 123.693 122.361 1.332 19632 452 1 2 . 1 1 31 31 PHE HA H 31 4.529 4.529 4.852 -0.323 19632 453 1 2 . 1 1 31 31 PHE CA C 31 57.924 57.924 56.748 1.176 19632 454 1 2 . 1 1 31 31 PHE CB C 31 40.207 40.207 40.346 -0.139 19632 455 1 2 . 1 1 31 31 PHE H H 31 8.191 8.191 7.778 0.413 19632 456 1 2 . 1 1 32 32 LEU N N 32 130.348 130.348 129.309 1.039 19632 457 1 2 . 1 1 32 32 LEU HA H 32 4.427 4.427 4.266 0.161 19632 458 1 2 . 1 1 32 32 LEU CA C 32 55.517 55.517 54.700 0.817 19632 459 1 2 . 1 1 32 32 LEU CB C 32 42.468 42.468 41.446 1.022 19632 460 1 2 . 1 1 32 32 LEU H H 32 8.171 8.171 8.102 0.069 19632 461 1 2 . 1 1 33 33 TYR N N 33 124.923 124.923 123.353 1.570 19632 462 1 2 . 1 1 33 33 TYR HA H 33 4.557 4.557 4.866 -0.309 19632 463 1 2 . 1 1 33 33 TYR CA C 33 56.404 56.404 56.955 -0.551 19632 464 1 2 . 1 1 33 33 TYR CB C 33 39.131 39.131 39.679 -0.548 19632 465 1 2 . 1 1 33 33 TYR H H 33 8.415 8.415 8.795 -0.380 19632 466 1 2 . 1 1 34 34 ALA N N 34 120.211 120.211 120.725 -0.514 19632 467 1 2 . 1 1 34 34 ALA HA H 34 5.528 5.528 5.428 0.100 19632 468 1 2 . 1 1 34 34 ALA CA C 34 52.196 52.196 51.306 0.890 19632 469 1 2 . 1 1 34 34 ALA CB C 34 22.633 22.633 22.101 0.532 19632 470 1 2 . 1 1 34 34 ALA H H 34 7.399 7.399 7.102 0.297 19632 471 1 2 . 1 1 35 35 ILE N N 35 118.197 118.197 122.929 -4.732 19632 472 1 2 . 1 1 35 35 ILE HA H 35 5.157 5.157 5.007 0.150 19632 473 1 2 . 1 1 35 35 ILE CA C 35 60.000 60.000 60.131 -0.131 19632 474 1 2 . 1 1 35 35 ILE CB C 35 43.639 43.639 40.624 3.015 19632 475 1 2 . 1 1 35 35 ILE H H 35 9.224 9.224 8.837 0.387 19632 476 1 2 . 1 1 36 36 LYS N N 36 127.872 127.872 129.571 -1.699 19632 477 1 2 . 1 1 36 36 LYS HA H 36 4.204 4.204 4.597 -0.393 19632 478 1 2 . 1 1 36 36 LYS CA C 36 55.245 55.245 54.772 0.473 19632 479 1 2 . 1 1 36 36 LYS CB C 36 36.092 36.092 33.735 2.357 19632 480 1 2 . 1 1 36 36 LYS H H 36 9.708 9.708 8.690 1.018 19632 481 1 2 . 1 1 37 37 VAL N N 37 128.005 128.005 128.090 -0.085 19632 482 1 2 . 1 1 37 37 VAL HA H 37 4.043 4.043 4.318 -0.275 19632 483 1 2 . 1 1 37 37 VAL CA C 37 61.840 61.840 60.315 1.525 19632 484 1 2 . 1 1 37 37 VAL CB C 37 32.523 32.523 33.158 -0.636 19632 485 1 2 . 1 1 37 37 VAL H H 37 8.551 8.551 7.724 0.827 19632 486 1 2 . 1 1 38 38 VAL N N 38 125.034 125.034 129.812 -4.778 19632 487 1 2 . 1 1 38 38 VAL HA H 38 4.277 4.277 4.404 -0.127 19632 488 1 2 . 1 1 38 38 VAL CA C 38 59.287 59.287 58.700 0.586 19632 489 1 2 . 1 1 38 38 VAL CB C 38 32.568 32.568 31.846 0.722 19632 490 1 2 . 1 1 38 38 VAL H H 38 8.668 8.668 8.982 -0.314 19632 491 1 2 . 1 1 39 39 PRO HA H 39 4.565 4.565 4.957 -0.392 19632 492 1 2 . 1 1 39 39 PRO CA C 39 62.202 62.202 61.796 0.406 19632 493 1 2 . 1 1 39 39 PRO CB C 39 32.887 32.887 32.477 0.410 19632 494 1 2 . 1 1 40 40 LYS N N 40 121.622 121.622 122.567 -0.945 19632 495 1 2 . 1 1 40 40 LYS HA H 40 3.877 3.877 3.930 -0.053 19632 496 1 2 . 1 1 40 40 LYS CA C 40 58.950 58.950 57.994 0.956 19632 497 1 2 . 1 1 40 40 LYS CB C 40 32.988 32.988 32.350 0.638 19632 498 1 2 . 1 1 40 40 LYS H H 40 8.275 8.275 8.562 -0.287 19632 499 1 2 . 1 1 41 41 HIS N N 41 114.012 114.012 117.276 -3.264 19632 500 1 2 . 1 1 41 41 HIS HA H 41 4.795 4.795 4.690 0.105 19632 501 1 2 . 1 1 41 41 HIS CA C 41 54.904 54.904 55.126 -0.222 19632 502 1 2 . 1 1 41 41 HIS CB C 41 30.835 30.835 29.441 1.394 19632 503 1 2 . 1 1 41 41 HIS H H 41 8.040 8.040 7.895 0.145 19632 504 1 2 . 1 1 42 42 GLY N N 42 109.068 109.068 111.043 -1.975 19632 505 1 2 . 1 1 42 42 GLY CA C 42 44.482 44.482 44.666 -0.184 19632 506 1 2 . 1 1 42 42 GLY H H 42 7.966 7.966 8.626 -0.660 19632 507 1 2 . 1 1 43 43 LYS N N 43 120.287 120.287 119.176 1.111 19632 508 1 2 . 1 1 43 43 LYS HA H 43 4.680 4.680 4.109 0.571 19632 509 1 2 . 1 1 43 43 LYS CA C 43 54.392 54.392 55.964 -1.572 19632 510 1 2 . 1 1 43 43 LYS CB C 43 33.511 33.511 31.746 1.765 19632 511 1 2 . 1 1 43 43 LYS H H 43 8.209 8.209 7.720 0.489 19632 512 1 2 . 1 1 44 44 PRO HA H 44 5.013 5.013 4.875 0.138 19632 513 1 2 . 1 1 44 44 PRO CA C 44 62.744 62.744 63.039 -0.295 19632 514 1 2 . 1 1 44 44 PRO CB C 44 33.747 33.747 32.110 1.637 19632 515 1 2 . 1 1 45 45 TYR N N 45 115.140 115.140 117.509 -2.369 19632 516 1 2 . 1 1 45 45 TYR HA H 45 4.897 4.897 4.732 0.165 19632 517 1 2 . 1 1 45 45 TYR CA C 45 56.387 56.387 55.556 0.831 19632 518 1 2 . 1 1 45 45 TYR CB C 45 40.574 40.574 39.876 0.699 19632 519 1 2 . 1 1 45 45 TYR H H 45 8.176 8.176 8.345 -0.169 19632 520 1 2 . 1 1 46 46 PHE N N 46 115.001 115.001 117.996 -2.995 19632 521 1 2 . 1 1 46 46 PHE HA H 46 5.662 5.662 4.914 0.748 19632 522 1 2 . 1 1 46 46 PHE CA C 46 56.395 56.395 56.461 -0.066 19632 523 1 2 . 1 1 46 46 PHE CB C 46 43.736 43.736 41.556 2.180 19632 524 1 2 . 1 1 46 46 PHE H H 46 8.607 8.607 9.176 -0.569 19632 525 1 2 . 1 1 47 47 LEU N N 47 121.747 121.747 123.649 -1.902 19632 526 1 2 . 1 1 47 47 LEU HA H 47 5.339 5.339 5.168 0.171 19632 527 1 2 . 1 1 47 47 LEU CA C 47 54.116 54.116 53.979 0.137 19632 528 1 2 . 1 1 47 47 LEU CB C 47 44.357 44.357 43.218 1.139 19632 529 1 2 . 1 1 47 47 LEU H H 47 9.631 9.631 9.174 0.457 19632 530 1 2 . 1 1 48 48 VAL N N 48 122.850 122.850 125.199 -2.349 19632 531 1 2 . 1 1 48 48 VAL HA H 48 4.476 4.476 4.489 -0.013 19632 532 1 2 . 1 1 48 48 VAL CA C 48 61.559 61.559 61.430 0.129 19632 533 1 2 . 1 1 48 48 VAL CB C 48 35.232 35.232 32.371 2.861 19632 534 1 2 . 1 1 48 48 VAL H H 48 9.334 9.334 9.332 0.002 19632 535 1 2 . 1 1 49 49 ARG N N 49 129.488 129.488 128.855 0.633 19632 536 1 2 . 1 1 49 49 ARG HA H 49 3.045 3.045 3.614 -0.569 19632 537 1 2 . 1 1 49 49 ARG CA C 49 56.623 56.623 54.411 2.212 19632 538 1 2 . 1 1 49 49 ARG CB C 49 31.326 31.326 29.652 1.674 19632 539 1 2 . 1 1 49 49 ARG H H 49 8.451 8.451 8.550 -0.099 19632 540 1 2 . 1 1 50 50 ALA N N 50 131.016 131.016 129.824 1.192 19632 541 1 2 . 1 1 50 50 ALA HA H 50 4.418 4.418 4.165 0.253 19632 542 1 2 . 1 1 50 50 ALA CA C 50 51.502 51.502 52.182 -0.680 19632 543 1 2 . 1 1 50 50 ALA CB C 50 20.364 20.364 19.738 0.625 19632 544 1 2 . 1 1 50 50 ALA H H 50 8.524 8.524 8.306 0.218 19632 545 1 2 . 1 1 51 51 ASP N N 51 112.516 112.516 118.635 -6.119 19632 546 1 2 . 1 1 51 51 ASP HA H 51 4.413 4.413 4.436 -0.023 19632 547 1 2 . 1 1 51 51 ASP CA C 51 54.301 54.301 54.512 -0.211 19632 548 1 2 . 1 1 51 51 ASP CB C 51 41.710 41.710 41.419 0.291 19632 549 1 2 . 1 1 51 51 ASP H H 51 8.597 8.597 8.246 0.351 19632 550 1 2 . 1 1 52 52 GLY N N 52 106.147 106.147 107.350 -1.203 19632 551 1 2 . 1 1 52 52 GLY CA C 52 45.499 45.499 45.611 -0.112 19632 552 1 2 . 1 1 52 52 GLY H H 52 8.378 8.378 8.685 -0.307 19632 553 1 2 . 1 1 53 53 SER N N 53 115.000 115.000 112.934 2.066 19632 554 1 2 . 1 1 53 53 SER HA H 53 4.439 4.439 3.967 0.472 19632 555 1 2 . 1 1 53 53 SER CA C 53 60.282 60.282 59.008 1.274 19632 556 1 2 . 1 1 53 53 SER CB C 53 64.175 64.175 62.378 1.797 19632 557 1 2 . 1 1 53 53 SER H H 53 8.677 8.677 8.261 0.416 19632 558 1 2 . 1 1 54 54 ASP N N 54 119.220 119.220 122.578 -3.358 19632 559 1 2 . 1 1 54 54 ASP HA H 54 4.595 4.595 4.408 0.187 19632 560 1 2 . 1 1 54 54 ASP CA C 54 55.689 55.689 56.501 -0.812 19632 561 1 2 . 1 1 54 54 ASP CB C 54 41.326 41.326 41.346 -0.020 19632 562 1 2 . 1 1 54 54 ASP H H 54 8.364 8.364 7.767 0.597 19632 563 1 2 . 1 1 55 55 GLY N N 55 107.460 107.460 104.441 3.019 19632 564 1 2 . 1 1 55 55 GLY CA C 55 47.210 47.210 44.573 2.637 19632 565 1 2 . 1 1 55 55 GLY H H 55 7.801 7.801 8.458 -0.657 19632 566 1 2 . 1 1 56 56 ASN N N 56 116.076 116.076 120.744 -4.668 19632 567 1 2 . 1 1 56 56 ASN HA H 56 4.997 4.997 4.887 0.110 19632 568 1 2 . 1 1 56 56 ASN CA C 56 53.235 53.235 54.446 -1.211 19632 569 1 2 . 1 1 56 56 ASN CB C 56 41.540 41.540 39.913 1.627 19632 570 1 2 . 1 1 56 56 ASN H H 56 7.919 7.919 8.320 -0.401 19632 571 1 2 . 1 1 57 57 PHE N N 57 118.405 118.405 121.925 -3.520 19632 572 1 2 . 1 1 57 57 PHE HA H 57 5.043 5.043 5.456 -0.413 19632 573 1 2 . 1 1 57 57 PHE CA C 57 56.786 56.786 56.746 0.040 19632 574 1 2 . 1 1 57 57 PHE CB C 57 44.374 44.374 42.972 1.402 19632 575 1 2 . 1 1 57 57 PHE H H 57 9.203 9.203 8.086 1.117 19632 576 1 2 . 1 1 58 58 ILE N N 58 118.503 118.503 121.840 -3.337 19632 577 1 2 . 1 1 58 58 ILE HA H 58 4.507 4.507 4.555 -0.048 19632 578 1 2 . 1 1 58 58 ILE CA C 58 60.493 60.493 58.801 1.692 19632 579 1 2 . 1 1 58 58 ILE CB C 58 42.447 42.447 38.788 3.659 19632 580 1 2 . 1 1 58 58 ILE H H 58 9.222 9.222 9.199 0.023 19632 581 1 2 . 1 1 59 59 ARG N N 59 126.283 126.283 126.764 -0.481 19632 582 1 2 . 1 1 59 59 ARG HA H 59 5.111 5.111 5.227 -0.116 19632 583 1 2 . 1 1 59 59 ARG CA C 59 55.839 55.839 56.252 -0.413 19632 584 1 2 . 1 1 59 59 ARG CB C 59 32.157 32.157 30.942 1.215 19632 585 1 2 . 1 1 59 59 ARG H H 59 9.298 9.298 8.818 0.480 19632 586 1 2 . 1 1 60 60 SER N N 60 119.913 119.913 120.489 -0.576 19632 587 1 2 . 1 1 60 60 SER HA H 60 3.887 3.887 4.258 -0.371 19632 588 1 2 . 1 1 60 60 SER CA C 60 62.373 62.373 61.369 1.004 19632 589 1 2 . 1 1 60 60 SER CB C 60 62.777 62.777 63.458 -0.681 19632 590 1 2 . 1 1 60 60 SER H H 60 9.698 9.698 9.052 0.646 19632 591 1 2 . 1 1 61 61 ASP N N 61 117.504 117.504 121.075 -3.571 19632 592 1 2 . 1 1 61 61 ASP HA H 61 4.764 4.764 4.512 0.252 19632 593 1 2 . 1 1 61 61 ASP CA C 61 53.789 53.789 56.494 -2.705 19632 594 1 2 . 1 1 61 61 ASP CB C 61 40.082 40.082 41.243 -1.161 19632 595 1 2 . 1 1 61 61 ASP H H 61 8.769 8.769 8.652 0.117 19632 596 1 2 . 1 1 62 62 GLN N N 62 118.595 118.595 116.453 2.142 19632 597 1 2 . 1 1 62 62 GLN HA H 62 4.779 4.779 4.789 -0.010 19632 598 1 2 . 1 1 62 62 GLN CA C 62 54.066 54.066 53.359 0.707 19632 599 1 2 . 1 1 62 62 GLN CB C 62 30.309 30.309 28.706 1.603 19632 600 1 2 . 1 1 62 62 GLN H H 62 7.467 7.467 8.074 -0.607 19632 601 1 2 . 1 1 63 63 PRO HA H 63 4.662 4.662 4.540 0.122 19632 602 1 2 . 1 1 63 63 PRO CB C 63 32.293 32.293 32.075 0.218 19632 603 1 2 . 1 1 64 64 ASP N N 64 116.697 116.697 115.219 1.478 19632 604 1 2 . 1 1 64 64 ASP HA H 64 4.662 4.662 4.520 0.142 19632 605 1 2 . 1 1 64 64 ASP CA C 64 54.449 54.449 55.013 -0.564 19632 606 1 2 . 1 1 64 64 ASP CB C 64 41.201 41.201 41.032 0.169 19632 607 1 2 . 1 1 64 64 ASP H H 64 8.389 8.389 8.302 0.087 19632 608 1 2 . 1 1 65 65 LYS N N 65 119.781 119.781 119.956 -0.175 19632 609 1 2 . 1 1 65 65 LYS HA H 65 4.547 4.547 4.587 -0.040 19632 610 1 2 . 1 1 65 65 LYS CA C 65 55.469 55.469 55.056 0.413 19632 611 1 2 . 1 1 65 65 LYS CB C 65 34.796 34.796 33.293 1.503 19632 612 1 2 . 1 1 65 65 LYS H H 65 7.592 7.592 7.508 0.084 19632 613 1 2 . 1 1 66 66 LEU N N 66 125.131 125.131 125.718 -0.587 19632 614 1 2 . 1 1 66 66 LEU HA H 66 4.708 4.708 4.485 0.223 19632 615 1 2 . 1 1 66 66 LEU CA C 66 54.496 54.496 54.716 -0.220 19632 616 1 2 . 1 1 66 66 LEU CB C 66 44.010 44.010 42.745 1.265 19632 617 1 2 . 1 1 66 66 LEU H H 66 8.300 8.300 8.488 -0.188 19632 618 1 2 . 1 1 67 67 ILE N N 67 124.524 124.524 125.122 -0.598 19632 619 1 2 . 1 1 67 67 ILE HA H 67 4.447 4.447 4.440 0.007 19632 620 1 2 . 1 1 67 67 ILE CA C 67 57.824 57.824 57.106 0.718 19632 621 1 2 . 1 1 67 67 ILE CB C 67 40.744 40.744 38.594 2.150 19632 622 1 2 . 1 1 67 67 ILE H H 67 9.427 9.427 8.583 0.844 19632 623 1 2 . 1 1 68 68 PRO HA H 68 4.649 4.649 4.279 0.370 19632 624 1 2 . 1 1 68 68 PRO CB C 68 32.644 32.644 31.915 0.729 19632 625 1 2 . 1 1 69 69 GLN N N 69 119.126 119.126 118.232 0.894 19632 626 1 2 . 1 1 69 69 GLN HA H 69 3.730 3.730 4.234 -0.504 19632 627 1 2 . 1 1 69 69 GLN CA C 69 59.447 59.447 57.801 1.645 19632 628 1 2 . 1 1 69 69 GLN CB C 69 28.819 28.819 28.956 -0.137 19632 629 1 2 . 1 1 69 69 GLN H H 69 8.386 8.386 8.439 -0.053 19632 630 1 2 . 1 1 70 70 TRP N N 70 112.076 112.076 115.212 -3.136 19632 631 1 2 . 1 1 70 70 TRP HA H 70 4.525 4.525 4.705 -0.180 19632 632 1 2 . 1 1 70 70 TRP CA C 70 58.197 58.197 56.746 1.451 19632 633 1 2 . 1 1 70 70 TRP CB C 70 28.016 28.016 29.496 -1.480 19632 634 1 2 . 1 1 70 70 TRP H H 70 6.972 6.972 7.458 -0.486 19632 635 1 2 . 1 1 71 71 GLU N N 71 119.388 119.388 118.059 1.329 19632 636 1 2 . 1 1 71 71 GLU HA H 71 4.249 4.249 4.140 0.109 19632 637 1 2 . 1 1 71 71 GLU CA C 71 56.654 56.654 55.017 1.637 19632 638 1 2 . 1 1 71 71 GLU CB C 71 30.938 30.938 30.591 0.347 19632 639 1 2 . 1 1 71 71 GLU H H 71 7.386 7.386 7.066 0.320 19632 640 1 2 . 1 1 72 72 ILE N N 72 115.759 115.759 115.050 0.709 19632 641 1 2 . 1 1 72 72 ILE HA H 72 3.324 3.324 3.922 -0.598 19632 642 1 2 . 1 1 72 72 ILE CA C 72 64.205 64.205 62.900 1.305 19632 643 1 2 . 1 1 72 72 ILE CB C 72 38.012 38.012 37.764 0.248 19632 644 1 2 . 1 1 72 72 ILE H H 72 6.754 6.754 7.279 -0.525 19632 645 1 2 . 1 1 73 73 PHE N N 73 115.942 115.942 113.336 2.606 19632 646 1 2 . 1 1 73 73 PHE HA H 73 4.248 4.248 3.467 0.781 19632 647 1 2 . 1 1 73 73 PHE CA C 73 56.514 56.514 54.478 2.036 19632 648 1 2 . 1 1 73 73 PHE CB C 73 38.479 38.479 37.870 0.609 19632 649 1 2 . 1 1 73 73 PHE H H 73 7.388 7.388 6.791 0.597 19632 650 1 2 . 1 1 74 74 SER N N 74 114.787 114.787 117.022 -2.235 19632 651 1 2 . 1 1 74 74 SER HA H 74 4.358 4.358 3.954 0.404 19632 652 1 2 . 1 1 74 74 SER CA C 74 58.265 58.265 60.976 -2.711 19632 653 1 2 . 1 1 74 74 SER CB C 74 63.783 63.783 63.047 0.736 19632 654 1 2 . 1 1 74 74 SER H H 74 7.203 7.203 7.629 -0.426 19632 655 1 3 . 1 1 2 2 ALA HA H 2 4.290 4.290 4.403 -0.113 19632 656 1 3 . 1 1 2 2 ALA CA C 2 53.589 53.589 52.536 1.052 19632 657 1 3 . 1 1 2 2 ALA CB C 2 19.556 19.556 19.494 0.062 19632 658 1 3 . 1 1 5 5 ASP N N 5 116.992 116.992 120.280 -3.288 19632 659 1 3 . 1 1 5 5 ASP HA H 5 4.622 4.622 4.351 0.271 19632 660 1 3 . 1 1 5 5 ASP CA C 5 54.508 54.508 54.971 -0.463 19632 661 1 3 . 1 1 5 5 ASP CB C 5 41.375 41.375 40.589 0.786 19632 662 1 3 . 1 1 5 5 ASP H H 5 8.372 8.372 8.560 -0.188 19632 663 1 3 . 1 1 6 6 ALA N N 6 124.275 124.275 123.203 1.072 19632 664 1 3 . 1 1 6 6 ALA HA H 6 4.582 4.582 4.667 -0.085 19632 665 1 3 . 1 1 6 6 ALA CA C 6 48.068 48.068 50.571 -2.503 19632 666 1 3 . 1 1 6 6 ALA CB C 6 18.765 18.765 20.229 -1.464 19632 667 1 3 . 1 1 6 6 ALA H H 6 7.984 7.984 8.083 -0.099 19632 668 1 3 . 1 1 7 7 PRO HA H 7 4.486 4.486 4.550 -0.064 19632 669 1 3 . 1 1 7 7 PRO CA C 7 63.406 63.406 62.423 0.982 19632 670 1 3 . 1 1 7 7 PRO CB C 7 32.491 32.491 32.779 -0.288 19632 671 1 3 . 1 1 8 8 SER N N 8 115.947 115.947 116.139 -0.192 19632 672 1 3 . 1 1 8 8 SER HA H 8 4.483 4.483 4.403 0.080 19632 673 1 3 . 1 1 8 8 SER CA C 8 58.635 58.635 58.123 0.512 19632 674 1 3 . 1 1 8 8 SER CB C 8 64.447 64.447 63.289 1.158 19632 675 1 3 . 1 1 8 8 SER H H 8 8.424 8.424 8.349 0.075 19632 676 1 3 . 1 1 9 9 GLY N N 9 109.902 109.902 113.113 -3.211 19632 677 1 3 . 1 1 9 9 GLY CA C 9 45.804 45.804 45.129 0.675 19632 678 1 3 . 1 1 9 9 GLY H H 9 8.352 8.352 8.601 -0.249 19632 679 1 3 . 1 1 10 10 GLU N N 10 119.364 119.364 121.076 -1.712 19632 680 1 3 . 1 1 10 10 GLU HA H 10 4.808 4.808 4.697 0.111 19632 681 1 3 . 1 1 10 10 GLU CA C 10 53.481 53.481 52.498 0.983 19632 682 1 3 . 1 1 10 10 GLU CB C 10 30.956 30.956 30.217 0.739 19632 683 1 3 . 1 1 10 10 GLU H H 10 8.071 8.071 8.308 -0.237 19632 684 1 3 . 1 1 11 11 PRO HA H 11 5.012 5.012 4.698 0.314 19632 685 1 3 . 1 1 11 11 PRO CA C 11 63.350 63.350 62.483 0.867 19632 686 1 3 . 1 1 11 11 PRO CB C 11 34.176 34.176 32.138 2.038 19632 687 1 3 . 1 1 12 12 ASP N N 12 122.007 122.007 124.526 -2.519 19632 688 1 3 . 1 1 12 12 ASP HA H 12 5.030 5.030 4.845 0.185 19632 689 1 3 . 1 1 12 12 ASP CA C 12 53.249 53.249 53.480 -0.230 19632 690 1 3 . 1 1 12 12 ASP CB C 12 45.006 45.006 44.379 0.627 19632 691 1 3 . 1 1 12 12 ASP H H 12 9.396 9.396 8.254 1.142 19632 692 1 3 . 1 1 13 13 VAL N N 13 120.517 120.517 119.389 1.128 19632 693 1 3 . 1 1 13 13 VAL HA H 13 5.090 5.090 4.486 0.604 19632 694 1 3 . 1 1 13 13 VAL CA C 13 59.653 59.653 59.710 -0.057 19632 695 1 3 . 1 1 13 13 VAL CB C 13 35.347 35.347 34.283 1.064 19632 696 1 3 . 1 1 13 13 VAL H H 13 8.402 8.402 8.242 0.160 19632 697 1 3 . 1 1 14 14 THR N N 14 122.388 122.388 125.225 -2.837 19632 698 1 3 . 1 1 14 14 THR HA H 14 4.465 4.465 4.448 0.017 19632 699 1 3 . 1 1 14 14 THR CA C 14 61.591 61.591 62.151 -0.560 19632 700 1 3 . 1 1 14 14 THR CB C 14 71.537 71.537 69.076 2.461 19632 701 1 3 . 1 1 14 14 THR H H 14 8.397 8.397 8.900 -0.503 19632 702 1 3 . 1 1 15 15 ILE N N 15 125.929 125.929 128.479 -2.550 19632 703 1 3 . 1 1 15 15 ILE HA H 15 4.882 4.882 3.985 0.897 19632 704 1 3 . 1 1 15 15 ILE CA C 15 60.655 60.655 61.442 -0.787 19632 705 1 3 . 1 1 15 15 ILE CB C 15 40.004 40.004 37.322 2.682 19632 706 1 3 . 1 1 15 15 ILE H H 15 8.628 8.628 8.653 -0.025 19632 707 1 3 . 1 1 16 16 ARG N N 16 125.332 125.332 128.883 -3.551 19632 708 1 3 . 1 1 16 16 ARG HA H 16 4.662 4.662 4.692 -0.030 19632 709 1 3 . 1 1 16 16 ARG CA C 16 54.731 54.731 53.142 1.589 19632 710 1 3 . 1 1 16 16 ARG CB C 16 33.731 33.731 32.856 0.875 19632 711 1 3 . 1 1 16 16 ARG H H 16 9.057 9.057 8.414 0.643 19632 712 1 3 . 1 1 17 17 GLN N N 17 121.044 121.044 119.671 1.373 19632 713 1 3 . 1 1 17 17 GLN HA H 17 4.803 4.803 4.717 0.086 19632 714 1 3 . 1 1 17 17 GLN CA C 17 55.241 55.241 55.308 -0.067 19632 715 1 3 . 1 1 17 17 GLN CB C 17 30.461 30.461 31.661 -1.200 19632 716 1 3 . 1 1 17 17 GLN H H 17 8.508 8.508 8.512 -0.004 19632 717 1 3 . 1 1 18 18 GLU N N 18 125.409 125.409 126.210 -0.801 19632 718 1 3 . 1 1 18 18 GLU HA H 18 4.529 4.529 4.605 -0.076 19632 719 1 3 . 1 1 18 18 GLU CA C 18 55.018 55.018 54.741 0.277 19632 720 1 3 . 1 1 18 18 GLU CB C 18 31.654 31.654 29.613 2.041 19632 721 1 3 . 1 1 18 18 GLU H H 18 8.394 8.394 8.524 -0.130 19632 722 1 3 . 1 1 19 19 GLY N N 19 114.286 114.286 116.660 -2.374 19632 723 1 3 . 1 1 19 19 GLY CA C 19 47.887 47.887 46.699 1.188 19632 724 1 3 . 1 1 19 19 GLY H H 19 8.804 8.804 8.601 0.203 19632 725 1 3 . 1 1 20 20 ASP N N 20 124.137 124.137 125.416 -1.279 19632 726 1 3 . 1 1 20 20 ASP HA H 20 4.536 4.536 4.821 -0.285 19632 727 1 3 . 1 1 20 20 ASP CA C 20 54.019 54.019 54.053 -0.034 19632 728 1 3 . 1 1 20 20 ASP CB C 20 41.053 41.053 41.232 -0.179 19632 729 1 3 . 1 1 20 20 ASP H H 20 8.519 8.519 8.440 0.079 19632 730 1 3 . 1 1 21 21 LYS N N 21 116.711 116.711 120.260 -3.549 19632 731 1 3 . 1 1 21 21 LYS HA H 21 4.648 4.648 4.985 -0.337 19632 732 1 3 . 1 1 21 21 LYS CA C 21 55.468 55.468 54.502 0.966 19632 733 1 3 . 1 1 21 21 LYS CB C 21 34.941 34.941 33.443 1.498 19632 734 1 3 . 1 1 21 21 LYS H H 21 7.696 7.696 7.662 0.034 19632 735 1 3 . 1 1 22 22 THR N N 22 118.655 118.655 123.312 -4.657 19632 736 1 3 . 1 1 22 22 THR HA H 22 4.541 4.541 4.461 0.080 19632 737 1 3 . 1 1 22 22 THR CA C 22 62.936 62.936 63.162 -0.226 19632 738 1 3 . 1 1 22 22 THR CB C 22 70.275 70.275 68.092 2.183 19632 739 1 3 . 1 1 22 22 THR H H 22 7.994 7.994 8.682 -0.688 19632 740 1 3 . 1 1 23 23 ILE N N 23 126.114 126.114 129.473 -3.359 19632 741 1 3 . 1 1 23 23 ILE HA H 23 4.699 4.699 3.964 0.735 19632 742 1 3 . 1 1 23 23 ILE CA C 23 59.119 59.119 60.810 -1.691 19632 743 1 3 . 1 1 23 23 ILE CB C 23 40.729 40.729 36.815 3.914 19632 744 1 3 . 1 1 23 23 ILE H H 23 8.957 8.957 8.136 0.821 19632 745 1 3 . 1 1 24 24 GLN N N 24 123.560 123.560 128.251 -4.691 19632 746 1 3 . 1 1 24 24 GLN HA H 24 5.121 5.121 4.718 0.403 19632 747 1 3 . 1 1 24 24 GLN CA C 24 53.653 53.653 54.517 -0.864 19632 748 1 3 . 1 1 24 24 GLN CB C 24 30.573 30.573 29.446 1.127 19632 749 1 3 . 1 1 24 24 GLN H H 24 8.932 8.932 8.949 -0.017 19632 750 1 3 . 1 1 25 25 GLU N N 25 122.651 122.651 125.147 -2.496 19632 751 1 3 . 1 1 25 25 GLU HA H 25 4.462 4.462 4.459 0.003 19632 752 1 3 . 1 1 25 25 GLU CA C 25 55.548 55.548 55.486 0.062 19632 753 1 3 . 1 1 25 25 GLU CB C 25 32.644 32.644 30.489 2.155 19632 754 1 3 . 1 1 25 25 GLU H H 25 8.987 8.987 8.981 0.006 19632 755 1 3 . 1 1 26 26 TYR N N 26 124.044 124.044 126.849 -2.805 19632 756 1 3 . 1 1 26 26 TYR HA H 26 4.756 4.756 4.668 0.088 19632 757 1 3 . 1 1 26 26 TYR CA C 26 58.317 58.317 58.622 -0.305 19632 758 1 3 . 1 1 26 26 TYR CB C 26 38.543 38.543 37.809 0.734 19632 759 1 3 . 1 1 26 26 TYR H H 26 8.930 8.930 8.942 -0.012 19632 760 1 3 . 1 1 27 27 ARG N N 27 119.739 119.739 124.344 -4.605 19632 761 1 3 . 1 1 27 27 ARG HA H 27 5.657 5.657 5.386 0.271 19632 762 1 3 . 1 1 27 27 ARG CA C 27 53.860 53.860 54.706 -0.846 19632 763 1 3 . 1 1 27 27 ARG CB C 27 36.310 36.310 33.295 3.015 19632 764 1 3 . 1 1 27 27 ARG H H 27 8.496 8.496 8.520 -0.024 19632 765 1 3 . 1 1 28 28 VAL N N 28 115.698 115.698 122.943 -7.245 19632 766 1 3 . 1 1 28 28 VAL HA H 28 4.526 4.526 4.381 0.145 19632 767 1 3 . 1 1 28 28 VAL CA C 28 60.002 60.002 62.630 -2.628 19632 768 1 3 . 1 1 28 28 VAL CB C 28 34.889 34.889 33.422 1.466 19632 769 1 3 . 1 1 28 28 VAL H H 28 8.716 8.716 8.474 0.242 19632 770 1 3 . 1 1 29 29 ASN N N 29 128.827 128.827 118.154 10.673 19632 771 1 3 . 1 1 29 29 ASN HA H 29 4.309 4.309 4.839 -0.530 19632 772 1 3 . 1 1 29 29 ASN CA C 29 54.385 54.385 53.728 0.657 19632 773 1 3 . 1 1 29 29 ASN CB C 29 38.270 38.270 38.561 -0.291 19632 774 1 3 . 1 1 29 29 ASN H H 29 9.605 9.605 8.126 1.479 19632 775 1 3 . 1 1 30 30 GLY N N 30 103.111 103.111 108.790 -5.679 19632 776 1 3 . 1 1 30 30 GLY CA C 30 45.901 45.901 45.616 0.285 19632 777 1 3 . 1 1 30 30 GLY H H 30 8.784 8.784 8.588 0.196 19632 778 1 3 . 1 1 31 31 PHE N N 31 123.693 123.693 119.996 3.697 19632 779 1 3 . 1 1 31 31 PHE HA H 31 4.529 4.529 4.792 -0.263 19632 780 1 3 . 1 1 31 31 PHE CA C 31 57.924 57.924 56.732 1.192 19632 781 1 3 . 1 1 31 31 PHE CB C 31 40.207 40.207 41.586 -1.379 19632 782 1 3 . 1 1 31 31 PHE H H 31 8.191 8.191 7.641 0.550 19632 783 1 3 . 1 1 32 32 LEU N N 32 130.348 130.348 130.021 0.327 19632 784 1 3 . 1 1 32 32 LEU HA H 32 4.427 4.427 4.485 -0.058 19632 785 1 3 . 1 1 32 32 LEU CA C 32 55.517 55.517 54.172 1.345 19632 786 1 3 . 1 1 32 32 LEU CB C 32 42.468 42.468 41.387 1.081 19632 787 1 3 . 1 1 32 32 LEU H H 32 8.171 8.171 8.329 -0.158 19632 788 1 3 . 1 1 33 33 TYR N N 33 124.923 124.923 119.966 4.957 19632 789 1 3 . 1 1 33 33 TYR HA H 33 4.557 4.557 4.603 -0.046 19632 790 1 3 . 1 1 33 33 TYR CA C 33 56.404 56.404 56.274 0.130 19632 791 1 3 . 1 1 33 33 TYR CB C 33 39.131 39.131 39.861 -0.730 19632 792 1 3 . 1 1 33 33 TYR H H 33 8.415 8.415 8.159 0.256 19632 793 1 3 . 1 1 34 34 ALA N N 34 120.211 120.211 120.747 -0.536 19632 794 1 3 . 1 1 34 34 ALA HA H 34 5.528 5.528 5.425 0.103 19632 795 1 3 . 1 1 34 34 ALA CA C 34 52.196 52.196 51.430 0.766 19632 796 1 3 . 1 1 34 34 ALA CB C 34 22.633 22.633 22.055 0.578 19632 797 1 3 . 1 1 34 34 ALA H H 34 7.399 7.399 7.090 0.309 19632 798 1 3 . 1 1 35 35 ILE N N 35 118.197 118.197 122.388 -4.191 19632 799 1 3 . 1 1 35 35 ILE HA H 35 5.157 5.157 4.902 0.255 19632 800 1 3 . 1 1 35 35 ILE CA C 35 60.000 60.000 60.048 -0.048 19632 801 1 3 . 1 1 35 35 ILE CB C 35 43.639 43.639 41.225 2.414 19632 802 1 3 . 1 1 35 35 ILE H H 35 9.224 9.224 8.890 0.334 19632 803 1 3 . 1 1 36 36 LYS N N 36 127.872 127.872 128.808 -0.936 19632 804 1 3 . 1 1 36 36 LYS HA H 36 4.204 4.204 4.625 -0.421 19632 805 1 3 . 1 1 36 36 LYS CA C 36 55.245 55.245 54.468 0.777 19632 806 1 3 . 1 1 36 36 LYS CB C 36 36.092 36.092 33.874 2.218 19632 807 1 3 . 1 1 36 36 LYS H H 36 9.708 9.708 8.943 0.765 19632 808 1 3 . 1 1 37 37 VAL N N 37 128.005 128.005 127.798 0.207 19632 809 1 3 . 1 1 37 37 VAL HA H 37 4.043 4.043 3.997 0.046 19632 810 1 3 . 1 1 37 37 VAL CA C 37 61.840 61.840 61.667 0.173 19632 811 1 3 . 1 1 37 37 VAL CB C 37 32.523 32.523 31.986 0.537 19632 812 1 3 . 1 1 37 37 VAL H H 37 8.551 8.551 8.005 0.546 19632 813 1 3 . 1 1 38 38 VAL N N 38 125.034 125.034 126.716 -1.682 19632 814 1 3 . 1 1 38 38 VAL HA H 38 4.277 4.277 4.376 -0.099 19632 815 1 3 . 1 1 38 38 VAL CA C 38 59.287 59.287 58.353 0.934 19632 816 1 3 . 1 1 38 38 VAL CB C 38 32.568 32.568 31.284 1.284 19632 817 1 3 . 1 1 38 38 VAL H H 38 8.668 8.668 8.896 -0.228 19632 818 1 3 . 1 1 39 39 PRO HA H 39 4.565 4.565 5.020 -0.455 19632 819 1 3 . 1 1 39 39 PRO CA C 39 62.202 62.202 62.074 0.128 19632 820 1 3 . 1 1 39 39 PRO CB C 39 32.887 32.887 32.331 0.556 19632 821 1 3 . 1 1 40 40 LYS N N 40 121.622 121.622 124.040 -2.418 19632 822 1 3 . 1 1 40 40 LYS HA H 40 3.877 3.877 3.912 -0.035 19632 823 1 3 . 1 1 40 40 LYS CA C 40 58.950 58.950 59.042 -0.092 19632 824 1 3 . 1 1 40 40 LYS CB C 40 32.988 32.988 32.580 0.408 19632 825 1 3 . 1 1 40 40 LYS H H 40 8.275 8.275 8.743 -0.468 19632 826 1 3 . 1 1 41 41 HIS N N 41 114.012 114.012 117.208 -3.196 19632 827 1 3 . 1 1 41 41 HIS HA H 41 4.795 4.795 4.688 0.107 19632 828 1 3 . 1 1 41 41 HIS CA C 41 54.904 54.904 55.337 -0.432 19632 829 1 3 . 1 1 41 41 HIS CB C 41 30.835 30.835 29.163 1.672 19632 830 1 3 . 1 1 41 41 HIS H H 41 8.040 8.040 8.274 -0.234 19632 831 1 3 . 1 1 42 42 GLY N N 42 109.068 109.068 109.379 -0.311 19632 832 1 3 . 1 1 42 42 GLY CA C 42 44.482 44.482 45.164 -0.682 19632 833 1 3 . 1 1 42 42 GLY H H 42 7.966 7.966 8.210 -0.244 19632 834 1 3 . 1 1 43 43 LYS N N 43 120.287 120.287 119.275 1.012 19632 835 1 3 . 1 1 43 43 LYS HA H 43 4.680 4.680 4.104 0.576 19632 836 1 3 . 1 1 43 43 LYS CA C 43 54.392 54.392 56.264 -1.872 19632 837 1 3 . 1 1 43 43 LYS CB C 43 33.511 33.511 31.371 2.140 19632 838 1 3 . 1 1 43 43 LYS H H 43 8.209 8.209 8.225 -0.016 19632 839 1 3 . 1 1 44 44 PRO HA H 44 5.013 5.013 4.901 0.112 19632 840 1 3 . 1 1 44 44 PRO CA C 44 62.744 62.744 63.104 -0.360 19632 841 1 3 . 1 1 44 44 PRO CB C 44 33.747 33.747 32.254 1.493 19632 842 1 3 . 1 1 45 45 TYR N N 45 115.140 115.140 119.604 -4.464 19632 843 1 3 . 1 1 45 45 TYR HA H 45 4.897 4.897 4.752 0.145 19632 844 1 3 . 1 1 45 45 TYR CA C 45 56.387 56.387 55.555 0.832 19632 845 1 3 . 1 1 45 45 TYR CB C 45 40.574 40.574 40.223 0.351 19632 846 1 3 . 1 1 45 45 TYR H H 45 8.176 8.176 8.433 -0.257 19632 847 1 3 . 1 1 46 46 PHE N N 46 115.001 115.001 118.018 -3.017 19632 848 1 3 . 1 1 46 46 PHE HA H 46 5.662 5.662 5.036 0.626 19632 849 1 3 . 1 1 46 46 PHE CA C 46 56.395 56.395 56.123 0.272 19632 850 1 3 . 1 1 46 46 PHE CB C 46 43.736 43.736 41.874 1.862 19632 851 1 3 . 1 1 46 46 PHE H H 46 8.607 8.607 9.014 -0.407 19632 852 1 3 . 1 1 47 47 LEU N N 47 121.747 121.747 123.770 -2.023 19632 853 1 3 . 1 1 47 47 LEU HA H 47 5.339 5.339 5.144 0.195 19632 854 1 3 . 1 1 47 47 LEU CA C 47 54.116 54.116 54.009 0.107 19632 855 1 3 . 1 1 47 47 LEU CB C 47 44.357 44.357 43.246 1.111 19632 856 1 3 . 1 1 47 47 LEU H H 47 9.631 9.631 9.101 0.530 19632 857 1 3 . 1 1 48 48 VAL N N 48 122.850 122.850 125.105 -2.255 19632 858 1 3 . 1 1 48 48 VAL HA H 48 4.476 4.476 4.586 -0.110 19632 859 1 3 . 1 1 48 48 VAL CA C 48 61.559 61.559 61.624 -0.065 19632 860 1 3 . 1 1 48 48 VAL CB C 48 35.232 35.232 33.426 1.806 19632 861 1 3 . 1 1 48 48 VAL H H 48 9.334 9.334 9.319 0.015 19632 862 1 3 . 1 1 49 49 ARG N N 49 129.488 129.488 127.466 2.022 19632 863 1 3 . 1 1 49 49 ARG HA H 49 3.045 3.045 3.965 -0.920 19632 864 1 3 . 1 1 49 49 ARG CA C 49 56.623 56.623 54.585 2.038 19632 865 1 3 . 1 1 49 49 ARG CB C 49 31.326 31.326 29.652 1.674 19632 866 1 3 . 1 1 49 49 ARG H H 49 8.451 8.451 8.635 -0.184 19632 867 1 3 . 1 1 50 50 ALA N N 50 131.016 131.016 129.823 1.193 19632 868 1 3 . 1 1 50 50 ALA HA H 50 4.418 4.418 4.249 0.169 19632 869 1 3 . 1 1 50 50 ALA CA C 50 51.502 51.502 51.542 -0.040 19632 870 1 3 . 1 1 50 50 ALA CB C 50 20.364 20.364 19.627 0.737 19632 871 1 3 . 1 1 50 50 ALA H H 50 8.524 8.524 8.025 0.498 19632 872 1 3 . 1 1 51 51 ASP N N 51 112.516 112.516 119.505 -6.989 19632 873 1 3 . 1 1 51 51 ASP HA H 51 4.413 4.413 4.381 0.032 19632 874 1 3 . 1 1 51 51 ASP CA C 51 54.301 54.301 54.432 -0.131 19632 875 1 3 . 1 1 51 51 ASP CB C 51 41.710 41.710 41.146 0.564 19632 876 1 3 . 1 1 51 51 ASP H H 51 8.597 8.597 8.284 0.313 19632 877 1 3 . 1 1 52 52 GLY N N 52 106.147 106.147 109.766 -3.619 19632 878 1 3 . 1 1 52 52 GLY CA C 52 45.499 45.499 44.377 1.122 19632 879 1 3 . 1 1 52 52 GLY H H 52 8.378 8.378 8.089 0.289 19632 880 1 3 . 1 1 53 53 SER N N 53 115.000 115.000 118.538 -3.538 19632 881 1 3 . 1 1 53 53 SER HA H 53 4.439 4.439 4.423 0.016 19632 882 1 3 . 1 1 53 53 SER CA C 53 60.282 60.282 58.822 1.460 19632 883 1 3 . 1 1 53 53 SER CB C 53 64.175 64.175 62.565 1.610 19632 884 1 3 . 1 1 53 53 SER H H 53 8.677 8.677 8.585 0.092 19632 885 1 3 . 1 1 54 54 ASP N N 54 119.220 119.220 121.109 -1.889 19632 886 1 3 . 1 1 54 54 ASP HA H 54 4.595 4.595 4.548 0.047 19632 887 1 3 . 1 1 54 54 ASP CA C 54 55.689 55.689 54.691 0.998 19632 888 1 3 . 1 1 54 54 ASP CB C 54 41.326 41.326 41.525 -0.199 19632 889 1 3 . 1 1 54 54 ASP H H 54 8.364 8.364 8.024 0.340 19632 890 1 3 . 1 1 55 55 GLY N N 55 107.460 107.460 107.586 -0.126 19632 891 1 3 . 1 1 55 55 GLY CA C 55 47.210 47.210 44.629 2.581 19632 892 1 3 . 1 1 55 55 GLY H H 55 7.801 7.801 8.156 -0.355 19632 893 1 3 . 1 1 56 56 ASN N N 56 116.076 116.076 121.604 -5.528 19632 894 1 3 . 1 1 56 56 ASN HA H 56 4.997 4.997 4.652 0.345 19632 895 1 3 . 1 1 56 56 ASN CA C 56 53.235 53.235 54.647 -1.412 19632 896 1 3 . 1 1 56 56 ASN CB C 56 41.540 41.540 38.903 2.637 19632 897 1 3 . 1 1 56 56 ASN H H 56 7.919 7.919 7.821 0.098 19632 898 1 3 . 1 1 57 57 PHE N N 57 118.405 118.405 118.988 -0.583 19632 899 1 3 . 1 1 57 57 PHE HA H 57 5.043 5.043 5.392 -0.349 19632 900 1 3 . 1 1 57 57 PHE CA C 57 56.786 56.786 57.107 -0.321 19632 901 1 3 . 1 1 57 57 PHE CB C 57 44.374 44.374 43.429 0.945 19632 902 1 3 . 1 1 57 57 PHE H H 57 9.203 9.203 7.889 1.314 19632 903 1 3 . 1 1 58 58 ILE N N 58 118.503 118.503 118.739 -0.236 19632 904 1 3 . 1 1 58 58 ILE HA H 58 4.507 4.507 4.658 -0.151 19632 905 1 3 . 1 1 58 58 ILE CA C 58 60.493 60.493 58.728 1.764 19632 906 1 3 . 1 1 58 58 ILE CB C 58 42.447 42.447 40.905 1.542 19632 907 1 3 . 1 1 58 58 ILE H H 58 9.222 9.222 9.139 0.083 19632 908 1 3 . 1 1 59 59 ARG N N 59 126.283 126.283 125.848 0.435 19632 909 1 3 . 1 1 59 59 ARG HA H 59 5.111 5.111 5.167 -0.056 19632 910 1 3 . 1 1 59 59 ARG CA C 59 55.839 55.839 56.193 -0.354 19632 911 1 3 . 1 1 59 59 ARG CB C 59 32.157 32.157 31.302 0.855 19632 912 1 3 . 1 1 59 59 ARG H H 59 9.298 9.298 8.652 0.646 19632 913 1 3 . 1 1 60 60 SER N N 60 119.913 119.913 119.637 0.276 19632 914 1 3 . 1 1 60 60 SER HA H 60 3.887 3.887 4.331 -0.444 19632 915 1 3 . 1 1 60 60 SER CA C 60 62.373 62.373 61.304 1.069 19632 916 1 3 . 1 1 60 60 SER CB C 60 62.777 62.777 63.560 -0.783 19632 917 1 3 . 1 1 60 60 SER H H 60 9.698 9.698 8.849 0.849 19632 918 1 3 . 1 1 61 61 ASP N N 61 117.504 117.504 121.360 -3.856 19632 919 1 3 . 1 1 61 61 ASP HA H 61 4.764 4.764 4.503 0.261 19632 920 1 3 . 1 1 61 61 ASP CA C 61 53.789 53.789 56.144 -2.355 19632 921 1 3 . 1 1 61 61 ASP CB C 61 40.082 40.082 41.343 -1.261 19632 922 1 3 . 1 1 61 61 ASP H H 61 8.769 8.769 8.467 0.302 19632 923 1 3 . 1 1 62 62 GLN N N 62 118.595 118.595 116.002 2.593 19632 924 1 3 . 1 1 62 62 GLN HA H 62 4.779 4.779 4.709 0.070 19632 925 1 3 . 1 1 62 62 GLN CA C 62 54.066 54.066 53.117 0.949 19632 926 1 3 . 1 1 62 62 GLN CB C 62 30.309 30.309 29.931 0.378 19632 927 1 3 . 1 1 62 62 GLN H H 62 7.467 7.467 7.948 -0.481 19632 928 1 3 . 1 1 63 63 PRO HA H 63 4.662 4.662 4.841 -0.179 19632 929 1 3 . 1 1 63 63 PRO CB C 63 32.293 32.293 32.105 0.188 19632 930 1 3 . 1 1 64 64 ASP N N 64 116.697 116.697 117.883 -1.186 19632 931 1 3 . 1 1 64 64 ASP HA H 64 4.662 4.662 4.637 0.025 19632 932 1 3 . 1 1 64 64 ASP CA C 64 54.449 54.449 54.197 0.252 19632 933 1 3 . 1 1 64 64 ASP CB C 64 41.201 41.201 40.660 0.541 19632 934 1 3 . 1 1 64 64 ASP H H 64 8.389 8.389 8.453 -0.064 19632 935 1 3 . 1 1 65 65 LYS N N 65 119.781 119.781 120.680 -0.899 19632 936 1 3 . 1 1 65 65 LYS HA H 65 4.547 4.547 4.517 0.030 19632 937 1 3 . 1 1 65 65 LYS CA C 65 55.469 55.469 55.464 0.005 19632 938 1 3 . 1 1 65 65 LYS CB C 65 34.796 34.796 33.885 0.911 19632 939 1 3 . 1 1 65 65 LYS H H 65 7.592 7.592 7.374 0.218 19632 940 1 3 . 1 1 66 66 LEU N N 66 125.131 125.131 125.728 -0.597 19632 941 1 3 . 1 1 66 66 LEU HA H 66 4.708 4.708 4.357 0.351 19632 942 1 3 . 1 1 66 66 LEU CA C 66 54.496 54.496 54.409 0.087 19632 943 1 3 . 1 1 66 66 LEU CB C 66 44.010 44.010 42.237 1.773 19632 944 1 3 . 1 1 66 66 LEU H H 66 8.300 8.300 8.435 -0.135 19632 945 1 3 . 1 1 67 67 ILE N N 67 124.524 124.524 126.638 -2.114 19632 946 1 3 . 1 1 67 67 ILE HA H 67 4.447 4.447 4.150 0.297 19632 947 1 3 . 1 1 67 67 ILE CA C 67 57.824 57.824 58.077 -0.253 19632 948 1 3 . 1 1 67 67 ILE CB C 67 40.744 40.744 37.130 3.614 19632 949 1 3 . 1 1 67 67 ILE H H 67 9.427 9.427 8.664 0.763 19632 950 1 3 . 1 1 68 68 PRO HA H 68 4.649 4.649 4.255 0.394 19632 951 1 3 . 1 1 68 68 PRO CB C 68 32.644 32.644 32.024 0.620 19632 952 1 3 . 1 1 69 69 GLN N N 69 119.126 119.126 117.521 1.605 19632 953 1 3 . 1 1 69 69 GLN HA H 69 3.730 3.730 4.160 -0.430 19632 954 1 3 . 1 1 69 69 GLN CA C 69 59.447 59.447 57.472 1.974 19632 955 1 3 . 1 1 69 69 GLN CB C 69 28.819 28.819 28.741 0.078 19632 956 1 3 . 1 1 69 69 GLN H H 69 8.386 8.386 8.298 0.088 19632 957 1 3 . 1 1 70 70 TRP N N 70 112.076 112.076 115.996 -3.920 19632 958 1 3 . 1 1 70 70 TRP HA H 70 4.525 4.525 4.908 -0.383 19632 959 1 3 . 1 1 70 70 TRP CA C 70 58.197 58.197 57.514 0.683 19632 960 1 3 . 1 1 70 70 TRP CB C 70 28.016 28.016 29.132 -1.116 19632 961 1 3 . 1 1 70 70 TRP H H 70 6.972 6.972 7.445 -0.473 19632 962 1 3 . 1 1 71 71 GLU N N 71 119.388 119.388 121.518 -2.130 19632 963 1 3 . 1 1 71 71 GLU HA H 71 4.249 4.249 4.316 -0.067 19632 964 1 3 . 1 1 71 71 GLU CA C 71 56.654 56.654 57.275 -0.621 19632 965 1 3 . 1 1 71 71 GLU CB C 71 30.938 30.938 30.086 0.852 19632 966 1 3 . 1 1 71 71 GLU H H 71 7.386 7.386 7.229 0.157 19632 967 1 3 . 1 1 72 72 ILE N N 72 115.759 115.759 116.346 -0.587 19632 968 1 3 . 1 1 72 72 ILE HA H 72 3.324 3.324 3.560 -0.236 19632 969 1 3 . 1 1 72 72 ILE CA C 72 64.205 64.205 63.746 0.459 19632 970 1 3 . 1 1 72 72 ILE CB C 72 38.012 38.012 37.586 0.426 19632 971 1 3 . 1 1 72 72 ILE H H 72 6.754 6.754 7.201 -0.447 19632 972 1 3 . 1 1 73 73 PHE N N 73 115.942 115.942 116.168 -0.226 19632 973 1 3 . 1 1 73 73 PHE HA H 73 4.248 4.248 3.670 0.578 19632 974 1 3 . 1 1 73 73 PHE CA C 73 56.514 56.514 55.742 0.772 19632 975 1 3 . 1 1 73 73 PHE CB C 73 38.479 38.479 38.113 0.366 19632 976 1 3 . 1 1 73 73 PHE H H 73 7.388 7.388 7.114 0.274 19632 977 1 3 . 1 1 74 74 SER N N 74 114.787 114.787 115.781 -0.994 19632 978 1 3 . 1 1 74 74 SER HA H 74 4.358 4.358 4.284 0.074 19632 979 1 3 . 1 1 74 74 SER CA C 74 58.265 58.265 60.229 -1.964 19632 980 1 3 . 1 1 74 74 SER CB C 74 63.783 63.783 63.766 0.018 19632 981 1 3 . 1 1 74 74 SER H H 74 7.203 7.203 7.727 -0.524 19632 982 1 4 . 1 1 2 2 ALA HA H 2 4.290 4.290 4.555 -0.265 19632 983 1 4 . 1 1 2 2 ALA CA C 2 53.589 53.589 52.585 1.004 19632 984 1 4 . 1 1 2 2 ALA CB C 2 19.556 19.556 19.175 0.381 19632 985 1 4 . 1 1 5 5 ASP N N 5 116.992 116.992 119.690 -2.698 19632 986 1 4 . 1 1 5 5 ASP HA H 5 4.622 4.622 4.753 -0.131 19632 987 1 4 . 1 1 5 5 ASP CA C 5 54.508 54.508 53.657 0.851 19632 988 1 4 . 1 1 5 5 ASP CB C 5 41.375 41.375 41.443 -0.068 19632 989 1 4 . 1 1 5 5 ASP H H 5 8.372 8.372 8.463 -0.091 19632 990 1 4 . 1 1 6 6 ALA N N 6 124.275 124.275 129.403 -5.128 19632 991 1 4 . 1 1 6 6 ALA HA H 6 4.582 4.582 4.612 -0.030 19632 992 1 4 . 1 1 6 6 ALA CA C 6 48.068 48.068 49.772 -1.704 19632 993 1 4 . 1 1 6 6 ALA CB C 6 18.765 18.765 18.660 0.105 19632 994 1 4 . 1 1 6 6 ALA H H 6 7.984 7.984 8.244 -0.260 19632 995 1 4 . 1 1 7 7 PRO HA H 7 4.486 4.486 4.627 -0.141 19632 996 1 4 . 1 1 7 7 PRO CA C 7 63.406 63.406 62.290 1.116 19632 997 1 4 . 1 1 7 7 PRO CB C 7 32.491 32.491 32.415 0.076 19632 998 1 4 . 1 1 8 8 SER N N 8 115.947 115.947 113.623 2.324 19632 999 1 4 . 1 1 8 8 SER HA H 8 4.483 4.483 4.417 0.066 19632 1000 1 4 . 1 1 8 8 SER CA C 8 58.635 58.635 58.052 0.583 19632 1001 1 4 . 1 1 8 8 SER CB C 8 64.447 64.447 64.114 0.333 19632 1002 1 4 . 1 1 8 8 SER H H 8 8.424 8.424 8.003 0.421 19632 1003 1 4 . 1 1 9 9 GLY N N 9 109.902 109.902 108.332 1.570 19632 1004 1 4 . 1 1 9 9 GLY CA C 9 45.804 45.804 45.236 0.568 19632 1005 1 4 . 1 1 9 9 GLY H H 9 8.352 8.352 8.553 -0.201 19632 1006 1 4 . 1 1 10 10 GLU N N 10 119.364 119.364 119.271 0.093 19632 1007 1 4 . 1 1 10 10 GLU HA H 10 4.808 4.808 4.099 0.709 19632 1008 1 4 . 1 1 10 10 GLU CA C 10 53.481 53.481 56.009 -2.528 19632 1009 1 4 . 1 1 10 10 GLU CB C 10 30.956 30.956 28.304 2.652 19632 1010 1 4 . 1 1 10 10 GLU H H 10 8.071 8.071 8.014 0.057 19632 1011 1 4 . 1 1 11 11 PRO HA H 11 5.012 5.012 4.578 0.434 19632 1012 1 4 . 1 1 11 11 PRO CA C 11 63.350 63.350 63.312 0.038 19632 1013 1 4 . 1 1 11 11 PRO CB C 11 34.176 34.176 31.949 2.227 19632 1014 1 4 . 1 1 12 12 ASP N N 12 122.007 122.007 126.097 -4.090 19632 1015 1 4 . 1 1 12 12 ASP HA H 12 5.030 5.030 4.764 0.266 19632 1016 1 4 . 1 1 12 12 ASP CA C 12 53.249 53.249 54.162 -0.913 19632 1017 1 4 . 1 1 12 12 ASP CB C 12 45.006 45.006 43.217 1.789 19632 1018 1 4 . 1 1 12 12 ASP H H 12 9.396 9.396 8.555 0.841 19632 1019 1 4 . 1 1 13 13 VAL N N 13 120.517 120.517 122.143 -1.626 19632 1020 1 4 . 1 1 13 13 VAL HA H 13 5.090 5.090 4.683 0.407 19632 1021 1 4 . 1 1 13 13 VAL CA C 13 59.653 59.653 59.603 0.050 19632 1022 1 4 . 1 1 13 13 VAL CB C 13 35.347 35.347 33.684 1.663 19632 1023 1 4 . 1 1 13 13 VAL H H 13 8.402 8.402 8.403 -0.001 19632 1024 1 4 . 1 1 14 14 THR N N 14 122.388 122.388 125.601 -3.213 19632 1025 1 4 . 1 1 14 14 THR HA H 14 4.465 4.465 4.490 -0.025 19632 1026 1 4 . 1 1 14 14 THR CA C 14 61.591 61.591 61.456 0.135 19632 1027 1 4 . 1 1 14 14 THR CB C 14 71.537 71.537 69.316 2.221 19632 1028 1 4 . 1 1 14 14 THR H H 14 8.397 8.397 8.656 -0.259 19632 1029 1 4 . 1 1 15 15 ILE N N 15 125.929 125.929 128.541 -2.612 19632 1030 1 4 . 1 1 15 15 ILE HA H 15 4.882 4.882 4.246 0.636 19632 1031 1 4 . 1 1 15 15 ILE CA C 15 60.655 60.655 61.198 -0.543 19632 1032 1 4 . 1 1 15 15 ILE CB C 15 40.004 40.004 37.346 2.658 19632 1033 1 4 . 1 1 15 15 ILE H H 15 8.628 8.628 8.798 -0.170 19632 1034 1 4 . 1 1 16 16 ARG N N 16 125.332 125.332 128.524 -3.192 19632 1035 1 4 . 1 1 16 16 ARG HA H 16 4.662 4.662 4.741 -0.079 19632 1036 1 4 . 1 1 16 16 ARG CA C 16 54.731 54.731 53.634 1.097 19632 1037 1 4 . 1 1 16 16 ARG CB C 16 33.731 33.731 33.367 0.364 19632 1038 1 4 . 1 1 16 16 ARG H H 16 9.057 9.057 8.673 0.384 19632 1039 1 4 . 1 1 17 17 GLN N N 17 121.044 121.044 119.365 1.679 19632 1040 1 4 . 1 1 17 17 GLN HA H 17 4.803 4.803 4.769 0.034 19632 1041 1 4 . 1 1 17 17 GLN CA C 17 55.241 55.241 55.138 0.103 19632 1042 1 4 . 1 1 17 17 GLN CB C 17 30.461 30.461 31.468 -1.007 19632 1043 1 4 . 1 1 17 17 GLN H H 17 8.508 8.508 8.553 -0.045 19632 1044 1 4 . 1 1 18 18 GLU N N 18 125.409 125.409 126.074 -0.665 19632 1045 1 4 . 1 1 18 18 GLU HA H 18 4.529 4.529 4.447 0.082 19632 1046 1 4 . 1 1 18 18 GLU CA C 18 55.018 55.018 54.834 0.184 19632 1047 1 4 . 1 1 18 18 GLU CB C 18 31.654 31.654 28.598 3.056 19632 1048 1 4 . 1 1 18 18 GLU H H 18 8.394 8.394 8.648 -0.254 19632 1049 1 4 . 1 1 19 19 GLY N N 19 114.286 114.286 115.289 -1.003 19632 1050 1 4 . 1 1 19 19 GLY CA C 19 47.887 47.887 46.356 1.531 19632 1051 1 4 . 1 1 19 19 GLY H H 19 8.804 8.804 8.167 0.637 19632 1052 1 4 . 1 1 20 20 ASP N N 20 124.137 124.137 125.471 -1.334 19632 1053 1 4 . 1 1 20 20 ASP HA H 20 4.536 4.536 4.756 -0.220 19632 1054 1 4 . 1 1 20 20 ASP CA C 20 54.019 54.019 54.221 -0.202 19632 1055 1 4 . 1 1 20 20 ASP CB C 20 41.053 41.053 41.596 -0.543 19632 1056 1 4 . 1 1 20 20 ASP H H 20 8.519 8.519 8.498 0.021 19632 1057 1 4 . 1 1 21 21 LYS N N 21 116.711 116.711 120.417 -3.706 19632 1058 1 4 . 1 1 21 21 LYS HA H 21 4.648 4.648 4.808 -0.160 19632 1059 1 4 . 1 1 21 21 LYS CA C 21 55.468 55.468 54.861 0.606 19632 1060 1 4 . 1 1 21 21 LYS CB C 21 34.941 34.941 32.009 2.932 19632 1061 1 4 . 1 1 21 21 LYS H H 21 7.696 7.696 7.343 0.353 19632 1062 1 4 . 1 1 22 22 THR N N 22 118.655 118.655 123.612 -4.957 19632 1063 1 4 . 1 1 22 22 THR HA H 22 4.541 4.541 4.486 0.055 19632 1064 1 4 . 1 1 22 22 THR CA C 22 62.936 62.936 63.037 -0.101 19632 1065 1 4 . 1 1 22 22 THR CB C 22 70.275 70.275 68.673 1.602 19632 1066 1 4 . 1 1 22 22 THR H H 22 7.994 7.994 8.795 -0.801 19632 1067 1 4 . 1 1 23 23 ILE N N 23 126.114 126.114 129.448 -3.334 19632 1068 1 4 . 1 1 23 23 ILE HA H 23 4.699 4.699 4.122 0.577 19632 1069 1 4 . 1 1 23 23 ILE CA C 23 59.119 59.119 60.818 -1.699 19632 1070 1 4 . 1 1 23 23 ILE CB C 23 40.729 40.729 37.660 3.069 19632 1071 1 4 . 1 1 23 23 ILE H H 23 8.957 8.957 8.767 0.190 19632 1072 1 4 . 1 1 24 24 GLN N N 24 123.560 123.560 128.247 -4.687 19632 1073 1 4 . 1 1 24 24 GLN HA H 24 5.121 5.121 4.699 0.422 19632 1074 1 4 . 1 1 24 24 GLN CA C 24 53.653 53.653 54.322 -0.669 19632 1075 1 4 . 1 1 24 24 GLN CB C 24 30.573 30.573 29.023 1.550 19632 1076 1 4 . 1 1 24 24 GLN H H 24 8.932 8.932 9.049 -0.117 19632 1077 1 4 . 1 1 25 25 GLU N N 25 122.651 122.651 125.202 -2.551 19632 1078 1 4 . 1 1 25 25 GLU HA H 25 4.462 4.462 4.400 0.062 19632 1079 1 4 . 1 1 25 25 GLU CA C 25 55.548 55.548 55.658 -0.111 19632 1080 1 4 . 1 1 25 25 GLU CB C 25 32.644 32.644 29.912 2.732 19632 1081 1 4 . 1 1 25 25 GLU H H 25 8.987 8.987 8.933 0.054 19632 1082 1 4 . 1 1 26 26 TYR N N 26 124.044 124.044 126.823 -2.779 19632 1083 1 4 . 1 1 26 26 TYR HA H 26 4.756 4.756 4.666 0.090 19632 1084 1 4 . 1 1 26 26 TYR CA C 26 58.317 58.317 58.569 -0.252 19632 1085 1 4 . 1 1 26 26 TYR CB C 26 38.543 38.543 37.490 1.053 19632 1086 1 4 . 1 1 26 26 TYR H H 26 8.930 8.930 8.983 -0.053 19632 1087 1 4 . 1 1 27 27 ARG N N 27 119.739 119.739 124.942 -5.203 19632 1088 1 4 . 1 1 27 27 ARG HA H 27 5.657 5.657 5.158 0.499 19632 1089 1 4 . 1 1 27 27 ARG CA C 27 53.860 53.860 54.957 -1.097 19632 1090 1 4 . 1 1 27 27 ARG CB C 27 36.310 36.310 32.446 3.864 19632 1091 1 4 . 1 1 27 27 ARG H H 27 8.496 8.496 9.208 -0.712 19632 1092 1 4 . 1 1 28 28 VAL N N 28 115.698 115.698 124.968 -9.270 19632 1093 1 4 . 1 1 28 28 VAL HA H 28 4.526 4.526 4.180 0.346 19632 1094 1 4 . 1 1 28 28 VAL CA C 28 60.002 60.002 64.543 -4.541 19632 1095 1 4 . 1 1 28 28 VAL CB C 28 34.889 34.889 32.642 2.247 19632 1096 1 4 . 1 1 28 28 VAL H H 28 8.716 8.716 8.726 -0.010 19632 1097 1 4 . 1 1 29 29 ASN N N 29 128.827 128.827 117.194 11.633 19632 1098 1 4 . 1 1 29 29 ASN HA H 29 4.309 4.309 4.805 -0.496 19632 1099 1 4 . 1 1 29 29 ASN CA C 29 54.385 54.385 53.748 0.637 19632 1100 1 4 . 1 1 29 29 ASN CB C 29 38.270 38.270 38.053 0.217 19632 1101 1 4 . 1 1 29 29 ASN H H 29 9.605 9.605 7.907 1.698 19632 1102 1 4 . 1 1 30 30 GLY N N 30 103.111 103.111 109.290 -6.179 19632 1103 1 4 . 1 1 30 30 GLY CA C 30 45.901 45.901 45.621 0.280 19632 1104 1 4 . 1 1 30 30 GLY H H 30 8.784 8.784 8.540 0.244 19632 1105 1 4 . 1 1 31 31 PHE N N 31 123.693 123.693 121.495 2.198 19632 1106 1 4 . 1 1 31 31 PHE HA H 31 4.529 4.529 4.818 -0.289 19632 1107 1 4 . 1 1 31 31 PHE CA C 31 57.924 57.924 56.661 1.263 19632 1108 1 4 . 1 1 31 31 PHE CB C 31 40.207 40.207 41.407 -1.200 19632 1109 1 4 . 1 1 31 31 PHE H H 31 8.191 8.191 7.682 0.509 19632 1110 1 4 . 1 1 32 32 LEU N N 32 130.348 130.348 128.906 1.442 19632 1111 1 4 . 1 1 32 32 LEU HA H 32 4.427 4.427 4.396 0.031 19632 1112 1 4 . 1 1 32 32 LEU CA C 32 55.517 55.517 54.349 1.168 19632 1113 1 4 . 1 1 32 32 LEU CB C 32 42.468 42.468 42.541 -0.073 19632 1114 1 4 . 1 1 32 32 LEU H H 32 8.171 8.171 8.269 -0.098 19632 1115 1 4 . 1 1 33 33 TYR N N 33 124.923 124.923 121.088 3.835 19632 1116 1 4 . 1 1 33 33 TYR HA H 33 4.557 4.557 4.970 -0.413 19632 1117 1 4 . 1 1 33 33 TYR CA C 33 56.404 56.404 56.588 -0.184 19632 1118 1 4 . 1 1 33 33 TYR CB C 33 39.131 39.131 40.336 -1.205 19632 1119 1 4 . 1 1 33 33 TYR H H 33 8.415 8.415 8.770 -0.355 19632 1120 1 4 . 1 1 34 34 ALA N N 34 120.211 120.211 121.017 -0.806 19632 1121 1 4 . 1 1 34 34 ALA HA H 34 5.528 5.528 5.623 -0.095 19632 1122 1 4 . 1 1 34 34 ALA CA C 34 52.196 52.196 51.392 0.804 19632 1123 1 4 . 1 1 34 34 ALA CB C 34 22.633 22.633 22.111 0.522 19632 1124 1 4 . 1 1 34 34 ALA H H 34 7.399 7.399 7.297 0.102 19632 1125 1 4 . 1 1 35 35 ILE N N 35 118.197 118.197 121.952 -3.755 19632 1126 1 4 . 1 1 35 35 ILE HA H 35 5.157 5.157 4.842 0.315 19632 1127 1 4 . 1 1 35 35 ILE CA C 35 60.000 60.000 60.261 -0.261 19632 1128 1 4 . 1 1 35 35 ILE CB C 35 43.639 43.639 41.378 2.261 19632 1129 1 4 . 1 1 35 35 ILE H H 35 9.224 9.224 8.651 0.573 19632 1130 1 4 . 1 1 36 36 LYS N N 36 127.872 127.872 129.279 -1.407 19632 1131 1 4 . 1 1 36 36 LYS HA H 36 4.204 4.204 4.438 -0.234 19632 1132 1 4 . 1 1 36 36 LYS CA C 36 55.245 55.245 54.836 0.409 19632 1133 1 4 . 1 1 36 36 LYS CB C 36 36.092 36.092 33.398 2.694 19632 1134 1 4 . 1 1 36 36 LYS H H 36 9.708 9.708 8.991 0.717 19632 1135 1 4 . 1 1 37 37 VAL N N 37 128.005 128.005 127.745 0.260 19632 1136 1 4 . 1 1 37 37 VAL HA H 37 4.043 4.043 3.945 0.098 19632 1137 1 4 . 1 1 37 37 VAL CA C 37 61.840 61.840 61.373 0.467 19632 1138 1 4 . 1 1 37 37 VAL CB C 37 32.523 32.523 31.439 1.084 19632 1139 1 4 . 1 1 37 37 VAL H H 37 8.551 8.551 8.455 0.096 19632 1140 1 4 . 1 1 38 38 VAL N N 38 125.034 125.034 126.693 -1.659 19632 1141 1 4 . 1 1 38 38 VAL HA H 38 4.277 4.277 4.344 -0.067 19632 1142 1 4 . 1 1 38 38 VAL CA C 38 59.287 59.287 58.318 0.969 19632 1143 1 4 . 1 1 38 38 VAL CB C 38 32.568 32.568 31.406 1.162 19632 1144 1 4 . 1 1 38 38 VAL H H 38 8.668 8.668 8.833 -0.165 19632 1145 1 4 . 1 1 39 39 PRO HA H 39 4.565 4.565 4.865 -0.300 19632 1146 1 4 . 1 1 39 39 PRO CA C 39 62.202 62.202 62.052 0.150 19632 1147 1 4 . 1 1 39 39 PRO CB C 39 32.887 32.887 32.094 0.792 19632 1148 1 4 . 1 1 40 40 LYS N N 40 121.622 121.622 122.320 -0.698 19632 1149 1 4 . 1 1 40 40 LYS HA H 40 3.877 3.877 3.883 -0.006 19632 1150 1 4 . 1 1 40 40 LYS CA C 40 58.950 58.950 58.138 0.812 19632 1151 1 4 . 1 1 40 40 LYS CB C 40 32.988 32.988 32.523 0.465 19632 1152 1 4 . 1 1 40 40 LYS H H 40 8.275 8.275 8.279 -0.004 19632 1153 1 4 . 1 1 41 41 HIS N N 41 114.012 114.012 118.434 -4.422 19632 1154 1 4 . 1 1 41 41 HIS HA H 41 4.795 4.795 4.709 0.086 19632 1155 1 4 . 1 1 41 41 HIS CA C 41 54.904 54.904 55.330 -0.425 19632 1156 1 4 . 1 1 41 41 HIS CB C 41 30.835 30.835 29.546 1.289 19632 1157 1 4 . 1 1 41 41 HIS H H 41 8.040 8.040 7.855 0.185 19632 1158 1 4 . 1 1 42 42 GLY N N 42 109.068 109.068 111.698 -2.630 19632 1159 1 4 . 1 1 42 42 GLY CA C 42 44.482 44.482 44.629 -0.147 19632 1160 1 4 . 1 1 42 42 GLY H H 42 7.966 7.966 8.503 -0.537 19632 1161 1 4 . 1 1 43 43 LYS N N 43 120.287 120.287 119.021 1.266 19632 1162 1 4 . 1 1 43 43 LYS HA H 43 4.680 4.680 4.207 0.473 19632 1163 1 4 . 1 1 43 43 LYS CA C 43 54.392 54.392 56.337 -1.945 19632 1164 1 4 . 1 1 43 43 LYS CB C 43 33.511 33.511 31.510 2.001 19632 1165 1 4 . 1 1 43 43 LYS H H 43 8.209 8.209 7.849 0.360 19632 1166 1 4 . 1 1 44 44 PRO HA H 44 5.013 5.013 4.841 0.172 19632 1167 1 4 . 1 1 44 44 PRO CA C 44 62.744 62.744 63.340 -0.596 19632 1168 1 4 . 1 1 44 44 PRO CB C 44 33.747 33.747 32.333 1.414 19632 1169 1 4 . 1 1 45 45 TYR N N 45 115.140 115.140 119.051 -3.911 19632 1170 1 4 . 1 1 45 45 TYR HA H 45 4.897 4.897 4.777 0.120 19632 1171 1 4 . 1 1 45 45 TYR CA C 45 56.387 56.387 55.790 0.597 19632 1172 1 4 . 1 1 45 45 TYR CB C 45 40.574 40.574 40.324 0.250 19632 1173 1 4 . 1 1 45 45 TYR H H 45 8.176 8.176 8.505 -0.329 19632 1174 1 4 . 1 1 46 46 PHE N N 46 115.001 115.001 119.584 -4.583 19632 1175 1 4 . 1 1 46 46 PHE HA H 46 5.662 5.662 5.259 0.403 19632 1176 1 4 . 1 1 46 46 PHE CA C 46 56.395 56.395 57.048 -0.653 19632 1177 1 4 . 1 1 46 46 PHE CB C 46 43.736 43.736 40.951 2.785 19632 1178 1 4 . 1 1 46 46 PHE H H 46 8.607 8.607 8.804 -0.197 19632 1179 1 4 . 1 1 47 47 LEU N N 47 121.747 121.747 122.937 -1.190 19632 1180 1 4 . 1 1 47 47 LEU HA H 47 5.339 5.339 5.153 0.186 19632 1181 1 4 . 1 1 47 47 LEU CA C 47 54.116 54.116 54.061 0.055 19632 1182 1 4 . 1 1 47 47 LEU CB C 47 44.357 44.357 43.564 0.793 19632 1183 1 4 . 1 1 47 47 LEU H H 47 9.631 9.631 9.120 0.511 19632 1184 1 4 . 1 1 48 48 VAL N N 48 122.850 122.850 125.107 -2.257 19632 1185 1 4 . 1 1 48 48 VAL HA H 48 4.476 4.476 4.459 0.017 19632 1186 1 4 . 1 1 48 48 VAL CA C 48 61.559 61.559 61.266 0.293 19632 1187 1 4 . 1 1 48 48 VAL CB C 48 35.232 35.232 31.945 3.287 19632 1188 1 4 . 1 1 48 48 VAL H H 48 9.334 9.334 8.890 0.444 19632 1189 1 4 . 1 1 49 49 ARG N N 49 129.488 129.488 129.607 -0.119 19632 1190 1 4 . 1 1 49 49 ARG HA H 49 3.045 3.045 3.423 -0.378 19632 1191 1 4 . 1 1 49 49 ARG CA C 49 56.623 56.623 55.452 1.171 19632 1192 1 4 . 1 1 49 49 ARG CB C 49 31.326 31.326 29.984 1.342 19632 1193 1 4 . 1 1 49 49 ARG H H 49 8.451 8.451 8.382 0.069 19632 1194 1 4 . 1 1 50 50 ALA N N 50 131.016 131.016 130.605 0.411 19632 1195 1 4 . 1 1 50 50 ALA HA H 50 4.418 4.418 4.484 -0.066 19632 1196 1 4 . 1 1 50 50 ALA CA C 50 51.502 51.502 50.684 0.818 19632 1197 1 4 . 1 1 50 50 ALA CB C 50 20.364 20.364 20.826 -0.462 19632 1198 1 4 . 1 1 50 50 ALA H H 50 8.524 8.524 8.528 -0.004 19632 1199 1 4 . 1 1 51 51 ASP N N 51 112.516 112.516 119.793 -7.277 19632 1200 1 4 . 1 1 51 51 ASP HA H 51 4.413 4.413 4.396 0.017 19632 1201 1 4 . 1 1 51 51 ASP CA C 51 54.301 54.301 54.814 -0.513 19632 1202 1 4 . 1 1 51 51 ASP CB C 51 41.710 41.710 41.014 0.696 19632 1203 1 4 . 1 1 51 51 ASP H H 51 8.597 8.597 8.458 0.139 19632 1204 1 4 . 1 1 52 52 GLY N N 52 106.147 106.147 109.791 -3.644 19632 1205 1 4 . 1 1 52 52 GLY CA C 52 45.499 45.499 44.392 1.107 19632 1206 1 4 . 1 1 52 52 GLY H H 52 8.378 8.378 8.064 0.314 19632 1207 1 4 . 1 1 53 53 SER N N 53 115.000 115.000 117.162 -2.162 19632 1208 1 4 . 1 1 53 53 SER HA H 53 4.439 4.439 4.338 0.101 19632 1209 1 4 . 1 1 53 53 SER CA C 53 60.282 60.282 59.375 0.907 19632 1210 1 4 . 1 1 53 53 SER CB C 53 64.175 64.175 63.317 0.858 19632 1211 1 4 . 1 1 53 53 SER H H 53 8.677 8.677 8.636 0.041 19632 1212 1 4 . 1 1 54 54 ASP N N 54 119.220 119.220 121.615 -2.395 19632 1213 1 4 . 1 1 54 54 ASP HA H 54 4.595 4.595 4.439 0.156 19632 1214 1 4 . 1 1 54 54 ASP CA C 54 55.689 55.689 54.784 0.905 19632 1215 1 4 . 1 1 54 54 ASP CB C 54 41.326 41.326 41.165 0.161 19632 1216 1 4 . 1 1 54 54 ASP H H 54 8.364 8.364 8.048 0.316 19632 1217 1 4 . 1 1 55 55 GLY N N 55 107.460 107.460 106.241 1.219 19632 1218 1 4 . 1 1 55 55 GLY CA C 55 47.210 47.210 44.838 2.372 19632 1219 1 4 . 1 1 55 55 GLY H H 55 7.801 7.801 8.094 -0.293 19632 1220 1 4 . 1 1 56 56 ASN N N 56 116.076 116.076 117.957 -1.881 19632 1221 1 4 . 1 1 56 56 ASN HA H 56 4.997 4.997 5.227 -0.230 19632 1222 1 4 . 1 1 56 56 ASN CA C 56 53.235 53.235 52.141 1.094 19632 1223 1 4 . 1 1 56 56 ASN CB C 56 41.540 41.540 39.804 1.736 19632 1224 1 4 . 1 1 56 56 ASN H H 56 7.919 7.919 7.789 0.130 19632 1225 1 4 . 1 1 57 57 PHE N N 57 118.405 118.405 123.390 -4.985 19632 1226 1 4 . 1 1 57 57 PHE HA H 57 5.043 5.043 5.291 -0.248 19632 1227 1 4 . 1 1 57 57 PHE CA C 57 56.786 56.786 56.340 0.446 19632 1228 1 4 . 1 1 57 57 PHE CB C 57 44.374 44.374 44.103 0.271 19632 1229 1 4 . 1 1 57 57 PHE H H 57 9.203 9.203 8.955 0.248 19632 1230 1 4 . 1 1 58 58 ILE N N 58 118.503 118.503 120.418 -1.915 19632 1231 1 4 . 1 1 58 58 ILE HA H 58 4.507 4.507 4.584 -0.077 19632 1232 1 4 . 1 1 58 58 ILE CA C 58 60.493 60.493 58.772 1.721 19632 1233 1 4 . 1 1 58 58 ILE CB C 58 42.447 42.447 39.122 3.325 19632 1234 1 4 . 1 1 58 58 ILE H H 58 9.222 9.222 8.787 0.435 19632 1235 1 4 . 1 1 59 59 ARG N N 59 126.283 126.283 128.093 -1.810 19632 1236 1 4 . 1 1 59 59 ARG HA H 59 5.111 5.111 5.218 -0.107 19632 1237 1 4 . 1 1 59 59 ARG CA C 59 55.839 55.839 56.698 -0.859 19632 1238 1 4 . 1 1 59 59 ARG CB C 59 32.157 32.157 30.867 1.290 19632 1239 1 4 . 1 1 59 59 ARG H H 59 9.298 9.298 9.037 0.261 19632 1240 1 4 . 1 1 60 60 SER N N 60 119.913 119.913 122.666 -2.753 19632 1241 1 4 . 1 1 60 60 SER HA H 60 3.887 3.887 4.412 -0.525 19632 1242 1 4 . 1 1 60 60 SER CA C 60 62.373 62.373 60.663 1.710 19632 1243 1 4 . 1 1 60 60 SER CB C 60 62.777 62.777 63.321 -0.544 19632 1244 1 4 . 1 1 60 60 SER H H 60 9.698 9.698 9.224 0.474 19632 1245 1 4 . 1 1 61 61 ASP N N 61 117.504 117.504 120.253 -2.749 19632 1246 1 4 . 1 1 61 61 ASP HA H 61 4.764 4.764 4.593 0.171 19632 1247 1 4 . 1 1 61 61 ASP CA C 61 53.789 53.789 55.889 -2.100 19632 1248 1 4 . 1 1 61 61 ASP CB C 61 40.082 40.082 41.404 -1.322 19632 1249 1 4 . 1 1 61 61 ASP H H 61 8.769 8.769 8.717 0.052 19632 1250 1 4 . 1 1 62 62 GLN N N 62 118.595 118.595 117.000 1.595 19632 1251 1 4 . 1 1 62 62 GLN HA H 62 4.779 4.779 4.715 0.064 19632 1252 1 4 . 1 1 62 62 GLN CA C 62 54.066 54.066 53.955 0.111 19632 1253 1 4 . 1 1 62 62 GLN CB C 62 30.309 30.309 30.364 -0.055 19632 1254 1 4 . 1 1 62 62 GLN H H 62 7.467 7.467 7.572 -0.105 19632 1255 1 4 . 1 1 63 63 PRO HA H 63 4.662 4.662 4.654 0.008 19632 1256 1 4 . 1 1 63 63 PRO CB C 63 32.293 32.293 31.891 0.402 19632 1257 1 4 . 1 1 64 64 ASP N N 64 116.697 116.697 118.155 -1.458 19632 1258 1 4 . 1 1 64 64 ASP HA H 64 4.662 4.662 4.626 0.036 19632 1259 1 4 . 1 1 64 64 ASP CA C 64 54.449 54.449 53.777 0.672 19632 1260 1 4 . 1 1 64 64 ASP CB C 64 41.201 41.201 40.935 0.266 19632 1261 1 4 . 1 1 64 64 ASP H H 64 8.389 8.389 8.427 -0.038 19632 1262 1 4 . 1 1 65 65 LYS N N 65 119.781 119.781 119.704 0.077 19632 1263 1 4 . 1 1 65 65 LYS HA H 65 4.547 4.547 4.545 0.002 19632 1264 1 4 . 1 1 65 65 LYS CA C 65 55.469 55.469 54.860 0.609 19632 1265 1 4 . 1 1 65 65 LYS CB C 65 34.796 34.796 34.050 0.746 19632 1266 1 4 . 1 1 65 65 LYS H H 65 7.592 7.592 7.430 0.162 19632 1267 1 4 . 1 1 66 66 LEU N N 66 125.131 125.131 124.597 0.534 19632 1268 1 4 . 1 1 66 66 LEU HA H 66 4.708 4.708 4.294 0.414 19632 1269 1 4 . 1 1 66 66 LEU CA C 66 54.496 54.496 54.873 -0.377 19632 1270 1 4 . 1 1 66 66 LEU CB C 66 44.010 44.010 42.464 1.546 19632 1271 1 4 . 1 1 66 66 LEU H H 66 8.300 8.300 8.388 -0.088 19632 1272 1 4 . 1 1 67 67 ILE N N 67 124.524 124.524 125.512 -0.988 19632 1273 1 4 . 1 1 67 67 ILE HA H 67 4.447 4.447 4.474 -0.027 19632 1274 1 4 . 1 1 67 67 ILE CA C 67 57.824 57.824 57.166 0.658 19632 1275 1 4 . 1 1 67 67 ILE CB C 67 40.744 40.744 37.871 2.873 19632 1276 1 4 . 1 1 67 67 ILE H H 67 9.427 9.427 8.900 0.527 19632 1277 1 4 . 1 1 68 68 PRO HA H 68 4.649 4.649 4.369 0.280 19632 1278 1 4 . 1 1 68 68 PRO CB C 68 32.644 32.644 32.048 0.596 19632 1279 1 4 . 1 1 69 69 GLN N N 69 119.126 119.126 118.442 0.684 19632 1280 1 4 . 1 1 69 69 GLN HA H 69 3.730 3.730 4.018 -0.288 19632 1281 1 4 . 1 1 69 69 GLN CA C 69 59.447 59.447 58.567 0.880 19632 1282 1 4 . 1 1 69 69 GLN CB C 69 28.819 28.819 28.850 -0.031 19632 1283 1 4 . 1 1 69 69 GLN H H 69 8.386 8.386 8.371 0.015 19632 1284 1 4 . 1 1 70 70 TRP N N 70 112.076 112.076 115.659 -3.583 19632 1285 1 4 . 1 1 70 70 TRP HA H 70 4.525 4.525 4.722 -0.197 19632 1286 1 4 . 1 1 70 70 TRP CA C 70 58.197 58.197 57.361 0.836 19632 1287 1 4 . 1 1 70 70 TRP CB C 70 28.016 28.016 28.561 -0.545 19632 1288 1 4 . 1 1 70 70 TRP H H 70 6.972 6.972 7.472 -0.500 19632 1289 1 4 . 1 1 71 71 GLU N N 71 119.388 119.388 119.990 -0.602 19632 1290 1 4 . 1 1 71 71 GLU HA H 71 4.249 4.249 4.274 -0.025 19632 1291 1 4 . 1 1 71 71 GLU CA C 71 56.654 56.654 57.455 -0.801 19632 1292 1 4 . 1 1 71 71 GLU CB C 71 30.938 30.938 30.087 0.851 19632 1293 1 4 . 1 1 71 71 GLU H H 71 7.386 7.386 7.139 0.247 19632 1294 1 4 . 1 1 72 72 ILE N N 72 115.759 115.759 116.740 -0.981 19632 1295 1 4 . 1 1 72 72 ILE HA H 72 3.324 3.324 3.562 -0.238 19632 1296 1 4 . 1 1 72 72 ILE CA C 72 64.205 64.205 63.617 0.588 19632 1297 1 4 . 1 1 72 72 ILE CB C 72 38.012 38.012 37.458 0.554 19632 1298 1 4 . 1 1 72 72 ILE H H 72 6.754 6.754 7.188 -0.434 19632 1299 1 4 . 1 1 73 73 PHE N N 73 115.942 115.942 118.219 -2.277 19632 1300 1 4 . 1 1 73 73 PHE HA H 73 4.248 4.248 4.443 -0.195 19632 1301 1 4 . 1 1 73 73 PHE CA C 73 56.514 56.514 55.535 0.979 19632 1302 1 4 . 1 1 73 73 PHE CB C 73 38.479 38.479 37.781 0.698 19632 1303 1 4 . 1 1 73 73 PHE H H 73 7.388 7.388 7.585 -0.197 19632 1304 1 4 . 1 1 74 74 SER N N 74 114.787 114.787 115.459 -0.672 19632 1305 1 4 . 1 1 74 74 SER HA H 74 4.358 4.358 4.275 0.083 19632 1306 1 4 . 1 1 74 74 SER CA C 74 58.265 58.265 60.116 -1.851 19632 1307 1 4 . 1 1 74 74 SER CB C 74 63.783 63.783 63.531 0.252 19632 1308 1 4 . 1 1 74 74 SER H H 74 7.203 7.203 7.445 -0.242 19632 1309 1 5 . 1 1 2 2 ALA HA H 2 4.290 4.290 4.628 -0.338 19632 1310 1 5 . 1 1 2 2 ALA CA C 2 53.589 53.589 52.345 1.244 19632 1311 1 5 . 1 1 2 2 ALA CB C 2 19.556 19.556 19.805 -0.249 19632 1312 1 5 . 1 1 5 5 ASP N N 5 116.992 116.992 120.226 -3.234 19632 1313 1 5 . 1 1 5 5 ASP HA H 5 4.622 4.622 4.677 -0.055 19632 1314 1 5 . 1 1 5 5 ASP CA C 5 54.508 54.508 53.438 1.071 19632 1315 1 5 . 1 1 5 5 ASP CB C 5 41.375 41.375 41.805 -0.430 19632 1316 1 5 . 1 1 5 5 ASP H H 5 8.372 8.372 8.419 -0.047 19632 1317 1 5 . 1 1 6 6 ALA N N 6 124.275 124.275 128.057 -3.782 19632 1318 1 5 . 1 1 6 6 ALA HA H 6 4.582 4.582 4.512 0.070 19632 1319 1 5 . 1 1 6 6 ALA CA C 6 48.068 48.068 50.225 -2.157 19632 1320 1 5 . 1 1 6 6 ALA CB C 6 18.765 18.765 19.008 -0.242 19632 1321 1 5 . 1 1 6 6 ALA H H 6 7.984 7.984 8.313 -0.329 19632 1322 1 5 . 1 1 7 7 PRO HA H 7 4.486 4.486 4.566 -0.080 19632 1323 1 5 . 1 1 7 7 PRO CA C 7 63.406 63.406 61.864 1.542 19632 1324 1 5 . 1 1 7 7 PRO CB C 7 32.491 32.491 32.736 -0.245 19632 1325 1 5 . 1 1 8 8 SER N N 8 115.947 115.947 114.870 1.077 19632 1326 1 5 . 1 1 8 8 SER HA H 8 4.483 4.483 4.321 0.162 19632 1327 1 5 . 1 1 8 8 SER CA C 8 58.635 58.635 58.649 -0.014 19632 1328 1 5 . 1 1 8 8 SER CB C 8 64.447 64.447 62.300 2.147 19632 1329 1 5 . 1 1 8 8 SER H H 8 8.424 8.424 8.388 0.036 19632 1330 1 5 . 1 1 9 9 GLY N N 9 109.902 109.902 112.769 -2.867 19632 1331 1 5 . 1 1 9 9 GLY CA C 9 45.804 45.804 44.852 0.952 19632 1332 1 5 . 1 1 9 9 GLY H H 9 8.352 8.352 8.188 0.164 19632 1333 1 5 . 1 1 10 10 GLU N N 10 119.364 119.364 123.829 -4.465 19632 1334 1 5 . 1 1 10 10 GLU HA H 10 4.808 4.808 4.614 0.194 19632 1335 1 5 . 1 1 10 10 GLU CA C 10 53.481 53.481 52.961 0.520 19632 1336 1 5 . 1 1 10 10 GLU CB C 10 30.956 30.956 31.014 -0.058 19632 1337 1 5 . 1 1 10 10 GLU H H 10 8.071 8.071 8.249 -0.178 19632 1338 1 5 . 1 1 11 11 PRO HA H 11 5.012 5.012 4.900 0.112 19632 1339 1 5 . 1 1 11 11 PRO CA C 11 63.350 63.350 62.850 0.499 19632 1340 1 5 . 1 1 11 11 PRO CB C 11 34.176 34.176 31.651 2.525 19632 1341 1 5 . 1 1 12 12 ASP N N 12 122.007 122.007 124.734 -2.727 19632 1342 1 5 . 1 1 12 12 ASP HA H 12 5.030 5.030 4.974 0.056 19632 1343 1 5 . 1 1 12 12 ASP CA C 12 53.249 53.249 53.245 0.004 19632 1344 1 5 . 1 1 12 12 ASP CB C 12 45.006 45.006 45.904 -0.898 19632 1345 1 5 . 1 1 12 12 ASP H H 12 9.396 9.396 9.011 0.385 19632 1346 1 5 . 1 1 13 13 VAL N N 13 120.517 120.517 122.987 -2.470 19632 1347 1 5 . 1 1 13 13 VAL HA H 13 5.090 5.090 4.269 0.821 19632 1348 1 5 . 1 1 13 13 VAL CA C 13 59.653 59.653 60.374 -0.721 19632 1349 1 5 . 1 1 13 13 VAL CB C 13 35.347 35.347 33.413 1.934 19632 1350 1 5 . 1 1 13 13 VAL H H 13 8.402 8.402 8.432 -0.030 19632 1351 1 5 . 1 1 14 14 THR N N 14 122.388 122.388 125.505 -3.117 19632 1352 1 5 . 1 1 14 14 THR HA H 14 4.465 4.465 4.351 0.114 19632 1353 1 5 . 1 1 14 14 THR CA C 14 61.591 61.591 62.354 -0.763 19632 1354 1 5 . 1 1 14 14 THR CB C 14 71.537 71.537 68.138 3.399 19632 1355 1 5 . 1 1 14 14 THR H H 14 8.397 8.397 8.846 -0.449 19632 1356 1 5 . 1 1 15 15 ILE N N 15 125.929 125.929 128.946 -3.017 19632 1357 1 5 . 1 1 15 15 ILE HA H 15 4.882 4.882 4.030 0.852 19632 1358 1 5 . 1 1 15 15 ILE CA C 15 60.655 60.655 61.153 -0.498 19632 1359 1 5 . 1 1 15 15 ILE CB C 15 40.004 40.004 37.668 2.336 19632 1360 1 5 . 1 1 15 15 ILE H H 15 8.628 8.628 8.435 0.193 19632 1361 1 5 . 1 1 16 16 ARG N N 16 125.332 125.332 128.416 -3.084 19632 1362 1 5 . 1 1 16 16 ARG HA H 16 4.662 4.662 4.700 -0.038 19632 1363 1 5 . 1 1 16 16 ARG CA C 16 54.731 54.731 52.795 1.936 19632 1364 1 5 . 1 1 16 16 ARG CB C 16 33.731 33.731 33.393 0.338 19632 1365 1 5 . 1 1 16 16 ARG H H 16 9.057 9.057 8.519 0.538 19632 1366 1 5 . 1 1 17 17 GLN N N 17 121.044 121.044 120.481 0.563 19632 1367 1 5 . 1 1 17 17 GLN HA H 17 4.803 4.803 4.697 0.106 19632 1368 1 5 . 1 1 17 17 GLN CA C 17 55.241 55.241 55.451 -0.210 19632 1369 1 5 . 1 1 17 17 GLN CB C 17 30.461 30.461 30.085 0.376 19632 1370 1 5 . 1 1 17 17 GLN H H 17 8.508 8.508 8.676 -0.168 19632 1371 1 5 . 1 1 18 18 GLU N N 18 125.409 125.409 126.408 -0.999 19632 1372 1 5 . 1 1 18 18 GLU HA H 18 4.529 4.529 4.572 -0.043 19632 1373 1 5 . 1 1 18 18 GLU CA C 18 55.018 55.018 54.643 0.375 19632 1374 1 5 . 1 1 18 18 GLU CB C 18 31.654 31.654 28.808 2.846 19632 1375 1 5 . 1 1 18 18 GLU H H 18 8.394 8.394 8.618 -0.224 19632 1376 1 5 . 1 1 19 19 GLY N N 19 114.286 114.286 116.341 -2.055 19632 1377 1 5 . 1 1 19 19 GLY CA C 19 47.887 47.887 46.550 1.337 19632 1378 1 5 . 1 1 19 19 GLY H H 19 8.804 8.804 8.316 0.488 19632 1379 1 5 . 1 1 20 20 ASP N N 20 124.137 124.137 125.810 -1.673 19632 1380 1 5 . 1 1 20 20 ASP HA H 20 4.536 4.536 4.849 -0.313 19632 1381 1 5 . 1 1 20 20 ASP CA C 20 54.019 54.019 53.836 0.183 19632 1382 1 5 . 1 1 20 20 ASP CB C 20 41.053 41.053 40.645 0.408 19632 1383 1 5 . 1 1 20 20 ASP H H 20 8.519 8.519 8.485 0.034 19632 1384 1 5 . 1 1 21 21 LYS N N 21 116.711 116.711 118.382 -1.671 19632 1385 1 5 . 1 1 21 21 LYS HA H 21 4.648 4.648 5.051 -0.403 19632 1386 1 5 . 1 1 21 21 LYS CA C 21 55.468 55.468 54.813 0.655 19632 1387 1 5 . 1 1 21 21 LYS CB C 21 34.941 34.941 34.605 0.336 19632 1388 1 5 . 1 1 21 21 LYS H H 21 7.696 7.696 7.394 0.302 19632 1389 1 5 . 1 1 22 22 THR N N 22 118.655 118.655 122.693 -4.038 19632 1390 1 5 . 1 1 22 22 THR HA H 22 4.541 4.541 4.575 -0.034 19632 1391 1 5 . 1 1 22 22 THR CA C 22 62.936 62.936 63.078 -0.142 19632 1392 1 5 . 1 1 22 22 THR CB C 22 70.275 70.275 68.825 1.450 19632 1393 1 5 . 1 1 22 22 THR H H 22 7.994 7.994 8.588 -0.594 19632 1394 1 5 . 1 1 23 23 ILE N N 23 126.114 126.114 129.325 -3.211 19632 1395 1 5 . 1 1 23 23 ILE HA H 23 4.699 4.699 3.945 0.754 19632 1396 1 5 . 1 1 23 23 ILE CA C 23 59.119 59.119 60.679 -1.560 19632 1397 1 5 . 1 1 23 23 ILE CB C 23 40.729 40.729 37.648 3.081 19632 1398 1 5 . 1 1 23 23 ILE H H 23 8.957 8.957 9.001 -0.044 19632 1399 1 5 . 1 1 24 24 GLN N N 24 123.560 123.560 128.080 -4.520 19632 1400 1 5 . 1 1 24 24 GLN HA H 24 5.121 5.121 4.851 0.270 19632 1401 1 5 . 1 1 24 24 GLN CA C 24 53.653 53.653 54.133 -0.480 19632 1402 1 5 . 1 1 24 24 GLN CB C 24 30.573 30.573 29.752 0.821 19632 1403 1 5 . 1 1 24 24 GLN H H 24 8.932 8.932 8.735 0.197 19632 1404 1 5 . 1 1 25 25 GLU N N 25 122.651 122.651 125.095 -2.444 19632 1405 1 5 . 1 1 25 25 GLU HA H 25 4.462 4.462 4.570 -0.108 19632 1406 1 5 . 1 1 25 25 GLU CA C 25 55.548 55.548 55.226 0.322 19632 1407 1 5 . 1 1 25 25 GLU CB C 25 32.644 32.644 30.581 2.063 19632 1408 1 5 . 1 1 25 25 GLU H H 25 8.987 8.987 8.863 0.124 19632 1409 1 5 . 1 1 26 26 TYR N N 26 124.044 124.044 127.092 -3.048 19632 1410 1 5 . 1 1 26 26 TYR HA H 26 4.756 4.756 4.276 0.480 19632 1411 1 5 . 1 1 26 26 TYR CA C 26 58.317 58.317 59.382 -1.065 19632 1412 1 5 . 1 1 26 26 TYR CB C 26 38.543 38.543 37.239 1.304 19632 1413 1 5 . 1 1 26 26 TYR H H 26 8.930 8.930 9.190 -0.260 19632 1414 1 5 . 1 1 27 27 ARG N N 27 119.739 119.739 123.573 -3.834 19632 1415 1 5 . 1 1 27 27 ARG HA H 27 5.657 5.657 5.503 0.154 19632 1416 1 5 . 1 1 27 27 ARG CA C 27 53.860 53.860 54.387 -0.527 19632 1417 1 5 . 1 1 27 27 ARG CB C 27 36.310 36.310 34.019 2.291 19632 1418 1 5 . 1 1 27 27 ARG H H 27 8.496 8.496 8.728 -0.232 19632 1419 1 5 . 1 1 28 28 VAL N N 28 115.698 115.698 121.478 -5.780 19632 1420 1 5 . 1 1 28 28 VAL HA H 28 4.526 4.526 4.612 -0.086 19632 1421 1 5 . 1 1 28 28 VAL CA C 28 60.002 60.002 62.025 -2.023 19632 1422 1 5 . 1 1 28 28 VAL CB C 28 34.889 34.889 33.985 0.904 19632 1423 1 5 . 1 1 28 28 VAL H H 28 8.716 8.716 8.466 0.250 19632 1424 1 5 . 1 1 29 29 ASN N N 29 128.827 128.827 116.847 11.980 19632 1425 1 5 . 1 1 29 29 ASN HA H 29 4.309 4.309 4.817 -0.508 19632 1426 1 5 . 1 1 29 29 ASN CA C 29 54.385 54.385 53.839 0.546 19632 1427 1 5 . 1 1 29 29 ASN CB C 29 38.270 38.270 39.364 -1.094 19632 1428 1 5 . 1 1 29 29 ASN H H 29 9.605 9.605 8.246 1.359 19632 1429 1 5 . 1 1 30 30 GLY N N 30 103.111 103.111 108.027 -4.916 19632 1430 1 5 . 1 1 30 30 GLY CA C 30 45.901 45.901 45.046 0.855 19632 1431 1 5 . 1 1 30 30 GLY H H 30 8.784 8.784 8.455 0.329 19632 1432 1 5 . 1 1 31 31 PHE N N 31 123.693 123.693 122.505 1.188 19632 1433 1 5 . 1 1 31 31 PHE HA H 31 4.529 4.529 4.519 0.010 19632 1434 1 5 . 1 1 31 31 PHE CA C 31 57.924 57.924 57.683 0.241 19632 1435 1 5 . 1 1 31 31 PHE CB C 31 40.207 40.207 39.852 0.355 19632 1436 1 5 . 1 1 31 31 PHE H H 31 8.191 8.191 7.772 0.419 19632 1437 1 5 . 1 1 32 32 LEU N N 32 130.348 130.348 129.269 1.079 19632 1438 1 5 . 1 1 32 32 LEU HA H 32 4.427 4.427 4.501 -0.074 19632 1439 1 5 . 1 1 32 32 LEU CA C 32 55.517 55.517 53.971 1.546 19632 1440 1 5 . 1 1 32 32 LEU CB C 32 42.468 42.468 41.710 0.758 19632 1441 1 5 . 1 1 32 32 LEU H H 32 8.171 8.171 8.013 0.158 19632 1442 1 5 . 1 1 33 33 TYR N N 33 124.923 124.923 121.104 3.819 19632 1443 1 5 . 1 1 33 33 TYR HA H 33 4.557 4.557 4.635 -0.078 19632 1444 1 5 . 1 1 33 33 TYR CA C 33 56.404 56.404 55.983 0.421 19632 1445 1 5 . 1 1 33 33 TYR CB C 33 39.131 39.131 40.184 -1.053 19632 1446 1 5 . 1 1 33 33 TYR H H 33 8.415 8.415 8.412 0.002 19632 1447 1 5 . 1 1 34 34 ALA N N 34 120.211 120.211 121.051 -0.840 19632 1448 1 5 . 1 1 34 34 ALA HA H 34 5.528 5.528 5.376 0.152 19632 1449 1 5 . 1 1 34 34 ALA CA C 34 52.196 52.196 51.700 0.496 19632 1450 1 5 . 1 1 34 34 ALA CB C 34 22.633 22.633 22.056 0.577 19632 1451 1 5 . 1 1 34 34 ALA H H 34 7.399 7.399 7.135 0.264 19632 1452 1 5 . 1 1 35 35 ILE N N 35 118.197 118.197 121.983 -3.786 19632 1453 1 5 . 1 1 35 35 ILE HA H 35 5.157 5.157 5.057 0.100 19632 1454 1 5 . 1 1 35 35 ILE CA C 35 60.000 60.000 60.265 -0.265 19632 1455 1 5 . 1 1 35 35 ILE CB C 35 43.639 43.639 41.914 1.725 19632 1456 1 5 . 1 1 35 35 ILE H H 35 9.224 9.224 9.055 0.169 19632 1457 1 5 . 1 1 36 36 LYS N N 36 127.872 127.872 128.731 -0.859 19632 1458 1 5 . 1 1 36 36 LYS HA H 36 4.204 4.204 4.833 -0.629 19632 1459 1 5 . 1 1 36 36 LYS CA C 36 55.245 55.245 54.352 0.893 19632 1460 1 5 . 1 1 36 36 LYS CB C 36 36.092 36.092 34.390 1.702 19632 1461 1 5 . 1 1 36 36 LYS H H 36 9.708 9.708 9.086 0.622 19632 1462 1 5 . 1 1 37 37 VAL N N 37 128.005 128.005 126.901 1.104 19632 1463 1 5 . 1 1 37 37 VAL HA H 37 4.043 4.043 4.038 0.005 19632 1464 1 5 . 1 1 37 37 VAL CA C 37 61.840 61.840 60.737 1.103 19632 1465 1 5 . 1 1 37 37 VAL CB C 37 32.523 32.523 31.707 0.816 19632 1466 1 5 . 1 1 37 37 VAL H H 37 8.551 8.551 7.679 0.872 19632 1467 1 5 . 1 1 38 38 VAL N N 38 125.034 125.034 126.234 -1.200 19632 1468 1 5 . 1 1 38 38 VAL HA H 38 4.277 4.277 4.316 -0.039 19632 1469 1 5 . 1 1 38 38 VAL CA C 38 59.287 59.287 58.825 0.462 19632 1470 1 5 . 1 1 38 38 VAL CB C 38 32.568 32.568 31.959 0.609 19632 1471 1 5 . 1 1 38 38 VAL H H 38 8.668 8.668 8.832 -0.164 19632 1472 1 5 . 1 1 39 39 PRO HA H 39 4.565 4.565 4.959 -0.394 19632 1473 1 5 . 1 1 39 39 PRO CA C 39 62.202 62.202 62.045 0.156 19632 1474 1 5 . 1 1 39 39 PRO CB C 39 32.887 32.887 32.677 0.210 19632 1475 1 5 . 1 1 40 40 LYS N N 40 121.622 121.622 120.979 0.643 19632 1476 1 5 . 1 1 40 40 LYS HA H 40 3.877 3.877 4.012 -0.135 19632 1477 1 5 . 1 1 40 40 LYS CA C 40 58.950 58.950 58.169 0.781 19632 1478 1 5 . 1 1 40 40 LYS CB C 40 32.988 32.988 32.657 0.331 19632 1479 1 5 . 1 1 40 40 LYS H H 40 8.275 8.275 8.759 -0.484 19632 1480 1 5 . 1 1 41 41 HIS N N 41 114.012 114.012 117.959 -3.947 19632 1481 1 5 . 1 1 41 41 HIS HA H 41 4.795 4.795 4.684 0.111 19632 1482 1 5 . 1 1 41 41 HIS CA C 41 54.904 54.904 55.451 -0.547 19632 1483 1 5 . 1 1 41 41 HIS CB C 41 30.835 30.835 29.631 1.204 19632 1484 1 5 . 1 1 41 41 HIS H H 41 8.040 8.040 8.219 -0.179 19632 1485 1 5 . 1 1 42 42 GLY N N 42 109.068 109.068 110.173 -1.105 19632 1486 1 5 . 1 1 42 42 GLY CA C 42 44.482 44.482 44.740 -0.258 19632 1487 1 5 . 1 1 42 42 GLY H H 42 7.966 7.966 8.640 -0.674 19632 1488 1 5 . 1 1 43 43 LYS N N 43 120.287 120.287 118.447 1.840 19632 1489 1 5 . 1 1 43 43 LYS HA H 43 4.680 4.680 4.101 0.579 19632 1490 1 5 . 1 1 43 43 LYS CA C 43 54.392 54.392 56.354 -1.962 19632 1491 1 5 . 1 1 43 43 LYS CB C 43 33.511 33.511 31.507 2.004 19632 1492 1 5 . 1 1 43 43 LYS H H 43 8.209 8.209 7.671 0.538 19632 1493 1 5 . 1 1 44 44 PRO HA H 44 5.013 5.013 4.915 0.098 19632 1494 1 5 . 1 1 44 44 PRO CA C 44 62.744 62.744 62.939 -0.195 19632 1495 1 5 . 1 1 44 44 PRO CB C 44 33.747 33.747 32.186 1.561 19632 1496 1 5 . 1 1 45 45 TYR N N 45 115.140 115.140 118.741 -3.601 19632 1497 1 5 . 1 1 45 45 TYR HA H 45 4.897 4.897 4.788 0.109 19632 1498 1 5 . 1 1 45 45 TYR CA C 45 56.387 56.387 55.844 0.543 19632 1499 1 5 . 1 1 45 45 TYR CB C 45 40.574 40.574 39.745 0.829 19632 1500 1 5 . 1 1 45 45 TYR H H 45 8.176 8.176 8.112 0.064 19632 1501 1 5 . 1 1 46 46 PHE N N 46 115.001 115.001 118.545 -3.544 19632 1502 1 5 . 1 1 46 46 PHE HA H 46 5.662 5.662 4.851 0.811 19632 1503 1 5 . 1 1 46 46 PHE CA C 46 56.395 56.395 56.846 -0.451 19632 1504 1 5 . 1 1 46 46 PHE CB C 46 43.736 43.736 41.177 2.559 19632 1505 1 5 . 1 1 46 46 PHE H H 46 8.607 8.607 9.014 -0.407 19632 1506 1 5 . 1 1 47 47 LEU N N 47 121.747 121.747 124.739 -2.992 19632 1507 1 5 . 1 1 47 47 LEU HA H 47 5.339 5.339 5.038 0.301 19632 1508 1 5 . 1 1 47 47 LEU CA C 47 54.116 54.116 54.164 -0.048 19632 1509 1 5 . 1 1 47 47 LEU CB C 47 44.357 44.357 42.881 1.476 19632 1510 1 5 . 1 1 47 47 LEU H H 47 9.631 9.631 9.272 0.359 19632 1511 1 5 . 1 1 48 48 VAL N N 48 122.850 122.850 125.204 -2.354 19632 1512 1 5 . 1 1 48 48 VAL HA H 48 4.476 4.476 4.199 0.277 19632 1513 1 5 . 1 1 48 48 VAL CA C 48 61.559 61.559 62.165 -0.606 19632 1514 1 5 . 1 1 48 48 VAL CB C 48 35.232 35.232 32.752 2.480 19632 1515 1 5 . 1 1 48 48 VAL H H 48 9.334 9.334 9.354 -0.020 19632 1516 1 5 . 1 1 49 49 ARG N N 49 129.488 129.488 129.305 0.183 19632 1517 1 5 . 1 1 49 49 ARG HA H 49 3.045 3.045 3.645 -0.600 19632 1518 1 5 . 1 1 49 49 ARG CA C 49 56.623 56.623 54.464 2.159 19632 1519 1 5 . 1 1 49 49 ARG CB C 49 31.326 31.326 29.338 1.988 19632 1520 1 5 . 1 1 49 49 ARG H H 49 8.451 8.451 8.547 -0.096 19632 1521 1 5 . 1 1 50 50 ALA N N 50 131.016 131.016 130.406 0.610 19632 1522 1 5 . 1 1 50 50 ALA HA H 50 4.418 4.418 4.280 0.138 19632 1523 1 5 . 1 1 50 50 ALA CA C 50 51.502 51.502 51.323 0.179 19632 1524 1 5 . 1 1 50 50 ALA CB C 50 20.364 20.364 19.891 0.473 19632 1525 1 5 . 1 1 50 50 ALA H H 50 8.524 8.524 8.053 0.471 19632 1526 1 5 . 1 1 51 51 ASP N N 51 112.516 112.516 119.298 -6.782 19632 1527 1 5 . 1 1 51 51 ASP HA H 51 4.413 4.413 4.397 0.016 19632 1528 1 5 . 1 1 51 51 ASP CA C 51 54.301 54.301 54.659 -0.358 19632 1529 1 5 . 1 1 51 51 ASP CB C 51 41.710 41.710 41.196 0.514 19632 1530 1 5 . 1 1 51 51 ASP H H 51 8.597 8.597 8.333 0.264 19632 1531 1 5 . 1 1 52 52 GLY N N 52 106.147 106.147 111.432 -5.285 19632 1532 1 5 . 1 1 52 52 GLY CA C 52 45.499 45.499 44.443 1.056 19632 1533 1 5 . 1 1 52 52 GLY H H 52 8.378 8.378 8.356 0.022 19632 1534 1 5 . 1 1 53 53 SER N N 53 115.000 115.000 116.651 -1.651 19632 1535 1 5 . 1 1 53 53 SER HA H 53 4.439 4.439 4.418 0.021 19632 1536 1 5 . 1 1 53 53 SER CA C 53 60.282 60.282 58.821 1.461 19632 1537 1 5 . 1 1 53 53 SER CB C 53 64.175 64.175 63.256 0.919 19632 1538 1 5 . 1 1 53 53 SER H H 53 8.677 8.677 8.449 0.228 19632 1539 1 5 . 1 1 54 54 ASP N N 54 119.220 119.220 121.011 -1.791 19632 1540 1 5 . 1 1 54 54 ASP HA H 54 4.595 4.595 4.589 0.006 19632 1541 1 5 . 1 1 54 54 ASP CA C 54 55.689 55.689 54.260 1.429 19632 1542 1 5 . 1 1 54 54 ASP CB C 54 41.326 41.326 41.124 0.202 19632 1543 1 5 . 1 1 54 54 ASP H H 54 8.364 8.364 8.003 0.361 19632 1544 1 5 . 1 1 55 55 GLY N N 55 107.460 107.460 107.597 -0.137 19632 1545 1 5 . 1 1 55 55 GLY CA C 55 47.210 47.210 44.779 2.430 19632 1546 1 5 . 1 1 55 55 GLY H H 55 7.801 7.801 8.137 -0.336 19632 1547 1 5 . 1 1 56 56 ASN N N 56 116.076 116.076 118.509 -2.433 19632 1548 1 5 . 1 1 56 56 ASN HA H 56 4.997 4.997 5.010 -0.013 19632 1549 1 5 . 1 1 56 56 ASN CA C 56 53.235 53.235 52.281 0.954 19632 1550 1 5 . 1 1 56 56 ASN CB C 56 41.540 41.540 39.777 1.763 19632 1551 1 5 . 1 1 56 56 ASN H H 56 7.919 7.919 7.837 0.082 19632 1552 1 5 . 1 1 57 57 PHE N N 57 118.405 118.405 124.156 -5.751 19632 1553 1 5 . 1 1 57 57 PHE HA H 57 5.043 5.043 5.268 -0.225 19632 1554 1 5 . 1 1 57 57 PHE CA C 57 56.786 56.786 56.670 0.115 19632 1555 1 5 . 1 1 57 57 PHE CB C 57 44.374 44.374 43.059 1.315 19632 1556 1 5 . 1 1 57 57 PHE H H 57 9.203 9.203 8.592 0.611 19632 1557 1 5 . 1 1 58 58 ILE N N 58 118.503 118.503 120.455 -1.952 19632 1558 1 5 . 1 1 58 58 ILE HA H 58 4.507 4.507 4.577 -0.070 19632 1559 1 5 . 1 1 58 58 ILE CA C 58 60.493 60.493 58.563 1.930 19632 1560 1 5 . 1 1 58 58 ILE CB C 58 42.447 42.447 39.932 2.515 19632 1561 1 5 . 1 1 58 58 ILE H H 58 9.222 9.222 9.226 -0.004 19632 1562 1 5 . 1 1 59 59 ARG N N 59 126.283 126.283 127.163 -0.880 19632 1563 1 5 . 1 1 59 59 ARG HA H 59 5.111 5.111 5.348 -0.237 19632 1564 1 5 . 1 1 59 59 ARG CA C 59 55.839 55.839 56.131 -0.292 19632 1565 1 5 . 1 1 59 59 ARG CB C 59 32.157 32.157 31.168 0.989 19632 1566 1 5 . 1 1 59 59 ARG H H 59 9.298 9.298 8.994 0.304 19632 1567 1 5 . 1 1 60 60 SER N N 60 119.913 119.913 119.104 0.809 19632 1568 1 5 . 1 1 60 60 SER HA H 60 3.887 3.887 4.320 -0.433 19632 1569 1 5 . 1 1 60 60 SER CA C 60 62.373 62.373 60.552 1.821 19632 1570 1 5 . 1 1 60 60 SER CB C 60 62.777 62.777 63.129 -0.352 19632 1571 1 5 . 1 1 60 60 SER H H 60 9.698 9.698 8.710 0.988 19632 1572 1 5 . 1 1 61 61 ASP N N 61 117.504 117.504 120.297 -2.793 19632 1573 1 5 . 1 1 61 61 ASP HA H 61 4.764 4.764 4.719 0.045 19632 1574 1 5 . 1 1 61 61 ASP CA C 61 53.789 53.789 55.859 -2.070 19632 1575 1 5 . 1 1 61 61 ASP CB C 61 40.082 40.082 41.064 -0.982 19632 1576 1 5 . 1 1 61 61 ASP H H 61 8.769 8.769 8.763 0.006 19632 1577 1 5 . 1 1 62 62 GLN N N 62 118.595 118.595 116.846 1.749 19632 1578 1 5 . 1 1 62 62 GLN HA H 62 4.779 4.779 4.807 -0.028 19632 1579 1 5 . 1 1 62 62 GLN CA C 62 54.066 54.066 53.800 0.266 19632 1580 1 5 . 1 1 62 62 GLN CB C 62 30.309 30.309 29.612 0.697 19632 1581 1 5 . 1 1 62 62 GLN H H 62 7.467 7.467 7.481 -0.014 19632 1582 1 5 . 1 1 63 63 PRO HA H 63 4.662 4.662 4.583 0.079 19632 1583 1 5 . 1 1 63 63 PRO CB C 63 32.293 32.293 31.881 0.412 19632 1584 1 5 . 1 1 64 64 ASP N N 64 116.697 116.697 116.930 -0.233 19632 1585 1 5 . 1 1 64 64 ASP HA H 64 4.662 4.662 4.590 0.072 19632 1586 1 5 . 1 1 64 64 ASP CA C 64 54.449 54.449 54.318 0.131 19632 1587 1 5 . 1 1 64 64 ASP CB C 64 41.201 41.201 40.726 0.475 19632 1588 1 5 . 1 1 64 64 ASP H H 64 8.389 8.389 8.707 -0.318 19632 1589 1 5 . 1 1 65 65 LYS N N 65 119.781 119.781 119.589 0.192 19632 1590 1 5 . 1 1 65 65 LYS HA H 65 4.547 4.547 4.515 0.032 19632 1591 1 5 . 1 1 65 65 LYS CA C 65 55.469 55.469 55.404 0.066 19632 1592 1 5 . 1 1 65 65 LYS CB C 65 34.796 34.796 35.182 -0.386 19632 1593 1 5 . 1 1 65 65 LYS H H 65 7.592 7.592 7.525 0.067 19632 1594 1 5 . 1 1 66 66 LEU N N 66 125.131 125.131 120.266 4.865 19632 1595 1 5 . 1 1 66 66 LEU HA H 66 4.708 4.708 4.501 0.207 19632 1596 1 5 . 1 1 66 66 LEU CA C 66 54.496 54.496 54.196 0.300 19632 1597 1 5 . 1 1 66 66 LEU CB C 66 44.010 44.010 44.334 -0.324 19632 1598 1 5 . 1 1 66 66 LEU H H 66 8.300 8.300 8.180 0.120 19632 1599 1 5 . 1 1 67 67 ILE N N 67 124.524 124.524 122.928 1.596 19632 1600 1 5 . 1 1 67 67 ILE HA H 67 4.447 4.447 4.603 -0.156 19632 1601 1 5 . 1 1 67 67 ILE CA C 67 57.824 57.824 56.694 1.130 19632 1602 1 5 . 1 1 67 67 ILE CB C 67 40.744 40.744 38.610 2.134 19632 1603 1 5 . 1 1 67 67 ILE H H 67 9.427 9.427 8.746 0.681 19632 1604 1 5 . 1 1 68 68 PRO HA H 68 4.649 4.649 4.433 0.216 19632 1605 1 5 . 1 1 68 68 PRO CB C 68 32.644 32.644 32.333 0.311 19632 1606 1 5 . 1 1 69 69 GLN N N 69 119.126 119.126 119.514 -0.388 19632 1607 1 5 . 1 1 69 69 GLN HA H 69 3.730 3.730 3.844 -0.114 19632 1608 1 5 . 1 1 69 69 GLN CA C 69 59.447 59.447 59.681 -0.234 19632 1609 1 5 . 1 1 69 69 GLN CB C 69 28.819 28.819 28.688 0.131 19632 1610 1 5 . 1 1 69 69 GLN H H 69 8.386 8.386 8.387 -0.001 19632 1611 1 5 . 1 1 70 70 TRP N N 70 112.076 112.076 115.025 -2.949 19632 1612 1 5 . 1 1 70 70 TRP HA H 70 4.525 4.525 4.604 -0.079 19632 1613 1 5 . 1 1 70 70 TRP CA C 70 58.197 58.197 57.717 0.480 19632 1614 1 5 . 1 1 70 70 TRP CB C 70 28.016 28.016 28.378 -0.362 19632 1615 1 5 . 1 1 70 70 TRP H H 70 6.972 6.972 7.537 -0.565 19632 1616 1 5 . 1 1 71 71 GLU N N 71 119.388 119.388 119.528 -0.140 19632 1617 1 5 . 1 1 71 71 GLU HA H 71 4.249 4.249 4.390 -0.141 19632 1618 1 5 . 1 1 71 71 GLU CA C 71 56.654 56.654 56.600 0.054 19632 1619 1 5 . 1 1 71 71 GLU CB C 71 30.938 30.938 30.078 0.860 19632 1620 1 5 . 1 1 71 71 GLU H H 71 7.386 7.386 7.521 -0.135 19632 1621 1 5 . 1 1 72 72 ILE N N 72 115.759 115.759 116.920 -1.161 19632 1622 1 5 . 1 1 72 72 ILE HA H 72 3.324 3.324 3.690 -0.366 19632 1623 1 5 . 1 1 72 72 ILE CA C 72 64.205 64.205 63.863 0.342 19632 1624 1 5 . 1 1 72 72 ILE CB C 72 38.012 38.012 37.517 0.496 19632 1625 1 5 . 1 1 72 72 ILE H H 72 6.754 6.754 7.615 -0.861 19632 1626 1 5 . 1 1 73 73 PHE N N 73 115.942 115.942 117.040 -1.098 19632 1627 1 5 . 1 1 73 73 PHE HA H 73 4.248 4.248 3.742 0.506 19632 1628 1 5 . 1 1 73 73 PHE CA C 73 56.514 56.514 56.216 0.298 19632 1629 1 5 . 1 1 73 73 PHE CB C 73 38.479 38.479 37.499 0.980 19632 1630 1 5 . 1 1 73 73 PHE H H 73 7.388 7.388 7.405 -0.017 19632 1631 1 5 . 1 1 74 74 SER N N 74 114.787 114.787 115.468 -0.681 19632 1632 1 5 . 1 1 74 74 SER HA H 74 4.358 4.358 4.228 0.130 19632 1633 1 5 . 1 1 74 74 SER CA C 74 58.265 58.265 60.234 -1.970 19632 1634 1 5 . 1 1 74 74 SER CB C 74 63.783 63.783 63.533 0.250 19632 1635 1 5 . 1 1 74 74 SER H H 74 7.203 7.203 7.453 -0.250 19632 1636 1 6 . 1 1 2 2 ALA HA H 2 4.290 4.290 4.298 -0.008 19632 1637 1 6 . 1 1 2 2 ALA CA C 2 53.589 53.589 52.738 0.851 19632 1638 1 6 . 1 1 2 2 ALA CB C 2 19.556 19.556 19.187 0.369 19632 1639 1 6 . 1 1 5 5 ASP N N 5 116.992 116.992 121.347 -4.355 19632 1640 1 6 . 1 1 5 5 ASP HA H 5 4.622 4.622 4.739 -0.117 19632 1641 1 6 . 1 1 5 5 ASP CA C 5 54.508 54.508 53.950 0.558 19632 1642 1 6 . 1 1 5 5 ASP CB C 5 41.375 41.375 41.183 0.192 19632 1643 1 6 . 1 1 5 5 ASP H H 5 8.372 8.372 8.414 -0.042 19632 1644 1 6 . 1 1 6 6 ALA N N 6 124.275 124.275 128.241 -3.966 19632 1645 1 6 . 1 1 6 6 ALA HA H 6 4.582 4.582 4.596 -0.014 19632 1646 1 6 . 1 1 6 6 ALA CA C 6 48.068 48.068 50.364 -2.296 19632 1647 1 6 . 1 1 6 6 ALA CB C 6 18.765 18.765 18.716 0.049 19632 1648 1 6 . 1 1 6 6 ALA H H 6 7.984 7.984 8.298 -0.314 19632 1649 1 6 . 1 1 7 7 PRO HA H 7 4.486 4.486 4.397 0.089 19632 1650 1 6 . 1 1 7 7 PRO CA C 7 63.406 63.406 62.851 0.555 19632 1651 1 6 . 1 1 7 7 PRO CB C 7 32.491 32.491 32.487 0.004 19632 1652 1 6 . 1 1 8 8 SER N N 8 115.947 115.947 117.254 -1.307 19632 1653 1 6 . 1 1 8 8 SER HA H 8 4.483 4.483 4.458 0.025 19632 1654 1 6 . 1 1 8 8 SER CA C 8 58.635 58.635 59.733 -1.098 19632 1655 1 6 . 1 1 8 8 SER CB C 8 64.447 64.447 63.400 1.047 19632 1656 1 6 . 1 1 8 8 SER H H 8 8.424 8.424 8.459 -0.035 19632 1657 1 6 . 1 1 9 9 GLY N N 9 109.902 109.902 112.884 -2.982 19632 1658 1 6 . 1 1 9 9 GLY CA C 9 45.804 45.804 45.742 0.062 19632 1659 1 6 . 1 1 9 9 GLY H H 9 8.352 8.352 8.373 -0.021 19632 1660 1 6 . 1 1 10 10 GLU N N 10 119.364 119.364 118.675 0.689 19632 1661 1 6 . 1 1 10 10 GLU HA H 10 4.808 4.808 4.048 0.760 19632 1662 1 6 . 1 1 10 10 GLU CA C 10 53.481 53.481 56.211 -2.730 19632 1663 1 6 . 1 1 10 10 GLU CB C 10 30.956 30.956 27.656 3.300 19632 1664 1 6 . 1 1 10 10 GLU H H 10 8.071 8.071 8.082 -0.011 19632 1665 1 6 . 1 1 11 11 PRO HA H 11 5.012 5.012 5.043 -0.031 19632 1666 1 6 . 1 1 11 11 PRO CA C 11 63.350 63.350 62.549 0.801 19632 1667 1 6 . 1 1 11 11 PRO CB C 11 34.176 34.176 32.691 1.484 19632 1668 1 6 . 1 1 12 12 ASP N N 12 122.007 122.007 122.683 -0.676 19632 1669 1 6 . 1 1 12 12 ASP HA H 12 5.030 5.030 4.956 0.074 19632 1670 1 6 . 1 1 12 12 ASP CA C 12 53.249 53.249 52.778 0.471 19632 1671 1 6 . 1 1 12 12 ASP CB C 12 45.006 45.006 44.307 0.699 19632 1672 1 6 . 1 1 12 12 ASP H H 12 9.396 9.396 9.068 0.328 19632 1673 1 6 . 1 1 13 13 VAL N N 13 120.517 120.517 121.986 -1.469 19632 1674 1 6 . 1 1 13 13 VAL HA H 13 5.090 5.090 4.723 0.367 19632 1675 1 6 . 1 1 13 13 VAL CA C 13 59.653 59.653 60.037 -0.384 19632 1676 1 6 . 1 1 13 13 VAL CB C 13 35.347 35.347 34.213 1.134 19632 1677 1 6 . 1 1 13 13 VAL H H 13 8.402 8.402 8.385 0.017 19632 1678 1 6 . 1 1 14 14 THR N N 14 122.388 122.388 125.650 -3.262 19632 1679 1 6 . 1 1 14 14 THR HA H 14 4.465 4.465 4.435 0.030 19632 1680 1 6 . 1 1 14 14 THR CA C 14 61.591 61.591 62.275 -0.684 19632 1681 1 6 . 1 1 14 14 THR CB C 14 71.537 71.537 68.781 2.756 19632 1682 1 6 . 1 1 14 14 THR H H 14 8.397 8.397 8.821 -0.424 19632 1683 1 6 . 1 1 15 15 ILE N N 15 125.929 125.929 128.664 -2.735 19632 1684 1 6 . 1 1 15 15 ILE HA H 15 4.882 4.882 4.072 0.810 19632 1685 1 6 . 1 1 15 15 ILE CA C 15 60.655 60.655 61.324 -0.669 19632 1686 1 6 . 1 1 15 15 ILE CB C 15 40.004 40.004 37.421 2.583 19632 1687 1 6 . 1 1 15 15 ILE H H 15 8.628 8.628 8.453 0.175 19632 1688 1 6 . 1 1 16 16 ARG N N 16 125.332 125.332 127.661 -2.329 19632 1689 1 6 . 1 1 16 16 ARG HA H 16 4.662 4.662 4.702 -0.040 19632 1690 1 6 . 1 1 16 16 ARG CA C 16 54.731 54.731 52.931 1.800 19632 1691 1 6 . 1 1 16 16 ARG CB C 16 33.731 33.731 32.996 0.735 19632 1692 1 6 . 1 1 16 16 ARG H H 16 9.057 9.057 8.665 0.392 19632 1693 1 6 . 1 1 17 17 GLN N N 17 121.044 121.044 120.967 0.077 19632 1694 1 6 . 1 1 17 17 GLN HA H 17 4.803 4.803 4.763 0.040 19632 1695 1 6 . 1 1 17 17 GLN CA C 17 55.241 55.241 55.461 -0.220 19632 1696 1 6 . 1 1 17 17 GLN CB C 17 30.461 30.461 30.334 0.127 19632 1697 1 6 . 1 1 17 17 GLN H H 17 8.508 8.508 8.477 0.031 19632 1698 1 6 . 1 1 18 18 GLU N N 18 125.409 125.409 125.005 0.404 19632 1699 1 6 . 1 1 18 18 GLU HA H 18 4.529 4.529 4.616 -0.087 19632 1700 1 6 . 1 1 18 18 GLU CA C 18 55.018 55.018 56.262 -1.244 19632 1701 1 6 . 1 1 18 18 GLU CB C 18 31.654 31.654 31.747 -0.094 19632 1702 1 6 . 1 1 18 18 GLU H H 18 8.394 8.394 8.506 -0.112 19632 1703 1 6 . 1 1 19 19 GLY N N 19 114.286 114.286 108.031 6.255 19632 1704 1 6 . 1 1 19 19 GLY CA C 19 47.887 47.887 45.285 2.602 19632 1705 1 6 . 1 1 19 19 GLY H H 19 8.804 8.804 7.813 0.991 19632 1706 1 6 . 1 1 20 20 ASP N N 20 124.137 124.137 118.628 5.509 19632 1707 1 6 . 1 1 20 20 ASP HA H 20 4.536 4.536 4.305 0.231 19632 1708 1 6 . 1 1 20 20 ASP CA C 20 54.019 54.019 55.986 -1.967 19632 1709 1 6 . 1 1 20 20 ASP CB C 20 41.053 41.053 40.819 0.234 19632 1710 1 6 . 1 1 20 20 ASP H H 20 8.519 8.519 8.663 -0.144 19632 1711 1 6 . 1 1 21 21 LYS N N 21 116.711 116.711 119.776 -3.065 19632 1712 1 6 . 1 1 21 21 LYS HA H 21 4.648 4.648 4.528 0.120 19632 1713 1 6 . 1 1 21 21 LYS CA C 21 55.468 55.468 55.779 -0.311 19632 1714 1 6 . 1 1 21 21 LYS CB C 21 34.941 34.941 32.970 1.971 19632 1715 1 6 . 1 1 21 21 LYS H H 21 7.696 7.696 7.200 0.496 19632 1716 1 6 . 1 1 22 22 THR N N 22 118.655 118.655 122.616 -3.961 19632 1717 1 6 . 1 1 22 22 THR HA H 22 4.541 4.541 4.525 0.016 19632 1718 1 6 . 1 1 22 22 THR CA C 22 62.936 62.936 63.528 -0.592 19632 1719 1 6 . 1 1 22 22 THR CB C 22 70.275 70.275 69.099 1.176 19632 1720 1 6 . 1 1 22 22 THR H H 22 7.994 7.994 8.497 -0.503 19632 1721 1 6 . 1 1 23 23 ILE N N 23 126.114 126.114 129.155 -3.041 19632 1722 1 6 . 1 1 23 23 ILE HA H 23 4.699 4.699 4.219 0.480 19632 1723 1 6 . 1 1 23 23 ILE CA C 23 59.119 59.119 60.154 -1.035 19632 1724 1 6 . 1 1 23 23 ILE CB C 23 40.729 40.729 37.799 2.930 19632 1725 1 6 . 1 1 23 23 ILE H H 23 8.957 8.957 9.245 -0.288 19632 1726 1 6 . 1 1 24 24 GLN N N 24 123.560 123.560 127.761 -4.201 19632 1727 1 6 . 1 1 24 24 GLN HA H 24 5.121 5.121 4.716 0.405 19632 1728 1 6 . 1 1 24 24 GLN CA C 24 53.653 53.653 54.092 -0.439 19632 1729 1 6 . 1 1 24 24 GLN CB C 24 30.573 30.573 29.486 1.087 19632 1730 1 6 . 1 1 24 24 GLN H H 24 8.932 8.932 8.982 -0.050 19632 1731 1 6 . 1 1 25 25 GLU N N 25 122.651 122.651 125.042 -2.391 19632 1732 1 6 . 1 1 25 25 GLU HA H 25 4.462 4.462 4.463 -0.001 19632 1733 1 6 . 1 1 25 25 GLU CA C 25 55.548 55.548 55.330 0.218 19632 1734 1 6 . 1 1 25 25 GLU CB C 25 32.644 32.644 30.522 2.122 19632 1735 1 6 . 1 1 25 25 GLU H H 25 8.987 8.987 8.845 0.142 19632 1736 1 6 . 1 1 26 26 TYR N N 26 124.044 124.044 126.487 -2.443 19632 1737 1 6 . 1 1 26 26 TYR HA H 26 4.756 4.756 4.384 0.372 19632 1738 1 6 . 1 1 26 26 TYR CA C 26 58.317 58.317 58.583 -0.265 19632 1739 1 6 . 1 1 26 26 TYR CB C 26 38.543 38.543 37.426 1.117 19632 1740 1 6 . 1 1 26 26 TYR H H 26 8.930 8.930 9.104 -0.174 19632 1741 1 6 . 1 1 27 27 ARG N N 27 119.739 119.739 124.689 -4.950 19632 1742 1 6 . 1 1 27 27 ARG HA H 27 5.657 5.657 5.141 0.516 19632 1743 1 6 . 1 1 27 27 ARG CA C 27 53.860 53.860 54.902 -1.042 19632 1744 1 6 . 1 1 27 27 ARG CB C 27 36.310 36.310 32.163 4.146 19632 1745 1 6 . 1 1 27 27 ARG H H 27 8.496 8.496 8.986 -0.490 19632 1746 1 6 . 1 1 28 28 VAL N N 28 115.698 115.698 125.502 -9.804 19632 1747 1 6 . 1 1 28 28 VAL HA H 28 4.526 4.526 4.149 0.377 19632 1748 1 6 . 1 1 28 28 VAL CA C 28 60.002 60.002 65.603 -5.601 19632 1749 1 6 . 1 1 28 28 VAL CB C 28 34.889 34.889 32.833 2.056 19632 1750 1 6 . 1 1 28 28 VAL H H 28 8.716 8.716 8.812 -0.096 19632 1751 1 6 . 1 1 29 29 ASN N N 29 128.827 128.827 118.843 9.984 19632 1752 1 6 . 1 1 29 29 ASN HA H 29 4.309 4.309 4.804 -0.495 19632 1753 1 6 . 1 1 29 29 ASN CA C 29 54.385 54.385 52.947 1.438 19632 1754 1 6 . 1 1 29 29 ASN CB C 29 38.270 38.270 37.323 0.947 19632 1755 1 6 . 1 1 29 29 ASN H H 29 9.605 9.605 8.456 1.149 19632 1756 1 6 . 1 1 30 30 GLY N N 30 103.111 103.111 107.600 -4.489 19632 1757 1 6 . 1 1 30 30 GLY CA C 30 45.901 45.901 45.850 0.051 19632 1758 1 6 . 1 1 30 30 GLY H H 30 8.784 8.784 8.585 0.199 19632 1759 1 6 . 1 1 31 31 PHE N N 31 123.693 123.693 120.075 3.618 19632 1760 1 6 . 1 1 31 31 PHE HA H 31 4.529 4.529 4.792 -0.263 19632 1761 1 6 . 1 1 31 31 PHE CA C 31 57.924 57.924 56.134 1.790 19632 1762 1 6 . 1 1 31 31 PHE CB C 31 40.207 40.207 41.768 -1.561 19632 1763 1 6 . 1 1 31 31 PHE H H 31 8.191 8.191 7.916 0.275 19632 1764 1 6 . 1 1 32 32 LEU N N 32 130.348 130.348 128.774 1.574 19632 1765 1 6 . 1 1 32 32 LEU HA H 32 4.427 4.427 4.483 -0.056 19632 1766 1 6 . 1 1 32 32 LEU CA C 32 55.517 55.517 54.867 0.650 19632 1767 1 6 . 1 1 32 32 LEU CB C 32 42.468 42.468 42.462 0.006 19632 1768 1 6 . 1 1 32 32 LEU H H 32 8.171 8.171 8.492 -0.321 19632 1769 1 6 . 1 1 33 33 TYR N N 33 124.923 124.923 120.232 4.691 19632 1770 1 6 . 1 1 33 33 TYR HA H 33 4.557 4.557 4.721 -0.164 19632 1771 1 6 . 1 1 33 33 TYR CA C 33 56.404 56.404 56.531 -0.127 19632 1772 1 6 . 1 1 33 33 TYR CB C 33 39.131 39.131 40.505 -1.374 19632 1773 1 6 . 1 1 33 33 TYR H H 33 8.415 8.415 8.894 -0.479 19632 1774 1 6 . 1 1 34 34 ALA N N 34 120.211 120.211 120.898 -0.687 19632 1775 1 6 . 1 1 34 34 ALA HA H 34 5.528 5.528 5.235 0.293 19632 1776 1 6 . 1 1 34 34 ALA CA C 34 52.196 52.196 51.285 0.911 19632 1777 1 6 . 1 1 34 34 ALA CB C 34 22.633 22.633 22.364 0.269 19632 1778 1 6 . 1 1 34 34 ALA H H 34 7.399 7.399 7.138 0.261 19632 1779 1 6 . 1 1 35 35 ILE N N 35 118.197 118.197 121.464 -3.267 19632 1780 1 6 . 1 1 35 35 ILE HA H 35 5.157 5.157 4.964 0.193 19632 1781 1 6 . 1 1 35 35 ILE CA C 35 60.000 60.000 60.287 -0.287 19632 1782 1 6 . 1 1 35 35 ILE CB C 35 43.639 43.639 41.848 1.791 19632 1783 1 6 . 1 1 35 35 ILE H H 35 9.224 9.224 8.787 0.437 19632 1784 1 6 . 1 1 36 36 LYS N N 36 127.872 127.872 128.647 -0.775 19632 1785 1 6 . 1 1 36 36 LYS HA H 36 4.204 4.204 4.695 -0.491 19632 1786 1 6 . 1 1 36 36 LYS CA C 36 55.245 55.245 54.493 0.752 19632 1787 1 6 . 1 1 36 36 LYS CB C 36 36.092 36.092 33.948 2.144 19632 1788 1 6 . 1 1 36 36 LYS H H 36 9.708 9.708 9.051 0.657 19632 1789 1 6 . 1 1 37 37 VAL N N 37 128.005 128.005 127.990 0.015 19632 1790 1 6 . 1 1 37 37 VAL HA H 37 4.043 4.043 4.422 -0.379 19632 1791 1 6 . 1 1 37 37 VAL CA C 37 61.840 61.840 60.883 0.957 19632 1792 1 6 . 1 1 37 37 VAL CB C 37 32.523 32.523 32.630 -0.107 19632 1793 1 6 . 1 1 37 37 VAL H H 37 8.551 8.551 8.029 0.522 19632 1794 1 6 . 1 1 38 38 VAL N N 38 125.034 125.034 125.795 -0.761 19632 1795 1 6 . 1 1 38 38 VAL HA H 38 4.277 4.277 4.357 -0.080 19632 1796 1 6 . 1 1 38 38 VAL CA C 38 59.287 59.287 58.350 0.937 19632 1797 1 6 . 1 1 38 38 VAL CB C 38 32.568 32.568 30.933 1.635 19632 1798 1 6 . 1 1 38 38 VAL H H 38 8.668 8.668 9.106 -0.438 19632 1799 1 6 . 1 1 39 39 PRO HA H 39 4.565 4.565 4.708 -0.143 19632 1800 1 6 . 1 1 39 39 PRO CA C 39 62.202 62.202 62.240 -0.038 19632 1801 1 6 . 1 1 39 39 PRO CB C 39 32.887 32.887 32.814 0.073 19632 1802 1 6 . 1 1 40 40 LYS N N 40 121.622 121.622 121.867 -0.245 19632 1803 1 6 . 1 1 40 40 LYS HA H 40 3.877 3.877 3.974 -0.097 19632 1804 1 6 . 1 1 40 40 LYS CA C 40 58.950 58.950 57.998 0.952 19632 1805 1 6 . 1 1 40 40 LYS CB C 40 32.988 32.988 32.122 0.866 19632 1806 1 6 . 1 1 40 40 LYS H H 40 8.275 8.275 8.607 -0.332 19632 1807 1 6 . 1 1 41 41 HIS N N 41 114.012 114.012 116.874 -2.862 19632 1808 1 6 . 1 1 41 41 HIS HA H 41 4.795 4.795 4.652 0.143 19632 1809 1 6 . 1 1 41 41 HIS CA C 41 54.904 54.904 55.778 -0.874 19632 1810 1 6 . 1 1 41 41 HIS CB C 41 30.835 30.835 27.974 2.861 19632 1811 1 6 . 1 1 41 41 HIS H H 41 8.040 8.040 7.758 0.282 19632 1812 1 6 . 1 1 42 42 GLY N N 42 109.068 109.068 110.072 -1.004 19632 1813 1 6 . 1 1 42 42 GLY CA C 42 44.482 44.482 45.113 -0.631 19632 1814 1 6 . 1 1 42 42 GLY H H 42 7.966 7.966 8.395 -0.429 19632 1815 1 6 . 1 1 43 43 LYS N N 43 120.287 120.287 118.646 1.641 19632 1816 1 6 . 1 1 43 43 LYS HA H 43 4.680 4.680 4.083 0.597 19632 1817 1 6 . 1 1 43 43 LYS CA C 43 54.392 54.392 56.346 -1.954 19632 1818 1 6 . 1 1 43 43 LYS CB C 43 33.511 33.511 31.782 1.730 19632 1819 1 6 . 1 1 43 43 LYS H H 43 8.209 8.209 7.888 0.321 19632 1820 1 6 . 1 1 44 44 PRO HA H 44 5.013 5.013 4.904 0.109 19632 1821 1 6 . 1 1 44 44 PRO CA C 44 62.744 62.744 62.791 -0.047 19632 1822 1 6 . 1 1 44 44 PRO CB C 44 33.747 33.747 32.083 1.665 19632 1823 1 6 . 1 1 45 45 TYR N N 45 115.140 115.140 119.218 -4.078 19632 1824 1 6 . 1 1 45 45 TYR HA H 45 4.897 4.897 4.799 0.098 19632 1825 1 6 . 1 1 45 45 TYR CA C 45 56.387 56.387 55.662 0.725 19632 1826 1 6 . 1 1 45 45 TYR CB C 45 40.574 40.574 40.509 0.065 19632 1827 1 6 . 1 1 45 45 TYR H H 45 8.176 8.176 8.515 -0.339 19632 1828 1 6 . 1 1 46 46 PHE N N 46 115.001 115.001 118.749 -3.748 19632 1829 1 6 . 1 1 46 46 PHE HA H 46 5.662 5.662 4.937 0.725 19632 1830 1 6 . 1 1 46 46 PHE CA C 46 56.395 56.395 56.738 -0.343 19632 1831 1 6 . 1 1 46 46 PHE CB C 46 43.736 43.736 41.172 2.564 19632 1832 1 6 . 1 1 46 46 PHE H H 46 8.607 8.607 9.398 -0.791 19632 1833 1 6 . 1 1 47 47 LEU N N 47 121.747 121.747 127.443 -5.696 19632 1834 1 6 . 1 1 47 47 LEU HA H 47 5.339 5.339 5.143 0.196 19632 1835 1 6 . 1 1 47 47 LEU CA C 47 54.116 54.116 53.923 0.193 19632 1836 1 6 . 1 1 47 47 LEU CB C 47 44.357 44.357 43.259 1.098 19632 1837 1 6 . 1 1 47 47 LEU H H 47 9.631 9.631 9.235 0.396 19632 1838 1 6 . 1 1 48 48 VAL N N 48 122.850 122.850 128.120 -5.270 19632 1839 1 6 . 1 1 48 48 VAL HA H 48 4.476 4.476 4.314 0.162 19632 1840 1 6 . 1 1 48 48 VAL CA C 48 61.559 61.559 61.913 -0.354 19632 1841 1 6 . 1 1 48 48 VAL CB C 48 35.232 35.232 32.507 2.725 19632 1842 1 6 . 1 1 48 48 VAL H H 48 9.334 9.334 9.341 -0.007 19632 1843 1 6 . 1 1 49 49 ARG N N 49 129.488 129.488 129.206 0.282 19632 1844 1 6 . 1 1 49 49 ARG HA H 49 3.045 3.045 3.751 -0.706 19632 1845 1 6 . 1 1 49 49 ARG CA C 49 56.623 56.623 55.006 1.617 19632 1846 1 6 . 1 1 49 49 ARG CB C 49 31.326 31.326 29.825 1.501 19632 1847 1 6 . 1 1 49 49 ARG H H 49 8.451 8.451 8.089 0.362 19632 1848 1 6 . 1 1 50 50 ALA N N 50 131.016 131.016 130.301 0.715 19632 1849 1 6 . 1 1 50 50 ALA HA H 50 4.418 4.418 4.272 0.146 19632 1850 1 6 . 1 1 50 50 ALA CA C 50 51.502 51.502 51.538 -0.035 19632 1851 1 6 . 1 1 50 50 ALA CB C 50 20.364 20.364 19.734 0.630 19632 1852 1 6 . 1 1 50 50 ALA H H 50 8.524 8.524 8.596 -0.072 19632 1853 1 6 . 1 1 51 51 ASP N N 51 112.516 112.516 118.172 -5.656 19632 1854 1 6 . 1 1 51 51 ASP HA H 51 4.413 4.413 4.502 -0.089 19632 1855 1 6 . 1 1 51 51 ASP CA C 51 54.301 54.301 53.770 0.531 19632 1856 1 6 . 1 1 51 51 ASP CB C 51 41.710 41.710 41.840 -0.130 19632 1857 1 6 . 1 1 51 51 ASP H H 51 8.597 8.597 8.178 0.419 19632 1858 1 6 . 1 1 52 52 GLY N N 52 106.147 106.147 107.489 -1.342 19632 1859 1 6 . 1 1 52 52 GLY CA C 52 45.499 45.499 46.573 -1.074 19632 1860 1 6 . 1 1 52 52 GLY H H 52 8.378 8.378 8.713 -0.335 19632 1861 1 6 . 1 1 53 53 SER N N 53 115.000 115.000 115.658 -0.658 19632 1862 1 6 . 1 1 53 53 SER HA H 53 4.439 4.439 4.220 0.219 19632 1863 1 6 . 1 1 53 53 SER CA C 53 60.282 60.282 59.958 0.324 19632 1864 1 6 . 1 1 53 53 SER CB C 53 64.175 64.175 63.295 0.880 19632 1865 1 6 . 1 1 53 53 SER H H 53 8.677 8.677 7.742 0.935 19632 1866 1 6 . 1 1 54 54 ASP N N 54 119.220 119.220 120.991 -1.771 19632 1867 1 6 . 1 1 54 54 ASP HA H 54 4.595 4.595 4.554 0.041 19632 1868 1 6 . 1 1 54 54 ASP CA C 54 55.689 55.689 54.710 0.979 19632 1869 1 6 . 1 1 54 54 ASP CB C 54 41.326 41.326 41.844 -0.518 19632 1870 1 6 . 1 1 54 54 ASP H H 54 8.364 8.364 8.331 0.033 19632 1871 1 6 . 1 1 55 55 GLY N N 55 107.460 107.460 109.459 -1.999 19632 1872 1 6 . 1 1 55 55 GLY CA C 55 47.210 47.210 45.839 1.371 19632 1873 1 6 . 1 1 55 55 GLY H H 55 7.801 7.801 8.512 -0.711 19632 1874 1 6 . 1 1 56 56 ASN N N 56 116.076 116.076 116.659 -0.583 19632 1875 1 6 . 1 1 56 56 ASN HA H 56 4.997 4.997 4.995 0.002 19632 1876 1 6 . 1 1 56 56 ASN CA C 56 53.235 53.235 52.756 0.479 19632 1877 1 6 . 1 1 56 56 ASN CB C 56 41.540 41.540 41.000 0.540 19632 1878 1 6 . 1 1 56 56 ASN H H 56 7.919 7.919 7.644 0.275 19632 1879 1 6 . 1 1 57 57 PHE N N 57 118.405 118.405 119.262 -0.857 19632 1880 1 6 . 1 1 57 57 PHE HA H 57 5.043 5.043 5.055 -0.012 19632 1881 1 6 . 1 1 57 57 PHE CA C 57 56.786 56.786 56.372 0.414 19632 1882 1 6 . 1 1 57 57 PHE CB C 57 44.374 44.374 41.851 2.523 19632 1883 1 6 . 1 1 57 57 PHE H H 57 9.203 9.203 8.168 1.035 19632 1884 1 6 . 1 1 58 58 ILE N N 58 118.503 118.503 121.188 -2.685 19632 1885 1 6 . 1 1 58 58 ILE HA H 58 4.507 4.507 4.590 -0.083 19632 1886 1 6 . 1 1 58 58 ILE CA C 58 60.493 60.493 58.977 1.516 19632 1887 1 6 . 1 1 58 58 ILE CB C 58 42.447 42.447 39.768 2.679 19632 1888 1 6 . 1 1 58 58 ILE H H 58 9.222 9.222 9.373 -0.151 19632 1889 1 6 . 1 1 59 59 ARG N N 59 126.283 126.283 127.720 -1.437 19632 1890 1 6 . 1 1 59 59 ARG HA H 59 5.111 5.111 5.010 0.101 19632 1891 1 6 . 1 1 59 59 ARG CA C 59 55.839 55.839 55.382 0.457 19632 1892 1 6 . 1 1 59 59 ARG CB C 59 32.157 32.157 31.939 0.218 19632 1893 1 6 . 1 1 59 59 ARG H H 59 9.298 9.298 8.334 0.964 19632 1894 1 6 . 1 1 60 60 SER N N 60 119.913 119.913 123.717 -3.804 19632 1895 1 6 . 1 1 60 60 SER HA H 60 3.887 3.887 4.237 -0.350 19632 1896 1 6 . 1 1 60 60 SER CA C 60 62.373 62.373 61.386 0.987 19632 1897 1 6 . 1 1 60 60 SER CB C 60 62.777 62.777 63.308 -0.531 19632 1898 1 6 . 1 1 60 60 SER H H 60 9.698 9.698 9.431 0.267 19632 1899 1 6 . 1 1 61 61 ASP N N 61 117.504 117.504 120.383 -2.879 19632 1900 1 6 . 1 1 61 61 ASP HA H 61 4.764 4.764 4.497 0.267 19632 1901 1 6 . 1 1 61 61 ASP CA C 61 53.789 53.789 56.136 -2.347 19632 1902 1 6 . 1 1 61 61 ASP CB C 61 40.082 40.082 41.020 -0.938 19632 1903 1 6 . 1 1 61 61 ASP H H 61 8.769 8.769 8.653 0.116 19632 1904 1 6 . 1 1 62 62 GLN N N 62 118.595 118.595 116.036 2.559 19632 1905 1 6 . 1 1 62 62 GLN HA H 62 4.779 4.779 4.847 -0.068 19632 1906 1 6 . 1 1 62 62 GLN CA C 62 54.066 54.066 53.865 0.201 19632 1907 1 6 . 1 1 62 62 GLN CB C 62 30.309 30.309 30.429 -0.120 19632 1908 1 6 . 1 1 62 62 GLN H H 62 7.467 7.467 7.592 -0.125 19632 1909 1 6 . 1 1 63 63 PRO HA H 63 4.662 4.662 4.342 0.320 19632 1910 1 6 . 1 1 63 63 PRO CB C 63 32.293 32.293 31.913 0.380 19632 1911 1 6 . 1 1 64 64 ASP N N 64 116.697 116.697 117.424 -0.727 19632 1912 1 6 . 1 1 64 64 ASP HA H 64 4.662 4.662 4.544 0.118 19632 1913 1 6 . 1 1 64 64 ASP CA C 64 54.449 54.449 55.015 -0.566 19632 1914 1 6 . 1 1 64 64 ASP CB C 64 41.201 41.201 40.840 0.361 19632 1915 1 6 . 1 1 64 64 ASP H H 64 8.389 8.389 8.354 0.035 19632 1916 1 6 . 1 1 65 65 LYS N N 65 119.781 119.781 121.531 -1.750 19632 1917 1 6 . 1 1 65 65 LYS HA H 65 4.547 4.547 4.445 0.102 19632 1918 1 6 . 1 1 65 65 LYS CA C 65 55.469 55.469 55.537 -0.068 19632 1919 1 6 . 1 1 65 65 LYS CB C 65 34.796 34.796 32.834 1.962 19632 1920 1 6 . 1 1 65 65 LYS H H 65 7.592 7.592 7.579 0.013 19632 1921 1 6 . 1 1 66 66 LEU N N 66 125.131 125.131 126.786 -1.655 19632 1922 1 6 . 1 1 66 66 LEU HA H 66 4.708 4.708 4.492 0.216 19632 1923 1 6 . 1 1 66 66 LEU CA C 66 54.496 54.496 54.389 0.107 19632 1924 1 6 . 1 1 66 66 LEU CB C 66 44.010 44.010 42.796 1.214 19632 1925 1 6 . 1 1 66 66 LEU H H 66 8.300 8.300 8.427 -0.127 19632 1926 1 6 . 1 1 67 67 ILE N N 67 124.524 124.524 124.878 -0.354 19632 1927 1 6 . 1 1 67 67 ILE HA H 67 4.447 4.447 4.398 0.049 19632 1928 1 6 . 1 1 67 67 ILE CA C 67 57.824 57.824 57.286 0.538 19632 1929 1 6 . 1 1 67 67 ILE CB C 67 40.744 40.744 37.668 3.076 19632 1930 1 6 . 1 1 67 67 ILE H H 67 9.427 9.427 8.941 0.486 19632 1931 1 6 . 1 1 68 68 PRO HA H 68 4.649 4.649 4.315 0.334 19632 1932 1 6 . 1 1 68 68 PRO CB C 68 32.644 32.644 32.264 0.380 19632 1933 1 6 . 1 1 69 69 GLN N N 69 119.126 119.126 117.289 1.837 19632 1934 1 6 . 1 1 69 69 GLN HA H 69 3.730 3.730 4.072 -0.342 19632 1935 1 6 . 1 1 69 69 GLN CA C 69 59.447 59.447 57.703 1.744 19632 1936 1 6 . 1 1 69 69 GLN CB C 69 28.819 28.819 28.700 0.119 19632 1937 1 6 . 1 1 69 69 GLN H H 69 8.386 8.386 8.235 0.151 19632 1938 1 6 . 1 1 70 70 TRP N N 70 112.076 112.076 114.749 -2.673 19632 1939 1 6 . 1 1 70 70 TRP HA H 70 4.525 4.525 4.563 -0.038 19632 1940 1 6 . 1 1 70 70 TRP CA C 70 58.197 58.197 57.057 1.140 19632 1941 1 6 . 1 1 70 70 TRP CB C 70 28.016 28.016 29.092 -1.076 19632 1942 1 6 . 1 1 70 70 TRP H H 70 6.972 6.972 7.087 -0.115 19632 1943 1 6 . 1 1 71 71 GLU N N 71 119.388 119.388 119.918 -0.530 19632 1944 1 6 . 1 1 71 71 GLU HA H 71 4.249 4.249 3.974 0.275 19632 1945 1 6 . 1 1 71 71 GLU CA C 71 56.654 56.654 57.434 -0.780 19632 1946 1 6 . 1 1 71 71 GLU CB C 71 30.938 30.938 29.824 1.114 19632 1947 1 6 . 1 1 71 71 GLU H H 71 7.386 7.386 6.935 0.451 19632 1948 1 6 . 1 1 72 72 ILE N N 72 115.759 115.759 116.691 -0.932 19632 1949 1 6 . 1 1 72 72 ILE HA H 72 3.324 3.324 3.522 -0.198 19632 1950 1 6 . 1 1 72 72 ILE CA C 72 64.205 64.205 64.311 -0.105 19632 1951 1 6 . 1 1 72 72 ILE CB C 72 38.012 38.012 37.459 0.553 19632 1952 1 6 . 1 1 72 72 ILE H H 72 6.754 6.754 7.011 -0.257 19632 1953 1 6 . 1 1 73 73 PHE N N 73 115.942 115.942 112.961 2.981 19632 1954 1 6 . 1 1 73 73 PHE HA H 73 4.248 4.248 3.976 0.272 19632 1955 1 6 . 1 1 73 73 PHE CA C 73 56.514 56.514 54.439 2.075 19632 1956 1 6 . 1 1 73 73 PHE CB C 73 38.479 38.479 38.008 0.471 19632 1957 1 6 . 1 1 73 73 PHE H H 73 7.388 7.388 6.790 0.598 19632 1958 1 6 . 1 1 74 74 SER N N 74 114.787 114.787 116.757 -1.970 19632 1959 1 6 . 1 1 74 74 SER HA H 74 4.358 4.358 4.002 0.356 19632 1960 1 6 . 1 1 74 74 SER CA C 74 58.265 58.265 61.004 -2.739 19632 1961 1 6 . 1 1 74 74 SER CB C 74 63.783 63.783 63.614 0.169 19632 1962 1 6 . 1 1 74 74 SER H H 74 7.203 7.203 7.555 -0.352 19632 1963 1 7 . 1 1 2 2 ALA HA H 2 4.290 4.290 4.710 -0.420 19632 1964 1 7 . 1 1 2 2 ALA CA C 2 53.589 53.589 51.605 1.984 19632 1965 1 7 . 1 1 2 2 ALA CB C 2 19.556 19.556 18.805 0.751 19632 1966 1 7 . 1 1 5 5 ASP N N 5 116.992 116.992 121.256 -4.264 19632 1967 1 7 . 1 1 5 5 ASP HA H 5 4.622 4.622 4.683 -0.061 19632 1968 1 7 . 1 1 5 5 ASP CA C 5 54.508 54.508 53.670 0.838 19632 1969 1 7 . 1 1 5 5 ASP CB C 5 41.375 41.375 41.720 -0.345 19632 1970 1 7 . 1 1 5 5 ASP H H 5 8.372 8.372 8.365 0.007 19632 1971 1 7 . 1 1 6 6 ALA N N 6 124.275 124.275 128.479 -4.204 19632 1972 1 7 . 1 1 6 6 ALA HA H 6 4.582 4.582 4.501 0.081 19632 1973 1 7 . 1 1 6 6 ALA CA C 6 48.068 48.068 50.440 -2.372 19632 1974 1 7 . 1 1 6 6 ALA CB C 6 18.765 18.765 18.471 0.294 19632 1975 1 7 . 1 1 6 6 ALA H H 6 7.984 7.984 8.287 -0.303 19632 1976 1 7 . 1 1 7 7 PRO HA H 7 4.486 4.486 4.482 0.004 19632 1977 1 7 . 1 1 7 7 PRO CA C 7 63.406 63.406 62.168 1.238 19632 1978 1 7 . 1 1 7 7 PRO CB C 7 32.491 32.491 32.405 0.086 19632 1979 1 7 . 1 1 8 8 SER N N 8 115.947 115.947 114.142 1.805 19632 1980 1 7 . 1 1 8 8 SER HA H 8 4.483 4.483 4.224 0.259 19632 1981 1 7 . 1 1 8 8 SER CA C 8 58.635 58.635 59.920 -1.285 19632 1982 1 7 . 1 1 8 8 SER CB C 8 64.447 64.447 63.308 1.139 19632 1983 1 7 . 1 1 8 8 SER H H 8 8.424 8.424 8.261 0.163 19632 1984 1 7 . 1 1 9 9 GLY N N 9 109.902 109.902 108.860 1.042 19632 1985 1 7 . 1 1 9 9 GLY CA C 9 45.804 45.804 45.471 0.333 19632 1986 1 7 . 1 1 9 9 GLY H H 9 8.352 8.352 8.634 -0.282 19632 1987 1 7 . 1 1 10 10 GLU N N 10 119.364 119.364 119.490 -0.126 19632 1988 1 7 . 1 1 10 10 GLU HA H 10 4.808 4.808 4.049 0.759 19632 1989 1 7 . 1 1 10 10 GLU CA C 10 53.481 53.481 56.070 -2.589 19632 1990 1 7 . 1 1 10 10 GLU CB C 10 30.956 30.956 28.585 2.371 19632 1991 1 7 . 1 1 10 10 GLU H H 10 8.071 8.071 7.946 0.125 19632 1992 1 7 . 1 1 11 11 PRO HA H 11 5.012 5.012 4.788 0.224 19632 1993 1 7 . 1 1 11 11 PRO CA C 11 63.350 63.350 62.695 0.655 19632 1994 1 7 . 1 1 11 11 PRO CB C 11 34.176 34.176 31.687 2.489 19632 1995 1 7 . 1 1 12 12 ASP N N 12 122.007 122.007 124.347 -2.340 19632 1996 1 7 . 1 1 12 12 ASP HA H 12 5.030 5.030 4.850 0.180 19632 1997 1 7 . 1 1 12 12 ASP CA C 12 53.249 53.249 52.666 0.583 19632 1998 1 7 . 1 1 12 12 ASP CB C 12 45.006 45.006 43.769 1.237 19632 1999 1 7 . 1 1 12 12 ASP H H 12 9.396 9.396 8.188 1.208 19632 2000 1 7 . 1 1 13 13 VAL N N 13 120.517 120.517 122.308 -1.791 19632 2001 1 7 . 1 1 13 13 VAL HA H 13 5.090 5.090 4.127 0.963 19632 2002 1 7 . 1 1 13 13 VAL CA C 13 59.653 59.653 60.861 -1.208 19632 2003 1 7 . 1 1 13 13 VAL CB C 13 35.347 35.347 32.365 2.982 19632 2004 1 7 . 1 1 13 13 VAL H H 13 8.402 8.402 8.450 -0.048 19632 2005 1 7 . 1 1 14 14 THR N N 14 122.388 122.388 126.075 -3.687 19632 2006 1 7 . 1 1 14 14 THR HA H 14 4.465 4.465 4.377 0.088 19632 2007 1 7 . 1 1 14 14 THR CA C 14 61.591 61.591 62.660 -1.069 19632 2008 1 7 . 1 1 14 14 THR CB C 14 71.537 71.537 68.718 2.819 19632 2009 1 7 . 1 1 14 14 THR H H 14 8.397 8.397 8.818 -0.421 19632 2010 1 7 . 1 1 15 15 ILE N N 15 125.929 125.929 129.041 -3.112 19632 2011 1 7 . 1 1 15 15 ILE HA H 15 4.882 4.882 4.021 0.861 19632 2012 1 7 . 1 1 15 15 ILE CA C 15 60.655 60.655 61.514 -0.859 19632 2013 1 7 . 1 1 15 15 ILE CB C 15 40.004 40.004 37.484 2.520 19632 2014 1 7 . 1 1 15 15 ILE H H 15 8.628 8.628 8.532 0.096 19632 2015 1 7 . 1 1 16 16 ARG N N 16 125.332 125.332 128.883 -3.551 19632 2016 1 7 . 1 1 16 16 ARG HA H 16 4.662 4.662 4.759 -0.097 19632 2017 1 7 . 1 1 16 16 ARG CA C 16 54.731 54.731 53.765 0.966 19632 2018 1 7 . 1 1 16 16 ARG CB C 16 33.731 33.731 32.984 0.746 19632 2019 1 7 . 1 1 16 16 ARG H H 16 9.057 9.057 8.494 0.563 19632 2020 1 7 . 1 1 17 17 GLN N N 17 121.044 121.044 118.378 2.666 19632 2021 1 7 . 1 1 17 17 GLN HA H 17 4.803 4.803 4.609 0.194 19632 2022 1 7 . 1 1 17 17 GLN CA C 17 55.241 55.241 55.310 -0.069 19632 2023 1 7 . 1 1 17 17 GLN CB C 17 30.461 30.461 31.196 -0.735 19632 2024 1 7 . 1 1 17 17 GLN H H 17 8.508 8.508 8.537 -0.029 19632 2025 1 7 . 1 1 18 18 GLU N N 18 125.409 125.409 125.329 0.080 19632 2026 1 7 . 1 1 18 18 GLU HA H 18 4.529 4.529 4.394 0.135 19632 2027 1 7 . 1 1 18 18 GLU CA C 18 55.018 55.018 54.783 0.235 19632 2028 1 7 . 1 1 18 18 GLU CB C 18 31.654 31.654 28.376 3.278 19632 2029 1 7 . 1 1 18 18 GLU H H 18 8.394 8.394 8.519 -0.125 19632 2030 1 7 . 1 1 19 19 GLY N N 19 114.286 114.286 116.441 -2.155 19632 2031 1 7 . 1 1 19 19 GLY CA C 19 47.887 47.887 46.775 1.112 19632 2032 1 7 . 1 1 19 19 GLY H H 19 8.804 8.804 8.327 0.477 19632 2033 1 7 . 1 1 20 20 ASP N N 20 124.137 124.137 125.395 -1.258 19632 2034 1 7 . 1 1 20 20 ASP HA H 20 4.536 4.536 4.548 -0.012 19632 2035 1 7 . 1 1 20 20 ASP CA C 20 54.019 54.019 54.852 -0.833 19632 2036 1 7 . 1 1 20 20 ASP CB C 20 41.053 41.053 41.921 -0.868 19632 2037 1 7 . 1 1 20 20 ASP H H 20 8.519 8.519 8.358 0.161 19632 2038 1 7 . 1 1 21 21 LYS N N 21 116.711 116.711 120.024 -3.313 19632 2039 1 7 . 1 1 21 21 LYS HA H 21 4.648 4.648 4.770 -0.122 19632 2040 1 7 . 1 1 21 21 LYS CA C 21 55.468 55.468 54.949 0.519 19632 2041 1 7 . 1 1 21 21 LYS CB C 21 34.941 34.941 32.869 2.072 19632 2042 1 7 . 1 1 21 21 LYS H H 21 7.696 7.696 7.375 0.321 19632 2043 1 7 . 1 1 22 22 THR N N 22 118.655 118.655 122.437 -3.782 19632 2044 1 7 . 1 1 22 22 THR HA H 22 4.541 4.541 4.518 0.023 19632 2045 1 7 . 1 1 22 22 THR CA C 22 62.936 62.936 62.761 0.175 19632 2046 1 7 . 1 1 22 22 THR CB C 22 70.275 70.275 68.149 2.126 19632 2047 1 7 . 1 1 22 22 THR H H 22 7.994 7.994 8.495 -0.501 19632 2048 1 7 . 1 1 23 23 ILE N N 23 126.114 126.114 128.881 -2.767 19632 2049 1 7 . 1 1 23 23 ILE HA H 23 4.699 4.699 3.853 0.846 19632 2050 1 7 . 1 1 23 23 ILE CA C 23 59.119 59.119 61.047 -1.928 19632 2051 1 7 . 1 1 23 23 ILE CB C 23 40.729 40.729 36.991 3.738 19632 2052 1 7 . 1 1 23 23 ILE H H 23 8.957 8.957 8.083 0.874 19632 2053 1 7 . 1 1 24 24 GLN N N 24 123.560 123.560 128.429 -4.869 19632 2054 1 7 . 1 1 24 24 GLN HA H 24 5.121 5.121 4.594 0.527 19632 2055 1 7 . 1 1 24 24 GLN CA C 24 53.653 53.653 54.623 -0.970 19632 2056 1 7 . 1 1 24 24 GLN CB C 24 30.573 30.573 28.863 1.710 19632 2057 1 7 . 1 1 24 24 GLN H H 24 8.932 8.932 8.697 0.235 19632 2058 1 7 . 1 1 25 25 GLU N N 25 122.651 122.651 125.010 -2.359 19632 2059 1 7 . 1 1 25 25 GLU HA H 25 4.462 4.462 4.469 -0.007 19632 2060 1 7 . 1 1 25 25 GLU CA C 25 55.548 55.548 55.473 0.075 19632 2061 1 7 . 1 1 25 25 GLU CB C 25 32.644 32.644 30.013 2.631 19632 2062 1 7 . 1 1 25 25 GLU H H 25 8.987 8.987 8.772 0.215 19632 2063 1 7 . 1 1 26 26 TYR N N 26 124.044 124.044 126.945 -2.901 19632 2064 1 7 . 1 1 26 26 TYR HA H 26 4.756 4.756 4.268 0.488 19632 2065 1 7 . 1 1 26 26 TYR CA C 26 58.317 58.317 58.533 -0.216 19632 2066 1 7 . 1 1 26 26 TYR CB C 26 38.543 38.543 37.074 1.469 19632 2067 1 7 . 1 1 26 26 TYR H H 26 8.930 8.930 9.150 -0.220 19632 2068 1 7 . 1 1 27 27 ARG N N 27 119.739 119.739 124.455 -4.716 19632 2069 1 7 . 1 1 27 27 ARG HA H 27 5.657 5.657 5.090 0.567 19632 2070 1 7 . 1 1 27 27 ARG CA C 27 53.860 53.860 54.617 -0.757 19632 2071 1 7 . 1 1 27 27 ARG CB C 27 36.310 36.310 32.940 3.370 19632 2072 1 7 . 1 1 27 27 ARG H H 27 8.496 8.496 8.160 0.336 19632 2073 1 7 . 1 1 28 28 VAL N N 28 115.698 115.698 123.967 -8.269 19632 2074 1 7 . 1 1 28 28 VAL HA H 28 4.526 4.526 4.139 0.387 19632 2075 1 7 . 1 1 28 28 VAL CA C 28 60.002 60.002 65.112 -5.110 19632 2076 1 7 . 1 1 28 28 VAL CB C 28 34.889 34.889 32.939 1.950 19632 2077 1 7 . 1 1 28 28 VAL H H 28 8.716 8.716 8.282 0.434 19632 2078 1 7 . 1 1 29 29 ASN N N 29 128.827 128.827 118.455 10.372 19632 2079 1 7 . 1 1 29 29 ASN HA H 29 4.309 4.309 4.812 -0.503 19632 2080 1 7 . 1 1 29 29 ASN CA C 29 54.385 54.385 53.398 0.987 19632 2081 1 7 . 1 1 29 29 ASN CB C 29 38.270 38.270 38.324 -0.054 19632 2082 1 7 . 1 1 29 29 ASN H H 29 9.605 9.605 8.443 1.162 19632 2083 1 7 . 1 1 30 30 GLY N N 30 103.111 103.111 108.619 -5.508 19632 2084 1 7 . 1 1 30 30 GLY CA C 30 45.901 45.901 45.284 0.617 19632 2085 1 7 . 1 1 30 30 GLY H H 30 8.784 8.784 8.643 0.141 19632 2086 1 7 . 1 1 31 31 PHE N N 31 123.693 123.693 121.117 2.576 19632 2087 1 7 . 1 1 31 31 PHE HA H 31 4.529 4.529 4.842 -0.313 19632 2088 1 7 . 1 1 31 31 PHE CA C 31 57.924 57.924 56.488 1.436 19632 2089 1 7 . 1 1 31 31 PHE CB C 31 40.207 40.207 41.363 -1.156 19632 2090 1 7 . 1 1 31 31 PHE H H 31 8.191 8.191 7.676 0.515 19632 2091 1 7 . 1 1 32 32 LEU N N 32 130.348 130.348 130.107 0.241 19632 2092 1 7 . 1 1 32 32 LEU HA H 32 4.427 4.427 4.247 0.180 19632 2093 1 7 . 1 1 32 32 LEU CA C 32 55.517 55.517 54.765 0.752 19632 2094 1 7 . 1 1 32 32 LEU CB C 32 42.468 42.468 41.479 0.989 19632 2095 1 7 . 1 1 32 32 LEU H H 32 8.171 8.171 8.453 -0.282 19632 2096 1 7 . 1 1 33 33 TYR N N 33 124.923 124.923 120.423 4.500 19632 2097 1 7 . 1 1 33 33 TYR HA H 33 4.557 4.557 4.642 -0.085 19632 2098 1 7 . 1 1 33 33 TYR CA C 33 56.404 56.404 56.179 0.224 19632 2099 1 7 . 1 1 33 33 TYR CB C 33 39.131 39.131 40.127 -0.996 19632 2100 1 7 . 1 1 33 33 TYR H H 33 8.415 8.415 8.499 -0.084 19632 2101 1 7 . 1 1 34 34 ALA N N 34 120.211 120.211 121.010 -0.799 19632 2102 1 7 . 1 1 34 34 ALA HA H 34 5.528 5.528 5.347 0.181 19632 2103 1 7 . 1 1 34 34 ALA CA C 34 52.196 52.196 51.320 0.876 19632 2104 1 7 . 1 1 34 34 ALA CB C 34 22.633 22.633 22.247 0.386 19632 2105 1 7 . 1 1 34 34 ALA H H 34 7.399 7.399 7.232 0.167 19632 2106 1 7 . 1 1 35 35 ILE N N 35 118.197 118.197 122.644 -4.447 19632 2107 1 7 . 1 1 35 35 ILE HA H 35 5.157 5.157 5.011 0.146 19632 2108 1 7 . 1 1 35 35 ILE CA C 35 60.000 60.000 60.354 -0.354 19632 2109 1 7 . 1 1 35 35 ILE CB C 35 43.639 43.639 41.408 2.231 19632 2110 1 7 . 1 1 35 35 ILE H H 35 9.224 9.224 8.950 0.274 19632 2111 1 7 . 1 1 36 36 LYS N N 36 127.872 127.872 129.735 -1.863 19632 2112 1 7 . 1 1 36 36 LYS HA H 36 4.204 4.204 5.152 -0.948 19632 2113 1 7 . 1 1 36 36 LYS CA C 36 55.245 55.245 54.671 0.574 19632 2114 1 7 . 1 1 36 36 LYS CB C 36 36.092 36.092 33.875 2.217 19632 2115 1 7 . 1 1 36 36 LYS H H 36 9.708 9.708 8.986 0.722 19632 2116 1 7 . 1 1 37 37 VAL N N 37 128.005 128.005 127.959 0.046 19632 2117 1 7 . 1 1 37 37 VAL HA H 37 4.043 4.043 4.156 -0.113 19632 2118 1 7 . 1 1 37 37 VAL CA C 37 61.840 61.840 60.282 1.558 19632 2119 1 7 . 1 1 37 37 VAL CB C 37 32.523 32.523 34.472 -1.949 19632 2120 1 7 . 1 1 37 37 VAL H H 37 8.551 8.551 7.976 0.575 19632 2121 1 7 . 1 1 38 38 VAL N N 38 125.034 125.034 129.239 -4.205 19632 2122 1 7 . 1 1 38 38 VAL HA H 38 4.277 4.277 4.334 -0.057 19632 2123 1 7 . 1 1 38 38 VAL CA C 38 59.287 59.287 57.817 1.470 19632 2124 1 7 . 1 1 38 38 VAL CB C 38 32.568 32.568 31.138 1.430 19632 2125 1 7 . 1 1 38 38 VAL H H 38 8.668 8.668 8.493 0.175 19632 2126 1 7 . 1 1 39 39 PRO HA H 39 4.565 4.565 4.778 -0.213 19632 2127 1 7 . 1 1 39 39 PRO CA C 39 62.202 62.202 61.898 0.304 19632 2128 1 7 . 1 1 39 39 PRO CB C 39 32.887 32.887 32.534 0.353 19632 2129 1 7 . 1 1 40 40 LYS N N 40 121.622 121.622 121.486 0.136 19632 2130 1 7 . 1 1 40 40 LYS HA H 40 3.877 3.877 4.063 -0.186 19632 2131 1 7 . 1 1 40 40 LYS CA C 40 58.950 58.950 57.440 1.510 19632 2132 1 7 . 1 1 40 40 LYS CB C 40 32.988 32.988 32.409 0.579 19632 2133 1 7 . 1 1 40 40 LYS H H 40 8.275 8.275 8.941 -0.666 19632 2134 1 7 . 1 1 41 41 HIS N N 41 114.012 114.012 114.984 -0.972 19632 2135 1 7 . 1 1 41 41 HIS HA H 41 4.795 4.795 4.798 -0.003 19632 2136 1 7 . 1 1 41 41 HIS CA C 41 54.904 54.904 55.800 -0.896 19632 2137 1 7 . 1 1 41 41 HIS CB C 41 30.835 30.835 29.675 1.160 19632 2138 1 7 . 1 1 41 41 HIS H H 41 8.040 8.040 7.873 0.167 19632 2139 1 7 . 1 1 42 42 GLY N N 42 109.068 109.068 108.789 0.279 19632 2140 1 7 . 1 1 42 42 GLY CA C 42 44.482 44.482 45.460 -0.978 19632 2141 1 7 . 1 1 42 42 GLY H H 42 7.966 7.966 7.520 0.446 19632 2142 1 7 . 1 1 43 43 LYS N N 43 120.287 120.287 120.635 -0.348 19632 2143 1 7 . 1 1 43 43 LYS HA H 43 4.680 4.680 4.760 -0.080 19632 2144 1 7 . 1 1 43 43 LYS CA C 43 54.392 54.392 53.682 0.710 19632 2145 1 7 . 1 1 43 43 LYS CB C 43 33.511 33.511 33.912 -0.401 19632 2146 1 7 . 1 1 43 43 LYS H H 43 8.209 8.209 8.272 -0.063 19632 2147 1 7 . 1 1 44 44 PRO HA H 44 5.013 5.013 4.859 0.154 19632 2148 1 7 . 1 1 44 44 PRO CA C 44 62.744 62.744 62.837 -0.093 19632 2149 1 7 . 1 1 44 44 PRO CB C 44 33.747 33.747 31.761 1.986 19632 2150 1 7 . 1 1 45 45 TYR N N 45 115.140 115.140 118.933 -3.793 19632 2151 1 7 . 1 1 45 45 TYR HA H 45 4.897 4.897 4.866 0.031 19632 2152 1 7 . 1 1 45 45 TYR CA C 45 56.387 56.387 54.858 1.529 19632 2153 1 7 . 1 1 45 45 TYR CB C 45 40.574 40.574 40.480 0.094 19632 2154 1 7 . 1 1 45 45 TYR H H 45 8.176 8.176 7.745 0.431 19632 2155 1 7 . 1 1 46 46 PHE N N 46 115.001 115.001 119.469 -4.468 19632 2156 1 7 . 1 1 46 46 PHE HA H 46 5.662 5.662 5.051 0.611 19632 2157 1 7 . 1 1 46 46 PHE CA C 46 56.395 56.395 57.323 -0.928 19632 2158 1 7 . 1 1 46 46 PHE CB C 46 43.736 43.736 40.552 3.184 19632 2159 1 7 . 1 1 46 46 PHE H H 46 8.607 8.607 9.580 -0.973 19632 2160 1 7 . 1 1 47 47 LEU N N 47 121.747 121.747 127.602 -5.855 19632 2161 1 7 . 1 1 47 47 LEU HA H 47 5.339 5.339 4.965 0.374 19632 2162 1 7 . 1 1 47 47 LEU CA C 47 54.116 54.116 53.941 0.175 19632 2163 1 7 . 1 1 47 47 LEU CB C 47 44.357 44.357 43.369 0.988 19632 2164 1 7 . 1 1 47 47 LEU H H 47 9.631 9.631 9.506 0.125 19632 2165 1 7 . 1 1 48 48 VAL N N 48 122.850 122.850 128.429 -5.579 19632 2166 1 7 . 1 1 48 48 VAL HA H 48 4.476 4.476 4.572 -0.096 19632 2167 1 7 . 1 1 48 48 VAL CA C 48 61.559 61.559 61.721 -0.162 19632 2168 1 7 . 1 1 48 48 VAL CB C 48 35.232 35.232 33.245 1.987 19632 2169 1 7 . 1 1 48 48 VAL H H 48 9.334 9.334 9.469 -0.135 19632 2170 1 7 . 1 1 49 49 ARG N N 49 129.488 129.488 128.562 0.926 19632 2171 1 7 . 1 1 49 49 ARG HA H 49 3.045 3.045 3.540 -0.495 19632 2172 1 7 . 1 1 49 49 ARG CA C 49 56.623 56.623 54.974 1.649 19632 2173 1 7 . 1 1 49 49 ARG CB C 49 31.326 31.326 30.135 1.191 19632 2174 1 7 . 1 1 49 49 ARG H H 49 8.451 8.451 8.635 -0.184 19632 2175 1 7 . 1 1 50 50 ALA N N 50 131.016 131.016 130.393 0.623 19632 2176 1 7 . 1 1 50 50 ALA HA H 50 4.418 4.418 4.384 0.034 19632 2177 1 7 . 1 1 50 50 ALA CA C 50 51.502 51.502 51.282 0.220 19632 2178 1 7 . 1 1 50 50 ALA CB C 50 20.364 20.364 20.104 0.261 19632 2179 1 7 . 1 1 50 50 ALA H H 50 8.524 8.524 7.595 0.929 19632 2180 1 7 . 1 1 51 51 ASP N N 51 112.516 112.516 119.703 -7.187 19632 2181 1 7 . 1 1 51 51 ASP HA H 51 4.413 4.413 4.431 -0.018 19632 2182 1 7 . 1 1 51 51 ASP CA C 51 54.301 54.301 54.642 -0.342 19632 2183 1 7 . 1 1 51 51 ASP CB C 51 41.710 41.710 40.695 1.015 19632 2184 1 7 . 1 1 51 51 ASP H H 51 8.597 8.597 8.346 0.251 19632 2185 1 7 . 1 1 52 52 GLY N N 52 106.147 106.147 109.216 -3.069 19632 2186 1 7 . 1 1 52 52 GLY CA C 52 45.499 45.499 44.418 1.081 19632 2187 1 7 . 1 1 52 52 GLY H H 52 8.378 8.378 8.091 0.287 19632 2188 1 7 . 1 1 53 53 SER N N 53 115.000 115.000 115.765 -0.765 19632 2189 1 7 . 1 1 53 53 SER HA H 53 4.439 4.439 4.416 0.023 19632 2190 1 7 . 1 1 53 53 SER CA C 53 60.282 60.282 58.510 1.772 19632 2191 1 7 . 1 1 53 53 SER CB C 53 64.175 64.175 62.983 1.192 19632 2192 1 7 . 1 1 53 53 SER H H 53 8.677 8.677 8.650 0.027 19632 2193 1 7 . 1 1 54 54 ASP N N 54 119.220 119.220 121.155 -1.935 19632 2194 1 7 . 1 1 54 54 ASP HA H 54 4.595 4.595 4.419 0.176 19632 2195 1 7 . 1 1 54 54 ASP CA C 54 55.689 55.689 55.391 0.298 19632 2196 1 7 . 1 1 54 54 ASP CB C 54 41.326 41.326 41.266 0.060 19632 2197 1 7 . 1 1 54 54 ASP H H 54 8.364 8.364 8.029 0.335 19632 2198 1 7 . 1 1 55 55 GLY N N 55 107.460 107.460 106.400 1.060 19632 2199 1 7 . 1 1 55 55 GLY CA C 55 47.210 47.210 44.947 2.263 19632 2200 1 7 . 1 1 55 55 GLY H H 55 7.801 7.801 8.660 -0.859 19632 2201 1 7 . 1 1 56 56 ASN N N 56 116.076 116.076 116.626 -0.550 19632 2202 1 7 . 1 1 56 56 ASN HA H 56 4.997 4.997 5.155 -0.158 19632 2203 1 7 . 1 1 56 56 ASN CA C 56 53.235 53.235 51.738 1.497 19632 2204 1 7 . 1 1 56 56 ASN CB C 56 41.540 41.540 40.929 0.611 19632 2205 1 7 . 1 1 56 56 ASN H H 56 7.919 7.919 7.582 0.337 19632 2206 1 7 . 1 1 57 57 PHE N N 57 118.405 118.405 117.582 0.823 19632 2207 1 7 . 1 1 57 57 PHE HA H 57 5.043 5.043 5.114 -0.071 19632 2208 1 7 . 1 1 57 57 PHE CA C 57 56.786 56.786 56.487 0.299 19632 2209 1 7 . 1 1 57 57 PHE CB C 57 44.374 44.374 43.873 0.501 19632 2210 1 7 . 1 1 57 57 PHE H H 57 9.203 9.203 8.326 0.877 19632 2211 1 7 . 1 1 58 58 ILE N N 58 118.503 118.503 119.957 -1.454 19632 2212 1 7 . 1 1 58 58 ILE HA H 58 4.507 4.507 4.641 -0.134 19632 2213 1 7 . 1 1 58 58 ILE CA C 58 60.493 60.493 58.815 1.679 19632 2214 1 7 . 1 1 58 58 ILE CB C 58 42.447 42.447 40.060 2.387 19632 2215 1 7 . 1 1 58 58 ILE H H 58 9.222 9.222 9.290 -0.068 19632 2216 1 7 . 1 1 59 59 ARG N N 59 126.283 126.283 127.627 -1.344 19632 2217 1 7 . 1 1 59 59 ARG HA H 59 5.111 5.111 5.219 -0.108 19632 2218 1 7 . 1 1 59 59 ARG CA C 59 55.839 55.839 54.812 1.027 19632 2219 1 7 . 1 1 59 59 ARG CB C 59 32.157 32.157 32.588 -0.431 19632 2220 1 7 . 1 1 59 59 ARG H H 59 9.298 9.298 8.048 1.250 19632 2221 1 7 . 1 1 60 60 SER N N 60 119.913 119.913 122.306 -2.393 19632 2222 1 7 . 1 1 60 60 SER HA H 60 3.887 3.887 4.210 -0.323 19632 2223 1 7 . 1 1 60 60 SER CA C 60 62.373 62.373 61.410 0.963 19632 2224 1 7 . 1 1 60 60 SER CB C 60 62.777 62.777 63.371 -0.594 19632 2225 1 7 . 1 1 60 60 SER H H 60 9.698 9.698 9.201 0.497 19632 2226 1 7 . 1 1 61 61 ASP N N 61 117.504 117.504 120.387 -2.883 19632 2227 1 7 . 1 1 61 61 ASP HA H 61 4.764 4.764 4.535 0.229 19632 2228 1 7 . 1 1 61 61 ASP CA C 61 53.789 53.789 56.221 -2.432 19632 2229 1 7 . 1 1 61 61 ASP CB C 61 40.082 40.082 41.169 -1.087 19632 2230 1 7 . 1 1 61 61 ASP H H 61 8.769 8.769 8.647 0.122 19632 2231 1 7 . 1 1 62 62 GLN N N 62 118.595 118.595 115.741 2.854 19632 2232 1 7 . 1 1 62 62 GLN HA H 62 4.779 4.779 4.792 -0.013 19632 2233 1 7 . 1 1 62 62 GLN CA C 62 54.066 54.066 52.929 1.137 19632 2234 1 7 . 1 1 62 62 GLN CB C 62 30.309 30.309 28.401 1.908 19632 2235 1 7 . 1 1 62 62 GLN H H 62 7.467 7.467 7.984 -0.517 19632 2236 1 7 . 1 1 63 63 PRO HA H 63 4.662 4.662 4.618 0.044 19632 2237 1 7 . 1 1 63 63 PRO CB C 63 32.293 32.293 32.013 0.280 19632 2238 1 7 . 1 1 64 64 ASP N N 64 116.697 116.697 117.610 -0.913 19632 2239 1 7 . 1 1 64 64 ASP HA H 64 4.662 4.662 4.750 -0.088 19632 2240 1 7 . 1 1 64 64 ASP CA C 64 54.449 54.449 54.299 0.150 19632 2241 1 7 . 1 1 64 64 ASP CB C 64 41.201 41.201 41.109 0.092 19632 2242 1 7 . 1 1 64 64 ASP H H 64 8.389 8.389 8.570 -0.181 19632 2243 1 7 . 1 1 65 65 LYS N N 65 119.781 119.781 120.808 -1.027 19632 2244 1 7 . 1 1 65 65 LYS HA H 65 4.547 4.547 4.488 0.059 19632 2245 1 7 . 1 1 65 65 LYS CA C 65 55.469 55.469 55.330 0.139 19632 2246 1 7 . 1 1 65 65 LYS CB C 65 34.796 34.796 34.457 0.339 19632 2247 1 7 . 1 1 65 65 LYS H H 65 7.592 7.592 7.325 0.267 19632 2248 1 7 . 1 1 66 66 LEU N N 66 125.131 125.131 125.619 -0.488 19632 2249 1 7 . 1 1 66 66 LEU HA H 66 4.708 4.708 4.472 0.236 19632 2250 1 7 . 1 1 66 66 LEU CA C 66 54.496 54.496 54.316 0.180 19632 2251 1 7 . 1 1 66 66 LEU CB C 66 44.010 44.010 42.326 1.684 19632 2252 1 7 . 1 1 66 66 LEU H H 66 8.300 8.300 8.442 -0.142 19632 2253 1 7 . 1 1 67 67 ILE N N 67 124.524 124.524 125.579 -1.055 19632 2254 1 7 . 1 1 67 67 ILE HA H 67 4.447 4.447 4.244 0.203 19632 2255 1 7 . 1 1 67 67 ILE CA C 67 57.824 57.824 57.880 -0.056 19632 2256 1 7 . 1 1 67 67 ILE CB C 67 40.744 40.744 37.076 3.668 19632 2257 1 7 . 1 1 67 67 ILE H H 67 9.427 9.427 8.966 0.461 19632 2258 1 7 . 1 1 68 68 PRO HA H 68 4.649 4.649 4.401 0.248 19632 2259 1 7 . 1 1 68 68 PRO CB C 68 32.644 32.644 32.262 0.382 19632 2260 1 7 . 1 1 69 69 GLN N N 69 119.126 119.126 118.758 0.368 19632 2261 1 7 . 1 1 69 69 GLN HA H 69 3.730 3.730 3.955 -0.225 19632 2262 1 7 . 1 1 69 69 GLN CA C 69 59.447 59.447 59.506 -0.059 19632 2263 1 7 . 1 1 69 69 GLN CB C 69 28.819 28.819 28.712 0.107 19632 2264 1 7 . 1 1 69 69 GLN H H 69 8.386 8.386 8.458 -0.072 19632 2265 1 7 . 1 1 70 70 TRP N N 70 112.076 112.076 115.564 -3.488 19632 2266 1 7 . 1 1 70 70 TRP HA H 70 4.525 4.525 4.553 -0.028 19632 2267 1 7 . 1 1 70 70 TRP CA C 70 58.197 58.197 58.438 -0.241 19632 2268 1 7 . 1 1 70 70 TRP CB C 70 28.016 28.016 28.386 -0.370 19632 2269 1 7 . 1 1 70 70 TRP H H 70 6.972 6.972 7.972 -1.000 19632 2270 1 7 . 1 1 71 71 GLU N N 71 119.388 119.388 118.952 0.436 19632 2271 1 7 . 1 1 71 71 GLU HA H 71 4.249 4.249 4.187 0.062 19632 2272 1 7 . 1 1 71 71 GLU CA C 71 56.654 56.654 57.627 -0.973 19632 2273 1 7 . 1 1 71 71 GLU CB C 71 30.938 30.938 30.258 0.680 19632 2274 1 7 . 1 1 71 71 GLU H H 71 7.386 7.386 6.939 0.447 19632 2275 1 7 . 1 1 72 72 ILE N N 72 115.759 115.759 116.201 -0.442 19632 2276 1 7 . 1 1 72 72 ILE HA H 72 3.324 3.324 3.559 -0.235 19632 2277 1 7 . 1 1 72 72 ILE CA C 72 64.205 64.205 63.758 0.447 19632 2278 1 7 . 1 1 72 72 ILE CB C 72 38.012 38.012 37.528 0.484 19632 2279 1 7 . 1 1 72 72 ILE H H 72 6.754 6.754 7.393 -0.639 19632 2280 1 7 . 1 1 73 73 PHE N N 73 115.942 115.942 117.561 -1.619 19632 2281 1 7 . 1 1 73 73 PHE HA H 73 4.248 4.248 4.378 -0.130 19632 2282 1 7 . 1 1 73 73 PHE CA C 73 56.514 56.514 55.938 0.576 19632 2283 1 7 . 1 1 73 73 PHE CB C 73 38.479 38.479 37.829 0.650 19632 2284 1 7 . 1 1 73 73 PHE H H 73 7.388 7.388 7.539 -0.151 19632 2285 1 7 . 1 1 74 74 SER N N 74 114.787 114.787 117.590 -2.803 19632 2286 1 7 . 1 1 74 74 SER HA H 74 4.358 4.358 4.563 -0.205 19632 2287 1 7 . 1 1 74 74 SER CA C 74 58.265 58.265 57.911 0.354 19632 2288 1 7 . 1 1 74 74 SER CB C 74 63.783 63.783 62.492 1.291 19632 2289 1 7 . 1 1 74 74 SER H H 74 7.203 7.203 7.400 -0.197 19632 2290 1 8 . 1 1 2 2 ALA HA H 2 4.290 4.290 4.649 -0.359 19632 2291 1 8 . 1 1 2 2 ALA CA C 2 53.589 53.589 51.711 1.878 19632 2292 1 8 . 1 1 2 2 ALA CB C 2 19.556 19.556 20.718 -1.162 19632 2293 1 8 . 1 1 5 5 ASP N N 5 116.992 116.992 120.576 -3.584 19632 2294 1 8 . 1 1 5 5 ASP HA H 5 4.622 4.622 4.903 -0.281 19632 2295 1 8 . 1 1 5 5 ASP CA C 5 54.508 54.508 53.509 0.999 19632 2296 1 8 . 1 1 5 5 ASP CB C 5 41.375 41.375 42.523 -1.148 19632 2297 1 8 . 1 1 5 5 ASP H H 5 8.372 8.372 8.459 -0.087 19632 2298 1 8 . 1 1 6 6 ALA N N 6 124.275 124.275 125.158 -0.883 19632 2299 1 8 . 1 1 6 6 ALA HA H 6 4.582 4.582 4.739 -0.157 19632 2300 1 8 . 1 1 6 6 ALA CA C 6 48.068 48.068 50.600 -2.532 19632 2301 1 8 . 1 1 6 6 ALA CB C 6 18.765 18.765 19.072 -0.307 19632 2302 1 8 . 1 1 6 6 ALA H H 6 7.984 7.984 8.163 -0.179 19632 2303 1 8 . 1 1 7 7 PRO HA H 7 4.486 4.486 4.436 0.050 19632 2304 1 8 . 1 1 7 7 PRO CA C 7 63.406 63.406 62.282 1.124 19632 2305 1 8 . 1 1 7 7 PRO CB C 7 32.491 32.491 32.059 0.432 19632 2306 1 8 . 1 1 8 8 SER N N 8 115.947 115.947 115.450 0.497 19632 2307 1 8 . 1 1 8 8 SER HA H 8 4.483 4.483 4.270 0.213 19632 2308 1 8 . 1 1 8 8 SER CA C 8 58.635 58.635 59.792 -1.157 19632 2309 1 8 . 1 1 8 8 SER CB C 8 64.447 64.447 63.552 0.895 19632 2310 1 8 . 1 1 8 8 SER H H 8 8.424 8.424 8.346 0.078 19632 2311 1 8 . 1 1 9 9 GLY N N 9 109.902 109.902 111.635 -1.733 19632 2312 1 8 . 1 1 9 9 GLY CA C 9 45.804 45.804 44.767 1.037 19632 2313 1 8 . 1 1 9 9 GLY H H 9 8.352 8.352 8.372 -0.020 19632 2314 1 8 . 1 1 10 10 GLU N N 10 119.364 119.364 120.494 -1.130 19632 2315 1 8 . 1 1 10 10 GLU HA H 10 4.808 4.808 4.108 0.700 19632 2316 1 8 . 1 1 10 10 GLU CA C 10 53.481 53.481 55.894 -2.413 19632 2317 1 8 . 1 1 10 10 GLU CB C 10 30.956 30.956 28.988 1.968 19632 2318 1 8 . 1 1 10 10 GLU H H 10 8.071 8.071 8.371 -0.300 19632 2319 1 8 . 1 1 11 11 PRO HA H 11 5.012 5.012 4.945 0.067 19632 2320 1 8 . 1 1 11 11 PRO CA C 11 63.350 63.350 62.793 0.557 19632 2321 1 8 . 1 1 11 11 PRO CB C 11 34.176 34.176 32.721 1.455 19632 2322 1 8 . 1 1 12 12 ASP N N 12 122.007 122.007 123.035 -1.028 19632 2323 1 8 . 1 1 12 12 ASP HA H 12 5.030 5.030 4.845 0.185 19632 2324 1 8 . 1 1 12 12 ASP CA C 12 53.249 53.249 53.059 0.190 19632 2325 1 8 . 1 1 12 12 ASP CB C 12 45.006 45.006 44.207 0.799 19632 2326 1 8 . 1 1 12 12 ASP H H 12 9.396 9.396 9.336 0.060 19632 2327 1 8 . 1 1 13 13 VAL N N 13 120.517 120.517 119.782 0.735 19632 2328 1 8 . 1 1 13 13 VAL HA H 13 5.090 5.090 4.606 0.484 19632 2329 1 8 . 1 1 13 13 VAL CA C 13 59.653 59.653 59.974 -0.321 19632 2330 1 8 . 1 1 13 13 VAL CB C 13 35.347 35.347 34.517 0.830 19632 2331 1 8 . 1 1 13 13 VAL H H 13 8.402 8.402 8.371 0.031 19632 2332 1 8 . 1 1 14 14 THR N N 14 122.388 122.388 126.227 -3.839 19632 2333 1 8 . 1 1 14 14 THR HA H 14 4.465 4.465 4.405 0.060 19632 2334 1 8 . 1 1 14 14 THR CA C 14 61.591 61.591 62.084 -0.493 19632 2335 1 8 . 1 1 14 14 THR CB C 14 71.537 71.537 68.291 3.246 19632 2336 1 8 . 1 1 14 14 THR H H 14 8.397 8.397 8.852 -0.455 19632 2337 1 8 . 1 1 15 15 ILE N N 15 125.929 125.929 129.002 -3.073 19632 2338 1 8 . 1 1 15 15 ILE HA H 15 4.882 4.882 4.404 0.478 19632 2339 1 8 . 1 1 15 15 ILE CA C 15 60.655 60.655 60.971 -0.316 19632 2340 1 8 . 1 1 15 15 ILE CB C 15 40.004 40.004 38.140 1.864 19632 2341 1 8 . 1 1 15 15 ILE H H 15 8.628 8.628 8.504 0.124 19632 2342 1 8 . 1 1 16 16 ARG N N 16 125.332 125.332 127.564 -2.232 19632 2343 1 8 . 1 1 16 16 ARG HA H 16 4.662 4.662 4.766 -0.104 19632 2344 1 8 . 1 1 16 16 ARG CA C 16 54.731 54.731 53.914 0.817 19632 2345 1 8 . 1 1 16 16 ARG CB C 16 33.731 33.731 32.687 1.044 19632 2346 1 8 . 1 1 16 16 ARG H H 16 9.057 9.057 8.840 0.217 19632 2347 1 8 . 1 1 17 17 GLN N N 17 121.044 121.044 118.552 2.492 19632 2348 1 8 . 1 1 17 17 GLN HA H 17 4.803 4.803 4.784 0.019 19632 2349 1 8 . 1 1 17 17 GLN CA C 17 55.241 55.241 55.607 -0.366 19632 2350 1 8 . 1 1 17 17 GLN CB C 17 30.461 30.461 31.961 -1.500 19632 2351 1 8 . 1 1 17 17 GLN H H 17 8.508 8.508 8.480 0.028 19632 2352 1 8 . 1 1 18 18 GLU N N 18 125.409 125.409 122.544 2.865 19632 2353 1 8 . 1 1 18 18 GLU HA H 18 4.529 4.529 4.571 -0.042 19632 2354 1 8 . 1 1 18 18 GLU CA C 18 55.018 55.018 55.756 -0.738 19632 2355 1 8 . 1 1 18 18 GLU CB C 18 31.654 31.654 30.637 1.017 19632 2356 1 8 . 1 1 18 18 GLU H H 18 8.394 8.394 8.567 -0.173 19632 2357 1 8 . 1 1 19 19 GLY N N 19 114.286 114.286 108.692 5.594 19632 2358 1 8 . 1 1 19 19 GLY CA C 19 47.887 47.887 44.623 3.264 19632 2359 1 8 . 1 1 19 19 GLY H H 19 8.804 8.804 7.457 1.347 19632 2360 1 8 . 1 1 20 20 ASP N N 20 124.137 124.137 117.784 6.353 19632 2361 1 8 . 1 1 20 20 ASP HA H 20 4.536 4.536 4.282 0.254 19632 2362 1 8 . 1 1 20 20 ASP CA C 20 54.019 54.019 55.492 -1.472 19632 2363 1 8 . 1 1 20 20 ASP CB C 20 41.053 41.053 40.926 0.127 19632 2364 1 8 . 1 1 20 20 ASP H H 20 8.519 8.519 8.502 0.017 19632 2365 1 8 . 1 1 21 21 LYS N N 21 116.711 116.711 114.168 2.543 19632 2366 1 8 . 1 1 21 21 LYS HA H 21 4.648 4.648 5.040 -0.392 19632 2367 1 8 . 1 1 21 21 LYS CA C 21 55.468 55.468 55.174 0.294 19632 2368 1 8 . 1 1 21 21 LYS CB C 21 34.941 34.941 35.639 -0.697 19632 2369 1 8 . 1 1 21 21 LYS H H 21 7.696 7.696 7.536 0.160 19632 2370 1 8 . 1 1 22 22 THR N N 22 118.655 118.655 122.554 -3.899 19632 2371 1 8 . 1 1 22 22 THR HA H 22 4.541 4.541 4.624 -0.083 19632 2372 1 8 . 1 1 22 22 THR CA C 22 62.936 62.936 63.360 -0.424 19632 2373 1 8 . 1 1 22 22 THR CB C 22 70.275 70.275 68.938 1.337 19632 2374 1 8 . 1 1 22 22 THR H H 22 7.994 7.994 8.273 -0.279 19632 2375 1 8 . 1 1 23 23 ILE N N 23 126.114 126.114 128.834 -2.720 19632 2376 1 8 . 1 1 23 23 ILE HA H 23 4.699 4.699 4.154 0.545 19632 2377 1 8 . 1 1 23 23 ILE CA C 23 59.119 59.119 60.237 -1.118 19632 2378 1 8 . 1 1 23 23 ILE CB C 23 40.729 40.729 38.476 2.253 19632 2379 1 8 . 1 1 23 23 ILE H H 23 8.957 8.957 9.074 -0.117 19632 2380 1 8 . 1 1 24 24 GLN N N 24 123.560 123.560 127.423 -3.863 19632 2381 1 8 . 1 1 24 24 GLN HA H 24 5.121 5.121 4.724 0.397 19632 2382 1 8 . 1 1 24 24 GLN CA C 24 53.653 53.653 54.093 -0.440 19632 2383 1 8 . 1 1 24 24 GLN CB C 24 30.573 30.573 29.712 0.862 19632 2384 1 8 . 1 1 24 24 GLN H H 24 8.932 8.932 8.787 0.145 19632 2385 1 8 . 1 1 25 25 GLU N N 25 122.651 122.651 125.018 -2.367 19632 2386 1 8 . 1 1 25 25 GLU HA H 25 4.462 4.462 4.411 0.051 19632 2387 1 8 . 1 1 25 25 GLU CA C 25 55.548 55.548 55.425 0.123 19632 2388 1 8 . 1 1 25 25 GLU CB C 25 32.644 32.644 30.134 2.510 19632 2389 1 8 . 1 1 25 25 GLU H H 25 8.987 8.987 8.902 0.085 19632 2390 1 8 . 1 1 26 26 TYR N N 26 124.044 124.044 126.512 -2.468 19632 2391 1 8 . 1 1 26 26 TYR HA H 26 4.756 4.756 4.625 0.131 19632 2392 1 8 . 1 1 26 26 TYR CA C 26 58.317 58.317 58.719 -0.402 19632 2393 1 8 . 1 1 26 26 TYR CB C 26 38.543 38.543 37.516 1.027 19632 2394 1 8 . 1 1 26 26 TYR H H 26 8.930 8.930 9.105 -0.175 19632 2395 1 8 . 1 1 27 27 ARG N N 27 119.739 119.739 124.269 -4.530 19632 2396 1 8 . 1 1 27 27 ARG HA H 27 5.657 5.657 5.355 0.302 19632 2397 1 8 . 1 1 27 27 ARG CA C 27 53.860 53.860 54.461 -0.601 19632 2398 1 8 . 1 1 27 27 ARG CB C 27 36.310 36.310 32.738 3.572 19632 2399 1 8 . 1 1 27 27 ARG H H 27 8.496 8.496 9.243 -0.747 19632 2400 1 8 . 1 1 28 28 VAL N N 28 115.698 115.698 124.558 -8.860 19632 2401 1 8 . 1 1 28 28 VAL HA H 28 4.526 4.526 4.194 0.332 19632 2402 1 8 . 1 1 28 28 VAL CA C 28 60.002 60.002 64.572 -4.570 19632 2403 1 8 . 1 1 28 28 VAL CB C 28 34.889 34.889 32.868 2.021 19632 2404 1 8 . 1 1 28 28 VAL H H 28 8.716 8.716 8.750 -0.034 19632 2405 1 8 . 1 1 29 29 ASN N N 29 128.827 128.827 117.508 11.319 19632 2406 1 8 . 1 1 29 29 ASN HA H 29 4.309 4.309 4.787 -0.477 19632 2407 1 8 . 1 1 29 29 ASN CA C 29 54.385 54.385 53.727 0.658 19632 2408 1 8 . 1 1 29 29 ASN CB C 29 38.270 38.270 38.413 -0.143 19632 2409 1 8 . 1 1 29 29 ASN H H 29 9.605 9.605 7.843 1.762 19632 2410 1 8 . 1 1 30 30 GLY N N 30 103.111 103.111 108.872 -5.761 19632 2411 1 8 . 1 1 30 30 GLY CA C 30 45.901 45.901 45.558 0.343 19632 2412 1 8 . 1 1 30 30 GLY H H 30 8.784 8.784 8.775 0.009 19632 2413 1 8 . 1 1 31 31 PHE N N 31 123.693 123.693 122.306 1.387 19632 2414 1 8 . 1 1 31 31 PHE HA H 31 4.529 4.529 4.672 -0.143 19632 2415 1 8 . 1 1 31 31 PHE CA C 31 57.924 57.924 57.251 0.673 19632 2416 1 8 . 1 1 31 31 PHE CB C 31 40.207 40.207 40.246 -0.039 19632 2417 1 8 . 1 1 31 31 PHE H H 31 8.191 8.191 7.726 0.465 19632 2418 1 8 . 1 1 32 32 LEU N N 32 130.348 130.348 129.396 0.952 19632 2419 1 8 . 1 1 32 32 LEU HA H 32 4.427 4.427 4.499 -0.072 19632 2420 1 8 . 1 1 32 32 LEU CA C 32 55.517 55.517 54.420 1.097 19632 2421 1 8 . 1 1 32 32 LEU CB C 32 42.468 42.468 41.769 0.699 19632 2422 1 8 . 1 1 32 32 LEU H H 32 8.171 8.171 8.213 -0.042 19632 2423 1 8 . 1 1 33 33 TYR N N 33 124.923 124.923 120.739 4.184 19632 2424 1 8 . 1 1 33 33 TYR HA H 33 4.557 4.557 4.726 -0.169 19632 2425 1 8 . 1 1 33 33 TYR CA C 33 56.404 56.404 56.392 0.012 19632 2426 1 8 . 1 1 33 33 TYR CB C 33 39.131 39.131 40.140 -1.009 19632 2427 1 8 . 1 1 33 33 TYR H H 33 8.415 8.415 8.618 -0.203 19632 2428 1 8 . 1 1 34 34 ALA N N 34 120.211 120.211 120.771 -0.560 19632 2429 1 8 . 1 1 34 34 ALA HA H 34 5.528 5.528 5.694 -0.166 19632 2430 1 8 . 1 1 34 34 ALA CA C 34 52.196 52.196 51.090 1.107 19632 2431 1 8 . 1 1 34 34 ALA CB C 34 22.633 22.633 22.211 0.422 19632 2432 1 8 . 1 1 34 34 ALA H H 34 7.399 7.399 7.210 0.189 19632 2433 1 8 . 1 1 35 35 ILE N N 35 118.197 118.197 122.285 -4.088 19632 2434 1 8 . 1 1 35 35 ILE HA H 35 5.157 5.157 4.920 0.237 19632 2435 1 8 . 1 1 35 35 ILE CA C 35 60.000 60.000 60.208 -0.208 19632 2436 1 8 . 1 1 35 35 ILE CB C 35 43.639 43.639 41.569 2.070 19632 2437 1 8 . 1 1 35 35 ILE H H 35 9.224 9.224 8.288 0.936 19632 2438 1 8 . 1 1 36 36 LYS N N 36 127.872 127.872 129.391 -1.519 19632 2439 1 8 . 1 1 36 36 LYS HA H 36 4.204 4.204 4.812 -0.608 19632 2440 1 8 . 1 1 36 36 LYS CA C 36 55.245 55.245 54.401 0.844 19632 2441 1 8 . 1 1 36 36 LYS CB C 36 36.092 36.092 34.085 2.007 19632 2442 1 8 . 1 1 36 36 LYS H H 36 9.708 9.708 8.893 0.815 19632 2443 1 8 . 1 1 37 37 VAL N N 37 128.005 128.005 127.736 0.269 19632 2444 1 8 . 1 1 37 37 VAL HA H 37 4.043 4.043 4.616 -0.573 19632 2445 1 8 . 1 1 37 37 VAL CA C 37 61.840 61.840 59.506 2.334 19632 2446 1 8 . 1 1 37 37 VAL CB C 37 32.523 32.523 34.322 -1.799 19632 2447 1 8 . 1 1 37 37 VAL H H 37 8.551 8.551 7.532 1.019 19632 2448 1 8 . 1 1 38 38 VAL N N 38 125.034 125.034 129.377 -4.343 19632 2449 1 8 . 1 1 38 38 VAL HA H 38 4.277 4.277 4.425 -0.148 19632 2450 1 8 . 1 1 38 38 VAL CA C 38 59.287 59.287 58.415 0.872 19632 2451 1 8 . 1 1 38 38 VAL CB C 38 32.568 32.568 30.661 1.907 19632 2452 1 8 . 1 1 38 38 VAL H H 38 8.668 8.668 9.027 -0.359 19632 2453 1 8 . 1 1 39 39 PRO HA H 39 4.565 4.565 5.155 -0.590 19632 2454 1 8 . 1 1 39 39 PRO CA C 39 62.202 62.202 61.590 0.612 19632 2455 1 8 . 1 1 39 39 PRO CB C 39 32.887 32.887 33.597 -0.710 19632 2456 1 8 . 1 1 40 40 LYS N N 40 121.622 121.622 120.170 1.452 19632 2457 1 8 . 1 1 40 40 LYS HA H 40 3.877 3.877 3.899 -0.022 19632 2458 1 8 . 1 1 40 40 LYS CA C 40 58.950 58.950 58.498 0.452 19632 2459 1 8 . 1 1 40 40 LYS CB C 40 32.988 32.988 32.569 0.419 19632 2460 1 8 . 1 1 40 40 LYS H H 40 8.275 8.275 8.639 -0.364 19632 2461 1 8 . 1 1 41 41 HIS N N 41 114.012 114.012 117.371 -3.359 19632 2462 1 8 . 1 1 41 41 HIS HA H 41 4.795 4.795 4.648 0.147 19632 2463 1 8 . 1 1 41 41 HIS CA C 41 54.904 54.904 55.713 -0.809 19632 2464 1 8 . 1 1 41 41 HIS CB C 41 30.835 30.835 31.071 -0.236 19632 2465 1 8 . 1 1 41 41 HIS H H 41 8.040 8.040 8.162 -0.122 19632 2466 1 8 . 1 1 42 42 GLY N N 42 109.068 109.068 110.902 -1.834 19632 2467 1 8 . 1 1 42 42 GLY CA C 42 44.482 44.482 44.659 -0.177 19632 2468 1 8 . 1 1 42 42 GLY H H 42 7.966 7.966 8.663 -0.697 19632 2469 1 8 . 1 1 43 43 LYS N N 43 120.287 120.287 118.682 1.605 19632 2470 1 8 . 1 1 43 43 LYS HA H 43 4.680 4.680 4.073 0.607 19632 2471 1 8 . 1 1 43 43 LYS CA C 43 54.392 54.392 56.265 -1.873 19632 2472 1 8 . 1 1 43 43 LYS CB C 43 33.511 33.511 31.770 1.742 19632 2473 1 8 . 1 1 43 43 LYS H H 43 8.209 8.209 7.708 0.500 19632 2474 1 8 . 1 1 44 44 PRO HA H 44 5.013 5.013 4.683 0.330 19632 2475 1 8 . 1 1 44 44 PRO CA C 44 62.744 62.744 63.269 -0.525 19632 2476 1 8 . 1 1 44 44 PRO CB C 44 33.747 33.747 31.817 1.931 19632 2477 1 8 . 1 1 45 45 TYR N N 45 115.140 115.140 119.701 -4.561 19632 2478 1 8 . 1 1 45 45 TYR HA H 45 4.897 4.897 4.909 -0.012 19632 2479 1 8 . 1 1 45 45 TYR CA C 45 56.387 56.387 54.887 1.500 19632 2480 1 8 . 1 1 45 45 TYR CB C 45 40.574 40.574 40.662 -0.088 19632 2481 1 8 . 1 1 45 45 TYR H H 45 8.176 8.176 8.092 0.084 19632 2482 1 8 . 1 1 46 46 PHE N N 46 115.001 115.001 119.584 -4.583 19632 2483 1 8 . 1 1 46 46 PHE HA H 46 5.662 5.662 4.843 0.819 19632 2484 1 8 . 1 1 46 46 PHE CA C 46 56.395 56.395 56.862 -0.467 19632 2485 1 8 . 1 1 46 46 PHE CB C 46 43.736 43.736 41.036 2.700 19632 2486 1 8 . 1 1 46 46 PHE H H 46 8.607 8.607 9.326 -0.719 19632 2487 1 8 . 1 1 47 47 LEU N N 47 121.747 121.747 125.000 -3.253 19632 2488 1 8 . 1 1 47 47 LEU HA H 47 5.339 5.339 4.908 0.431 19632 2489 1 8 . 1 1 47 47 LEU CA C 47 54.116 54.116 54.152 -0.036 19632 2490 1 8 . 1 1 47 47 LEU CB C 47 44.357 44.357 42.114 2.244 19632 2491 1 8 . 1 1 47 47 LEU H H 47 9.631 9.631 9.078 0.553 19632 2492 1 8 . 1 1 48 48 VAL N N 48 122.850 122.850 124.671 -1.821 19632 2493 1 8 . 1 1 48 48 VAL HA H 48 4.476 4.476 4.433 0.043 19632 2494 1 8 . 1 1 48 48 VAL CA C 48 61.559 61.559 61.622 -0.063 19632 2495 1 8 . 1 1 48 48 VAL CB C 48 35.232 35.232 32.134 3.098 19632 2496 1 8 . 1 1 48 48 VAL H H 48 9.334 9.334 9.250 0.084 19632 2497 1 8 . 1 1 49 49 ARG N N 49 129.488 129.488 128.740 0.748 19632 2498 1 8 . 1 1 49 49 ARG HA H 49 3.045 3.045 3.429 -0.384 19632 2499 1 8 . 1 1 49 49 ARG CA C 49 56.623 56.623 55.228 1.395 19632 2500 1 8 . 1 1 49 49 ARG CB C 49 31.326 31.326 30.258 1.068 19632 2501 1 8 . 1 1 49 49 ARG H H 49 8.451 8.451 8.781 -0.330 19632 2502 1 8 . 1 1 50 50 ALA N N 50 131.016 131.016 131.427 -0.411 19632 2503 1 8 . 1 1 50 50 ALA HA H 50 4.418 4.418 4.286 0.132 19632 2504 1 8 . 1 1 50 50 ALA CA C 50 51.502 51.502 51.213 0.289 19632 2505 1 8 . 1 1 50 50 ALA CB C 50 20.364 20.364 19.408 0.956 19632 2506 1 8 . 1 1 50 50 ALA H H 50 8.524 8.524 7.615 0.909 19632 2507 1 8 . 1 1 51 51 ASP N N 51 112.516 112.516 123.537 -11.021 19632 2508 1 8 . 1 1 51 51 ASP HA H 51 4.413 4.413 4.300 0.113 19632 2509 1 8 . 1 1 51 51 ASP CA C 51 54.301 54.301 55.480 -1.179 19632 2510 1 8 . 1 1 51 51 ASP CB C 51 41.710 41.710 41.344 0.366 19632 2511 1 8 . 1 1 51 51 ASP H H 51 8.597 8.597 8.392 0.205 19632 2512 1 8 . 1 1 52 52 GLY N N 52 106.147 106.147 110.725 -4.578 19632 2513 1 8 . 1 1 52 52 GLY CA C 52 45.499 45.499 44.410 1.089 19632 2514 1 8 . 1 1 52 52 GLY H H 52 8.378 8.378 8.115 0.263 19632 2515 1 8 . 1 1 53 53 SER N N 53 115.000 115.000 118.265 -3.265 19632 2516 1 8 . 1 1 53 53 SER HA H 53 4.439 4.439 4.498 -0.059 19632 2517 1 8 . 1 1 53 53 SER CA C 53 60.282 60.282 58.360 1.922 19632 2518 1 8 . 1 1 53 53 SER CB C 53 64.175 64.175 62.882 1.293 19632 2519 1 8 . 1 1 53 53 SER H H 53 8.677 8.677 8.710 -0.033 19632 2520 1 8 . 1 1 54 54 ASP N N 54 119.220 119.220 121.695 -2.475 19632 2521 1 8 . 1 1 54 54 ASP HA H 54 4.595 4.595 4.609 -0.014 19632 2522 1 8 . 1 1 54 54 ASP CA C 54 55.689 55.689 54.461 1.228 19632 2523 1 8 . 1 1 54 54 ASP CB C 54 41.326 41.326 41.323 0.003 19632 2524 1 8 . 1 1 54 54 ASP H H 54 8.364 8.364 7.788 0.576 19632 2525 1 8 . 1 1 55 55 GLY N N 55 107.460 107.460 106.356 1.104 19632 2526 1 8 . 1 1 55 55 GLY CA C 55 47.210 47.210 44.915 2.295 19632 2527 1 8 . 1 1 55 55 GLY H H 55 7.801 7.801 8.378 -0.577 19632 2528 1 8 . 1 1 56 56 ASN N N 56 116.076 116.076 116.769 -0.693 19632 2529 1 8 . 1 1 56 56 ASN HA H 56 4.997 4.997 5.629 -0.632 19632 2530 1 8 . 1 1 56 56 ASN CA C 56 53.235 53.235 52.666 0.569 19632 2531 1 8 . 1 1 56 56 ASN CB C 56 41.540 41.540 42.697 -1.157 19632 2532 1 8 . 1 1 56 56 ASN H H 56 7.919 7.919 7.743 0.176 19632 2533 1 8 . 1 1 57 57 PHE N N 57 118.405 118.405 119.439 -1.034 19632 2534 1 8 . 1 1 57 57 PHE HA H 57 5.043 5.043 5.108 -0.065 19632 2535 1 8 . 1 1 57 57 PHE CA C 57 56.786 56.786 56.729 0.057 19632 2536 1 8 . 1 1 57 57 PHE CB C 57 44.374 44.374 44.155 0.219 19632 2537 1 8 . 1 1 57 57 PHE H H 57 9.203 9.203 8.475 0.728 19632 2538 1 8 . 1 1 58 58 ILE N N 58 118.503 118.503 119.647 -1.144 19632 2539 1 8 . 1 1 58 58 ILE HA H 58 4.507 4.507 4.580 -0.073 19632 2540 1 8 . 1 1 58 58 ILE CA C 58 60.493 60.493 58.734 1.759 19632 2541 1 8 . 1 1 58 58 ILE CB C 58 42.447 42.447 39.965 2.482 19632 2542 1 8 . 1 1 58 58 ILE H H 58 9.222 9.222 9.059 0.163 19632 2543 1 8 . 1 1 59 59 ARG N N 59 126.283 126.283 126.709 -0.426 19632 2544 1 8 . 1 1 59 59 ARG HA H 59 5.111 5.111 5.679 -0.568 19632 2545 1 8 . 1 1 59 59 ARG CA C 59 55.839 55.839 55.123 0.716 19632 2546 1 8 . 1 1 59 59 ARG CB C 59 32.157 32.157 31.582 0.575 19632 2547 1 8 . 1 1 59 59 ARG H H 59 9.298 9.298 8.920 0.378 19632 2548 1 8 . 1 1 60 60 SER N N 60 119.913 119.913 121.593 -1.680 19632 2549 1 8 . 1 1 60 60 SER HA H 60 3.887 3.887 4.248 -0.361 19632 2550 1 8 . 1 1 60 60 SER CA C 60 62.373 62.373 61.437 0.936 19632 2551 1 8 . 1 1 60 60 SER CB C 60 62.777 62.777 63.220 -0.443 19632 2552 1 8 . 1 1 60 60 SER H H 60 9.698 9.698 9.017 0.681 19632 2553 1 8 . 1 1 61 61 ASP N N 61 117.504 117.504 120.317 -2.813 19632 2554 1 8 . 1 1 61 61 ASP HA H 61 4.764 4.764 4.609 0.155 19632 2555 1 8 . 1 1 61 61 ASP CA C 61 53.789 53.789 55.574 -1.785 19632 2556 1 8 . 1 1 61 61 ASP CB C 61 40.082 40.082 41.306 -1.224 19632 2557 1 8 . 1 1 61 61 ASP H H 61 8.769 8.769 8.598 0.171 19632 2558 1 8 . 1 1 62 62 GLN N N 62 118.595 118.595 117.391 1.204 19632 2559 1 8 . 1 1 62 62 GLN HA H 62 4.779 4.779 4.795 -0.016 19632 2560 1 8 . 1 1 62 62 GLN CA C 62 54.066 54.066 53.469 0.597 19632 2561 1 8 . 1 1 62 62 GLN CB C 62 30.309 30.309 29.154 1.155 19632 2562 1 8 . 1 1 62 62 GLN H H 62 7.467 7.467 7.723 -0.256 19632 2563 1 8 . 1 1 63 63 PRO HA H 63 4.662 4.662 4.493 0.169 19632 2564 1 8 . 1 1 63 63 PRO CB C 63 32.293 32.293 31.896 0.397 19632 2565 1 8 . 1 1 64 64 ASP N N 64 116.697 116.697 116.485 0.212 19632 2566 1 8 . 1 1 64 64 ASP HA H 64 4.662 4.662 4.595 0.067 19632 2567 1 8 . 1 1 64 64 ASP CA C 64 54.449 54.449 54.036 0.413 19632 2568 1 8 . 1 1 64 64 ASP CB C 64 41.201 41.201 41.278 -0.077 19632 2569 1 8 . 1 1 64 64 ASP H H 64 8.389 8.389 8.531 -0.142 19632 2570 1 8 . 1 1 65 65 LYS N N 65 119.781 119.781 120.092 -0.311 19632 2571 1 8 . 1 1 65 65 LYS HA H 65 4.547 4.547 4.490 0.057 19632 2572 1 8 . 1 1 65 65 LYS CA C 65 55.469 55.469 55.194 0.275 19632 2573 1 8 . 1 1 65 65 LYS CB C 65 34.796 34.796 33.814 0.982 19632 2574 1 8 . 1 1 65 65 LYS H H 65 7.592 7.592 7.419 0.173 19632 2575 1 8 . 1 1 66 66 LEU N N 66 125.131 125.131 125.989 -0.858 19632 2576 1 8 . 1 1 66 66 LEU HA H 66 4.708 4.708 4.321 0.387 19632 2577 1 8 . 1 1 66 66 LEU CA C 66 54.496 54.496 54.583 -0.087 19632 2578 1 8 . 1 1 66 66 LEU CB C 66 44.010 44.010 42.247 1.763 19632 2579 1 8 . 1 1 66 66 LEU H H 66 8.300 8.300 8.483 -0.183 19632 2580 1 8 . 1 1 67 67 ILE N N 67 124.524 124.524 126.417 -1.893 19632 2581 1 8 . 1 1 67 67 ILE HA H 67 4.447 4.447 4.257 0.190 19632 2582 1 8 . 1 1 67 67 ILE CA C 67 57.824 57.824 57.828 -0.004 19632 2583 1 8 . 1 1 67 67 ILE CB C 67 40.744 40.744 37.079 3.665 19632 2584 1 8 . 1 1 67 67 ILE H H 67 9.427 9.427 8.411 1.016 19632 2585 1 8 . 1 1 68 68 PRO HA H 68 4.649 4.649 4.370 0.279 19632 2586 1 8 . 1 1 68 68 PRO CB C 68 32.644 32.644 32.220 0.424 19632 2587 1 8 . 1 1 69 69 GLN N N 69 119.126 119.126 118.602 0.524 19632 2588 1 8 . 1 1 69 69 GLN HA H 69 3.730 3.730 4.101 -0.371 19632 2589 1 8 . 1 1 69 69 GLN CA C 69 59.447 59.447 59.428 0.019 19632 2590 1 8 . 1 1 69 69 GLN CB C 69 28.819 28.819 28.875 -0.056 19632 2591 1 8 . 1 1 69 69 GLN H H 69 8.386 8.386 8.449 -0.063 19632 2592 1 8 . 1 1 70 70 TRP N N 70 112.076 112.076 115.427 -3.351 19632 2593 1 8 . 1 1 70 70 TRP HA H 70 4.525 4.525 4.645 -0.120 19632 2594 1 8 . 1 1 70 70 TRP CA C 70 58.197 58.197 58.040 0.157 19632 2595 1 8 . 1 1 70 70 TRP CB C 70 28.016 28.016 28.620 -0.604 19632 2596 1 8 . 1 1 70 70 TRP H H 70 6.972 6.972 7.883 -0.911 19632 2597 1 8 . 1 1 71 71 GLU N N 71 119.388 119.388 118.514 0.874 19632 2598 1 8 . 1 1 71 71 GLU HA H 71 4.249 4.249 4.392 -0.143 19632 2599 1 8 . 1 1 71 71 GLU CA C 71 56.654 56.654 57.315 -0.661 19632 2600 1 8 . 1 1 71 71 GLU CB C 71 30.938 30.938 30.476 0.462 19632 2601 1 8 . 1 1 71 71 GLU H H 71 7.386 7.386 7.244 0.142 19632 2602 1 8 . 1 1 72 72 ILE N N 72 115.759 115.759 117.010 -1.251 19632 2603 1 8 . 1 1 72 72 ILE HA H 72 3.324 3.324 3.831 -0.507 19632 2604 1 8 . 1 1 72 72 ILE CA C 72 64.205 64.205 63.825 0.380 19632 2605 1 8 . 1 1 72 72 ILE CB C 72 38.012 38.012 37.710 0.302 19632 2606 1 8 . 1 1 72 72 ILE H H 72 6.754 6.754 7.439 -0.685 19632 2607 1 8 . 1 1 73 73 PHE N N 73 115.942 115.942 117.125 -1.183 19632 2608 1 8 . 1 1 73 73 PHE HA H 73 4.248 4.248 4.130 0.118 19632 2609 1 8 . 1 1 73 73 PHE CA C 73 56.514 56.514 56.847 -0.334 19632 2610 1 8 . 1 1 73 73 PHE CB C 73 38.479 38.479 37.901 0.578 19632 2611 1 8 . 1 1 73 73 PHE H H 73 7.388 7.388 7.540 -0.152 19632 2612 1 8 . 1 1 74 74 SER N N 74 114.787 114.787 115.132 -0.345 19632 2613 1 8 . 1 1 74 74 SER HA H 74 4.358 4.358 4.248 0.110 19632 2614 1 8 . 1 1 74 74 SER CA C 74 58.265 58.265 60.599 -2.334 19632 2615 1 8 . 1 1 74 74 SER CB C 74 63.783 63.783 63.869 -0.086 19632 2616 1 8 . 1 1 74 74 SER H H 74 7.203 7.203 7.501 -0.298 19632 2617 1 9 . 1 1 2 2 ALA HA H 2 4.290 4.290 4.647 -0.357 19632 2618 1 9 . 1 1 2 2 ALA CA C 2 53.589 53.589 51.535 2.054 19632 2619 1 9 . 1 1 2 2 ALA CB C 2 19.556 19.556 20.058 -0.502 19632 2620 1 9 . 1 1 5 5 ASP N N 5 116.992 116.992 120.589 -3.597 19632 2621 1 9 . 1 1 5 5 ASP HA H 5 4.622 4.622 4.642 -0.020 19632 2622 1 9 . 1 1 5 5 ASP CA C 5 54.508 54.508 54.482 0.026 19632 2623 1 9 . 1 1 5 5 ASP CB C 5 41.375 41.375 41.733 -0.358 19632 2624 1 9 . 1 1 5 5 ASP H H 5 8.372 8.372 8.364 0.008 19632 2625 1 9 . 1 1 6 6 ALA N N 6 124.275 124.275 126.358 -2.083 19632 2626 1 9 . 1 1 6 6 ALA HA H 6 4.582 4.582 4.647 -0.065 19632 2627 1 9 . 1 1 6 6 ALA CA C 6 48.068 48.068 50.682 -2.614 19632 2628 1 9 . 1 1 6 6 ALA CB C 6 18.765 18.765 19.004 -0.239 19632 2629 1 9 . 1 1 6 6 ALA H H 6 7.984 7.984 8.378 -0.394 19632 2630 1 9 . 1 1 7 7 PRO HA H 7 4.486 4.486 4.770 -0.284 19632 2631 1 9 . 1 1 7 7 PRO CA C 7 63.406 63.406 62.550 0.856 19632 2632 1 9 . 1 1 7 7 PRO CB C 7 32.491 32.491 32.534 -0.043 19632 2633 1 9 . 1 1 8 8 SER N N 8 115.947 115.947 112.857 3.090 19632 2634 1 9 . 1 1 8 8 SER HA H 8 4.483 4.483 4.884 -0.401 19632 2635 1 9 . 1 1 8 8 SER CA C 8 58.635 58.635 57.637 0.998 19632 2636 1 9 . 1 1 8 8 SER CB C 8 64.447 64.447 65.662 -1.215 19632 2637 1 9 . 1 1 8 8 SER H H 8 8.424 8.424 8.414 0.010 19632 2638 1 9 . 1 1 9 9 GLY N N 9 109.902 109.902 108.578 1.324 19632 2639 1 9 . 1 1 9 9 GLY CA C 9 45.804 45.804 45.455 0.349 19632 2640 1 9 . 1 1 9 9 GLY H H 9 8.352 8.352 8.418 -0.066 19632 2641 1 9 . 1 1 10 10 GLU N N 10 119.364 119.364 117.272 2.092 19632 2642 1 9 . 1 1 10 10 GLU HA H 10 4.808 4.808 4.156 0.652 19632 2643 1 9 . 1 1 10 10 GLU CA C 10 53.481 53.481 56.161 -2.680 19632 2644 1 9 . 1 1 10 10 GLU CB C 10 30.956 30.956 27.768 3.188 19632 2645 1 9 . 1 1 10 10 GLU H H 10 8.071 8.071 8.460 -0.389 19632 2646 1 9 . 1 1 11 11 PRO HA H 11 5.012 5.012 4.776 0.236 19632 2647 1 9 . 1 1 11 11 PRO CA C 11 63.350 63.350 62.472 0.878 19632 2648 1 9 . 1 1 11 11 PRO CB C 11 34.176 34.176 32.290 1.886 19632 2649 1 9 . 1 1 12 12 ASP N N 12 122.007 122.007 125.623 -3.616 19632 2650 1 9 . 1 1 12 12 ASP HA H 12 5.030 5.030 4.772 0.258 19632 2651 1 9 . 1 1 12 12 ASP CA C 12 53.249 53.249 53.733 -0.484 19632 2652 1 9 . 1 1 12 12 ASP CB C 12 45.006 45.006 43.783 1.223 19632 2653 1 9 . 1 1 12 12 ASP H H 12 9.396 9.396 8.921 0.475 19632 2654 1 9 . 1 1 13 13 VAL N N 13 120.517 120.517 126.473 -5.956 19632 2655 1 9 . 1 1 13 13 VAL HA H 13 5.090 5.090 4.251 0.839 19632 2656 1 9 . 1 1 13 13 VAL CA C 13 59.653 59.653 61.369 -1.716 19632 2657 1 9 . 1 1 13 13 VAL CB C 13 35.347 35.347 32.175 3.172 19632 2658 1 9 . 1 1 13 13 VAL H H 13 8.402 8.402 8.492 -0.090 19632 2659 1 9 . 1 1 14 14 THR N N 14 122.388 122.388 126.602 -4.214 19632 2660 1 9 . 1 1 14 14 THR HA H 14 4.465 4.465 4.397 0.068 19632 2661 1 9 . 1 1 14 14 THR CA C 14 61.591 61.591 61.893 -0.302 19632 2662 1 9 . 1 1 14 14 THR CB C 14 71.537 71.537 68.374 3.163 19632 2663 1 9 . 1 1 14 14 THR H H 14 8.397 8.397 8.749 -0.352 19632 2664 1 9 . 1 1 15 15 ILE N N 15 125.929 125.929 128.780 -2.851 19632 2665 1 9 . 1 1 15 15 ILE HA H 15 4.882 4.882 4.306 0.576 19632 2666 1 9 . 1 1 15 15 ILE CA C 15 60.655 60.655 61.335 -0.680 19632 2667 1 9 . 1 1 15 15 ILE CB C 15 40.004 40.004 37.420 2.584 19632 2668 1 9 . 1 1 15 15 ILE H H 15 8.628 8.628 8.543 0.085 19632 2669 1 9 . 1 1 16 16 ARG N N 16 125.332 125.332 127.939 -2.607 19632 2670 1 9 . 1 1 16 16 ARG HA H 16 4.662 4.662 4.720 -0.058 19632 2671 1 9 . 1 1 16 16 ARG CA C 16 54.731 54.731 53.738 0.993 19632 2672 1 9 . 1 1 16 16 ARG CB C 16 33.731 33.731 34.079 -0.348 19632 2673 1 9 . 1 1 16 16 ARG H H 16 9.057 9.057 8.889 0.168 19632 2674 1 9 . 1 1 17 17 GLN N N 17 121.044 121.044 118.891 2.153 19632 2675 1 9 . 1 1 17 17 GLN HA H 17 4.803 4.803 4.857 -0.054 19632 2676 1 9 . 1 1 17 17 GLN CA C 17 55.241 55.241 55.390 -0.149 19632 2677 1 9 . 1 1 17 17 GLN CB C 17 30.461 30.461 31.203 -0.741 19632 2678 1 9 . 1 1 17 17 GLN H H 17 8.508 8.508 8.573 -0.065 19632 2679 1 9 . 1 1 18 18 GLU N N 18 125.409 125.409 126.131 -0.722 19632 2680 1 9 . 1 1 18 18 GLU HA H 18 4.529 4.529 4.599 -0.070 19632 2681 1 9 . 1 1 18 18 GLU CA C 18 55.018 55.018 54.522 0.496 19632 2682 1 9 . 1 1 18 18 GLU CB C 18 31.654 31.654 30.364 1.290 19632 2683 1 9 . 1 1 18 18 GLU H H 18 8.394 8.394 8.895 -0.501 19632 2684 1 9 . 1 1 19 19 GLY N N 19 114.286 114.286 115.918 -1.632 19632 2685 1 9 . 1 1 19 19 GLY CA C 19 47.887 47.887 46.548 1.339 19632 2686 1 9 . 1 1 19 19 GLY H H 19 8.804 8.804 8.578 0.226 19632 2687 1 9 . 1 1 20 20 ASP N N 20 124.137 124.137 124.472 -0.335 19632 2688 1 9 . 1 1 20 20 ASP HA H 20 4.536 4.536 4.769 -0.233 19632 2689 1 9 . 1 1 20 20 ASP CA C 20 54.019 54.019 54.151 -0.132 19632 2690 1 9 . 1 1 20 20 ASP CB C 20 41.053 41.053 42.366 -1.313 19632 2691 1 9 . 1 1 20 20 ASP H H 20 8.519 8.519 8.701 -0.182 19632 2692 1 9 . 1 1 21 21 LYS N N 21 116.711 116.711 120.862 -4.151 19632 2693 1 9 . 1 1 21 21 LYS HA H 21 4.648 4.648 4.724 -0.076 19632 2694 1 9 . 1 1 21 21 LYS CA C 21 55.468 55.468 55.414 0.054 19632 2695 1 9 . 1 1 21 21 LYS CB C 21 34.941 34.941 33.328 1.613 19632 2696 1 9 . 1 1 21 21 LYS H H 21 7.696 7.696 7.414 0.282 19632 2697 1 9 . 1 1 22 22 THR N N 22 118.655 118.655 121.409 -2.754 19632 2698 1 9 . 1 1 22 22 THR HA H 22 4.541 4.541 4.507 0.034 19632 2699 1 9 . 1 1 22 22 THR CA C 22 62.936 62.936 63.153 -0.217 19632 2700 1 9 . 1 1 22 22 THR CB C 22 70.275 70.275 69.602 0.673 19632 2701 1 9 . 1 1 22 22 THR H H 22 7.994 7.994 8.467 -0.473 19632 2702 1 9 . 1 1 23 23 ILE N N 23 126.114 126.114 127.684 -1.570 19632 2703 1 9 . 1 1 23 23 ILE HA H 23 4.699 4.699 4.264 0.435 19632 2704 1 9 . 1 1 23 23 ILE CA C 23 59.119 59.119 58.589 0.530 19632 2705 1 9 . 1 1 23 23 ILE CB C 23 40.729 40.729 37.363 3.366 19632 2706 1 9 . 1 1 23 23 ILE H H 23 8.957 8.957 9.205 -0.248 19632 2707 1 9 . 1 1 24 24 GLN N N 24 123.560 123.560 127.290 -3.730 19632 2708 1 9 . 1 1 24 24 GLN HA H 24 5.121 5.121 4.606 0.515 19632 2709 1 9 . 1 1 24 24 GLN CA C 24 53.653 53.653 54.242 -0.589 19632 2710 1 9 . 1 1 24 24 GLN CB C 24 30.573 30.573 28.781 1.792 19632 2711 1 9 . 1 1 24 24 GLN H H 24 8.932 8.932 8.653 0.279 19632 2712 1 9 . 1 1 25 25 GLU N N 25 122.651 122.651 125.075 -2.424 19632 2713 1 9 . 1 1 25 25 GLU HA H 25 4.462 4.462 4.446 0.016 19632 2714 1 9 . 1 1 25 25 GLU CA C 25 55.548 55.548 55.338 0.210 19632 2715 1 9 . 1 1 25 25 GLU CB C 25 32.644 32.644 30.008 2.636 19632 2716 1 9 . 1 1 25 25 GLU H H 25 8.987 8.987 8.847 0.140 19632 2717 1 9 . 1 1 26 26 TYR N N 26 124.044 124.044 126.731 -2.687 19632 2718 1 9 . 1 1 26 26 TYR HA H 26 4.756 4.756 4.319 0.437 19632 2719 1 9 . 1 1 26 26 TYR CA C 26 58.317 58.317 58.494 -0.177 19632 2720 1 9 . 1 1 26 26 TYR CB C 26 38.543 38.543 37.127 1.416 19632 2721 1 9 . 1 1 26 26 TYR H H 26 8.930 8.930 8.962 -0.032 19632 2722 1 9 . 1 1 27 27 ARG N N 27 119.739 119.739 124.849 -5.110 19632 2723 1 9 . 1 1 27 27 ARG HA H 27 5.657 5.657 5.213 0.444 19632 2724 1 9 . 1 1 27 27 ARG CA C 27 53.860 53.860 55.010 -1.150 19632 2725 1 9 . 1 1 27 27 ARG CB C 27 36.310 36.310 32.857 3.453 19632 2726 1 9 . 1 1 27 27 ARG H H 27 8.496 8.496 8.339 0.157 19632 2727 1 9 . 1 1 28 28 VAL N N 28 115.698 115.698 125.202 -9.504 19632 2728 1 9 . 1 1 28 28 VAL HA H 28 4.526 4.526 4.144 0.382 19632 2729 1 9 . 1 1 28 28 VAL CA C 28 60.002 60.002 64.212 -4.210 19632 2730 1 9 . 1 1 28 28 VAL CB C 28 34.889 34.889 32.861 2.028 19632 2731 1 9 . 1 1 28 28 VAL H H 28 8.716 8.716 8.467 0.249 19632 2732 1 9 . 1 1 29 29 ASN N N 29 128.827 128.827 119.761 9.066 19632 2733 1 9 . 1 1 29 29 ASN HA H 29 4.309 4.309 4.785 -0.476 19632 2734 1 9 . 1 1 29 29 ASN CA C 29 54.385 54.385 52.937 1.448 19632 2735 1 9 . 1 1 29 29 ASN CB C 29 38.270 38.270 36.699 1.571 19632 2736 1 9 . 1 1 29 29 ASN H H 29 9.605 9.605 8.452 1.153 19632 2737 1 9 . 1 1 30 30 GLY N N 30 103.111 103.111 108.376 -5.265 19632 2738 1 9 . 1 1 30 30 GLY CA C 30 45.901 45.901 45.813 0.088 19632 2739 1 9 . 1 1 30 30 GLY H H 30 8.784 8.784 8.144 0.640 19632 2740 1 9 . 1 1 31 31 PHE N N 31 123.693 123.693 119.727 3.966 19632 2741 1 9 . 1 1 31 31 PHE HA H 31 4.529 4.529 4.805 -0.276 19632 2742 1 9 . 1 1 31 31 PHE CA C 31 57.924 57.924 56.270 1.653 19632 2743 1 9 . 1 1 31 31 PHE CB C 31 40.207 40.207 41.797 -1.590 19632 2744 1 9 . 1 1 31 31 PHE H H 31 8.191 8.191 7.798 0.393 19632 2745 1 9 . 1 1 32 32 LEU N N 32 130.348 130.348 129.800 0.548 19632 2746 1 9 . 1 1 32 32 LEU HA H 32 4.427 4.427 4.550 -0.123 19632 2747 1 9 . 1 1 32 32 LEU CA C 32 55.517 55.517 53.997 1.520 19632 2748 1 9 . 1 1 32 32 LEU CB C 32 42.468 42.468 42.383 0.084 19632 2749 1 9 . 1 1 32 32 LEU H H 32 8.171 8.171 8.446 -0.275 19632 2750 1 9 . 1 1 33 33 TYR N N 33 124.923 124.923 122.147 2.776 19632 2751 1 9 . 1 1 33 33 TYR HA H 33 4.557 4.557 4.679 -0.122 19632 2752 1 9 . 1 1 33 33 TYR CA C 33 56.404 56.404 56.172 0.232 19632 2753 1 9 . 1 1 33 33 TYR CB C 33 39.131 39.131 39.936 -0.805 19632 2754 1 9 . 1 1 33 33 TYR H H 33 8.415 8.415 8.628 -0.213 19632 2755 1 9 . 1 1 34 34 ALA N N 34 120.211 120.211 120.429 -0.218 19632 2756 1 9 . 1 1 34 34 ALA HA H 34 5.528 5.528 5.440 0.088 19632 2757 1 9 . 1 1 34 34 ALA CA C 34 52.196 52.196 51.737 0.459 19632 2758 1 9 . 1 1 34 34 ALA CB C 34 22.633 22.633 21.898 0.735 19632 2759 1 9 . 1 1 34 34 ALA H H 34 7.399 7.399 7.150 0.249 19632 2760 1 9 . 1 1 35 35 ILE N N 35 118.197 118.197 121.161 -2.964 19632 2761 1 9 . 1 1 35 35 ILE HA H 35 5.157 5.157 4.865 0.292 19632 2762 1 9 . 1 1 35 35 ILE CA C 35 60.000 60.000 59.907 0.093 19632 2763 1 9 . 1 1 35 35 ILE CB C 35 43.639 43.639 41.960 1.679 19632 2764 1 9 . 1 1 35 35 ILE H H 35 9.224 9.224 8.635 0.589 19632 2765 1 9 . 1 1 36 36 LYS N N 36 127.872 127.872 128.218 -0.346 19632 2766 1 9 . 1 1 36 36 LYS HA H 36 4.204 4.204 4.270 -0.066 19632 2767 1 9 . 1 1 36 36 LYS CA C 36 55.245 55.245 54.578 0.667 19632 2768 1 9 . 1 1 36 36 LYS CB C 36 36.092 36.092 33.507 2.585 19632 2769 1 9 . 1 1 36 36 LYS H H 36 9.708 9.708 8.660 1.048 19632 2770 1 9 . 1 1 37 37 VAL N N 37 128.005 128.005 128.186 -0.181 19632 2771 1 9 . 1 1 37 37 VAL HA H 37 4.043 4.043 4.680 -0.637 19632 2772 1 9 . 1 1 37 37 VAL CA C 37 61.840 61.840 59.720 2.120 19632 2773 1 9 . 1 1 37 37 VAL CB C 37 32.523 32.523 33.529 -1.006 19632 2774 1 9 . 1 1 37 37 VAL H H 37 8.551 8.551 7.833 0.718 19632 2775 1 9 . 1 1 38 38 VAL N N 38 125.034 125.034 129.354 -4.320 19632 2776 1 9 . 1 1 38 38 VAL HA H 38 4.277 4.277 4.438 -0.161 19632 2777 1 9 . 1 1 38 38 VAL CA C 38 59.287 59.287 58.004 1.283 19632 2778 1 9 . 1 1 38 38 VAL CB C 38 32.568 32.568 31.403 1.165 19632 2779 1 9 . 1 1 38 38 VAL H H 38 8.668 8.668 9.006 -0.338 19632 2780 1 9 . 1 1 39 39 PRO HA H 39 4.565 4.565 4.677 -0.112 19632 2781 1 9 . 1 1 39 39 PRO CA C 39 62.202 62.202 62.200 0.002 19632 2782 1 9 . 1 1 39 39 PRO CB C 39 32.887 32.887 33.103 -0.216 19632 2783 1 9 . 1 1 40 40 LYS N N 40 121.622 121.622 120.058 1.564 19632 2784 1 9 . 1 1 40 40 LYS HA H 40 3.877 3.877 3.920 -0.043 19632 2785 1 9 . 1 1 40 40 LYS CA C 40 58.950 58.950 58.063 0.887 19632 2786 1 9 . 1 1 40 40 LYS CB C 40 32.988 32.988 32.278 0.710 19632 2787 1 9 . 1 1 40 40 LYS H H 40 8.275 8.275 8.537 -0.262 19632 2788 1 9 . 1 1 41 41 HIS N N 41 114.012 114.012 117.311 -3.299 19632 2789 1 9 . 1 1 41 41 HIS HA H 41 4.795 4.795 4.724 0.071 19632 2790 1 9 . 1 1 41 41 HIS CA C 41 54.904 54.904 55.820 -0.916 19632 2791 1 9 . 1 1 41 41 HIS CB C 41 30.835 30.835 28.849 1.986 19632 2792 1 9 . 1 1 41 41 HIS H H 41 8.040 8.040 7.952 0.088 19632 2793 1 9 . 1 1 42 42 GLY N N 42 109.068 109.068 109.748 -0.680 19632 2794 1 9 . 1 1 42 42 GLY CA C 42 44.482 44.482 45.225 -0.743 19632 2795 1 9 . 1 1 42 42 GLY H H 42 7.966 7.966 8.460 -0.494 19632 2796 1 9 . 1 1 43 43 LYS N N 43 120.287 120.287 119.195 1.092 19632 2797 1 9 . 1 1 43 43 LYS HA H 43 4.680 4.680 4.051 0.628 19632 2798 1 9 . 1 1 43 43 LYS CA C 43 54.392 54.392 56.268 -1.876 19632 2799 1 9 . 1 1 43 43 LYS CB C 43 33.511 33.511 31.807 1.704 19632 2800 1 9 . 1 1 43 43 LYS H H 43 8.209 8.209 7.827 0.382 19632 2801 1 9 . 1 1 44 44 PRO HA H 44 5.013 5.013 4.741 0.272 19632 2802 1 9 . 1 1 44 44 PRO CA C 44 62.744 62.744 63.169 -0.425 19632 2803 1 9 . 1 1 44 44 PRO CB C 44 33.747 33.747 32.344 1.403 19632 2804 1 9 . 1 1 45 45 TYR N N 45 115.140 115.140 118.919 -3.779 19632 2805 1 9 . 1 1 45 45 TYR HA H 45 4.897 4.897 4.807 0.090 19632 2806 1 9 . 1 1 45 45 TYR CA C 45 56.387 56.387 55.055 1.332 19632 2807 1 9 . 1 1 45 45 TYR CB C 45 40.574 40.574 39.991 0.583 19632 2808 1 9 . 1 1 45 45 TYR H H 45 8.176 8.176 8.391 -0.215 19632 2809 1 9 . 1 1 46 46 PHE N N 46 115.001 115.001 119.101 -4.100 19632 2810 1 9 . 1 1 46 46 PHE HA H 46 5.662 5.662 5.193 0.469 19632 2811 1 9 . 1 1 46 46 PHE CA C 46 56.395 56.395 56.466 -0.071 19632 2812 1 9 . 1 1 46 46 PHE CB C 46 43.736 43.736 42.147 1.589 19632 2813 1 9 . 1 1 46 46 PHE H H 46 8.607 8.607 8.758 -0.151 19632 2814 1 9 . 1 1 47 47 LEU N N 47 121.747 121.747 123.279 -1.532 19632 2815 1 9 . 1 1 47 47 LEU HA H 47 5.339 5.339 5.108 0.231 19632 2816 1 9 . 1 1 47 47 LEU CA C 47 54.116 54.116 54.021 0.095 19632 2817 1 9 . 1 1 47 47 LEU CB C 47 44.357 44.357 43.516 0.841 19632 2818 1 9 . 1 1 47 47 LEU H H 47 9.631 9.631 9.030 0.601 19632 2819 1 9 . 1 1 48 48 VAL N N 48 122.850 122.850 124.777 -1.927 19632 2820 1 9 . 1 1 48 48 VAL HA H 48 4.476 4.476 4.693 -0.217 19632 2821 1 9 . 1 1 48 48 VAL CA C 48 61.559 61.559 61.429 0.130 19632 2822 1 9 . 1 1 48 48 VAL CB C 48 35.232 35.232 33.530 1.702 19632 2823 1 9 . 1 1 48 48 VAL H H 48 9.334 9.334 9.260 0.074 19632 2824 1 9 . 1 1 49 49 ARG N N 49 129.488 129.488 127.761 1.727 19632 2825 1 9 . 1 1 49 49 ARG HA H 49 3.045 3.045 4.048 -1.003 19632 2826 1 9 . 1 1 49 49 ARG CA C 49 56.623 56.623 54.799 1.824 19632 2827 1 9 . 1 1 49 49 ARG CB C 49 31.326 31.326 30.051 1.275 19632 2828 1 9 . 1 1 49 49 ARG H H 49 8.451 8.451 8.527 -0.076 19632 2829 1 9 . 1 1 50 50 ALA N N 50 131.016 131.016 129.671 1.345 19632 2830 1 9 . 1 1 50 50 ALA HA H 50 4.418 4.418 4.290 0.128 19632 2831 1 9 . 1 1 50 50 ALA CA C 50 51.502 51.502 51.816 -0.314 19632 2832 1 9 . 1 1 50 50 ALA CB C 50 20.364 20.364 19.624 0.740 19632 2833 1 9 . 1 1 50 50 ALA H H 50 8.524 8.524 8.198 0.326 19632 2834 1 9 . 1 1 51 51 ASP N N 51 112.516 112.516 119.042 -6.526 19632 2835 1 9 . 1 1 51 51 ASP HA H 51 4.413 4.413 4.495 -0.082 19632 2836 1 9 . 1 1 51 51 ASP CA C 51 54.301 54.301 54.089 0.212 19632 2837 1 9 . 1 1 51 51 ASP CB C 51 41.710 41.710 41.547 0.163 19632 2838 1 9 . 1 1 51 51 ASP H H 51 8.597 8.597 8.281 0.316 19632 2839 1 9 . 1 1 52 52 GLY N N 52 106.147 106.147 107.105 -0.958 19632 2840 1 9 . 1 1 52 52 GLY CA C 52 45.499 45.499 45.799 -0.300 19632 2841 1 9 . 1 1 52 52 GLY H H 52 8.378 8.378 8.602 -0.224 19632 2842 1 9 . 1 1 53 53 SER N N 53 115.000 115.000 111.746 3.254 19632 2843 1 9 . 1 1 53 53 SER HA H 53 4.439 4.439 4.060 0.379 19632 2844 1 9 . 1 1 53 53 SER CA C 53 60.282 60.282 59.234 1.048 19632 2845 1 9 . 1 1 53 53 SER CB C 53 64.175 64.175 62.515 1.660 19632 2846 1 9 . 1 1 53 53 SER H H 53 8.677 8.677 8.338 0.339 19632 2847 1 9 . 1 1 54 54 ASP N N 54 119.220 119.220 119.804 -0.584 19632 2848 1 9 . 1 1 54 54 ASP HA H 54 4.595 4.595 4.400 0.195 19632 2849 1 9 . 1 1 54 54 ASP CA C 54 55.689 55.689 56.305 -0.616 19632 2850 1 9 . 1 1 54 54 ASP CB C 54 41.326 41.326 41.576 -0.250 19632 2851 1 9 . 1 1 54 54 ASP H H 54 8.364 8.364 7.813 0.551 19632 2852 1 9 . 1 1 55 55 GLY N N 55 107.460 107.460 104.726 2.734 19632 2853 1 9 . 1 1 55 55 GLY CA C 55 47.210 47.210 44.630 2.580 19632 2854 1 9 . 1 1 55 55 GLY H H 55 7.801 7.801 8.357 -0.556 19632 2855 1 9 . 1 1 56 56 ASN N N 56 116.076 116.076 121.603 -5.527 19632 2856 1 9 . 1 1 56 56 ASN HA H 56 4.997 4.997 4.854 0.143 19632 2857 1 9 . 1 1 56 56 ASN CA C 56 53.235 53.235 55.217 -1.982 19632 2858 1 9 . 1 1 56 56 ASN CB C 56 41.540 41.540 39.782 1.758 19632 2859 1 9 . 1 1 56 56 ASN H H 56 7.919 7.919 8.713 -0.794 19632 2860 1 9 . 1 1 57 57 PHE N N 57 118.405 118.405 117.388 1.017 19632 2861 1 9 . 1 1 57 57 PHE HA H 57 5.043 5.043 5.338 -0.295 19632 2862 1 9 . 1 1 57 57 PHE CA C 57 56.786 56.786 57.104 -0.318 19632 2863 1 9 . 1 1 57 57 PHE CB C 57 44.374 44.374 42.740 1.634 19632 2864 1 9 . 1 1 57 57 PHE H H 57 9.203 9.203 8.010 1.193 19632 2865 1 9 . 1 1 58 58 ILE N N 58 118.503 118.503 120.192 -1.689 19632 2866 1 9 . 1 1 58 58 ILE HA H 58 4.507 4.507 4.836 -0.329 19632 2867 1 9 . 1 1 58 58 ILE CA C 58 60.493 60.493 58.688 1.806 19632 2868 1 9 . 1 1 58 58 ILE CB C 58 42.447 42.447 38.551 3.896 19632 2869 1 9 . 1 1 58 58 ILE H H 58 9.222 9.222 9.392 -0.170 19632 2870 1 9 . 1 1 59 59 ARG N N 59 126.283 126.283 127.480 -1.197 19632 2871 1 9 . 1 1 59 59 ARG HA H 59 5.111 5.111 5.305 -0.194 19632 2872 1 9 . 1 1 59 59 ARG CA C 59 55.839 55.839 55.713 0.126 19632 2873 1 9 . 1 1 59 59 ARG CB C 59 32.157 32.157 32.293 -0.136 19632 2874 1 9 . 1 1 59 59 ARG H H 59 9.298 9.298 8.861 0.437 19632 2875 1 9 . 1 1 60 60 SER N N 60 119.913 119.913 120.951 -1.038 19632 2876 1 9 . 1 1 60 60 SER HA H 60 3.887 3.887 4.280 -0.393 19632 2877 1 9 . 1 1 60 60 SER CA C 60 62.373 62.373 61.507 0.866 19632 2878 1 9 . 1 1 60 60 SER CB C 60 62.777 62.777 63.228 -0.451 19632 2879 1 9 . 1 1 60 60 SER H H 60 9.698 9.698 8.901 0.797 19632 2880 1 9 . 1 1 61 61 ASP N N 61 117.504 117.504 120.258 -2.754 19632 2881 1 9 . 1 1 61 61 ASP HA H 61 4.764 4.764 4.539 0.225 19632 2882 1 9 . 1 1 61 61 ASP CA C 61 53.789 53.789 56.377 -2.588 19632 2883 1 9 . 1 1 61 61 ASP CB C 61 40.082 40.082 41.071 -0.989 19632 2884 1 9 . 1 1 61 61 ASP H H 61 8.769 8.769 8.601 0.168 19632 2885 1 9 . 1 1 62 62 GLN N N 62 118.595 118.595 116.949 1.646 19632 2886 1 9 . 1 1 62 62 GLN HA H 62 4.779 4.779 4.770 0.009 19632 2887 1 9 . 1 1 62 62 GLN CA C 62 54.066 54.066 53.773 0.293 19632 2888 1 9 . 1 1 62 62 GLN CB C 62 30.309 30.309 29.762 0.547 19632 2889 1 9 . 1 1 62 62 GLN H H 62 7.467 7.467 7.557 -0.090 19632 2890 1 9 . 1 1 63 63 PRO HA H 63 4.662 4.662 4.576 0.086 19632 2891 1 9 . 1 1 63 63 PRO CB C 63 32.293 32.293 31.873 0.420 19632 2892 1 9 . 1 1 64 64 ASP N N 64 116.697 116.697 117.423 -0.726 19632 2893 1 9 . 1 1 64 64 ASP HA H 64 4.662 4.662 4.742 -0.080 19632 2894 1 9 . 1 1 64 64 ASP CA C 64 54.449 54.449 53.560 0.889 19632 2895 1 9 . 1 1 64 64 ASP CB C 64 41.201 41.201 41.460 -0.259 19632 2896 1 9 . 1 1 64 64 ASP H H 64 8.389 8.389 8.271 0.118 19632 2897 1 9 . 1 1 65 65 LYS N N 65 119.781 119.781 119.780 0.001 19632 2898 1 9 . 1 1 65 65 LYS HA H 65 4.547 4.547 4.704 -0.157 19632 2899 1 9 . 1 1 65 65 LYS CA C 65 55.469 55.469 54.178 1.292 19632 2900 1 9 . 1 1 65 65 LYS CB C 65 34.796 34.796 35.391 -0.595 19632 2901 1 9 . 1 1 65 65 LYS H H 65 7.592 7.592 7.756 -0.164 19632 2902 1 9 . 1 1 66 66 LEU N N 66 125.131 125.131 123.522 1.609 19632 2903 1 9 . 1 1 66 66 LEU HA H 66 4.708 4.708 4.492 0.216 19632 2904 1 9 . 1 1 66 66 LEU CA C 66 54.496 54.496 54.229 0.267 19632 2905 1 9 . 1 1 66 66 LEU CB C 66 44.010 44.010 42.399 1.611 19632 2906 1 9 . 1 1 66 66 LEU H H 66 8.300 8.300 8.510 -0.210 19632 2907 1 9 . 1 1 67 67 ILE N N 67 124.524 124.524 126.492 -1.968 19632 2908 1 9 . 1 1 67 67 ILE HA H 67 4.447 4.447 4.335 0.112 19632 2909 1 9 . 1 1 67 67 ILE CA C 67 57.824 57.824 57.980 -0.156 19632 2910 1 9 . 1 1 67 67 ILE CB C 67 40.744 40.744 37.294 3.450 19632 2911 1 9 . 1 1 67 67 ILE H H 67 9.427 9.427 8.967 0.460 19632 2912 1 9 . 1 1 68 68 PRO HA H 68 4.649 4.649 4.679 -0.030 19632 2913 1 9 . 1 1 68 68 PRO CB C 68 32.644 32.644 32.216 0.428 19632 2914 1 9 . 1 1 69 69 GLN N N 69 119.126 119.126 118.703 0.423 19632 2915 1 9 . 1 1 69 69 GLN HA H 69 3.730 3.730 4.227 -0.497 19632 2916 1 9 . 1 1 69 69 GLN CA C 69 59.447 59.447 59.572 -0.125 19632 2917 1 9 . 1 1 69 69 GLN CB C 69 28.819 28.819 28.577 0.242 19632 2918 1 9 . 1 1 69 69 GLN H H 69 8.386 8.386 8.453 -0.067 19632 2919 1 9 . 1 1 70 70 TRP N N 70 112.076 112.076 115.931 -3.855 19632 2920 1 9 . 1 1 70 70 TRP HA H 70 4.525 4.525 4.526 -0.001 19632 2921 1 9 . 1 1 70 70 TRP CA C 70 58.197 58.197 58.445 -0.248 19632 2922 1 9 . 1 1 70 70 TRP CB C 70 28.016 28.016 28.271 -0.255 19632 2923 1 9 . 1 1 70 70 TRP H H 70 6.972 6.972 7.892 -0.920 19632 2924 1 9 . 1 1 71 71 GLU N N 71 119.388 119.388 119.060 0.328 19632 2925 1 9 . 1 1 71 71 GLU HA H 71 4.249 4.249 4.447 -0.198 19632 2926 1 9 . 1 1 71 71 GLU CA C 71 56.654 56.654 57.469 -0.815 19632 2927 1 9 . 1 1 71 71 GLU CB C 71 30.938 30.938 30.055 0.883 19632 2928 1 9 . 1 1 71 71 GLU H H 71 7.386 7.386 7.308 0.078 19632 2929 1 9 . 1 1 72 72 ILE N N 72 115.759 115.759 115.877 -0.118 19632 2930 1 9 . 1 1 72 72 ILE HA H 72 3.324 3.324 4.046 -0.722 19632 2931 1 9 . 1 1 72 72 ILE CA C 72 64.205 64.205 63.786 0.419 19632 2932 1 9 . 1 1 72 72 ILE CB C 72 38.012 38.012 38.046 -0.034 19632 2933 1 9 . 1 1 72 72 ILE H H 72 6.754 6.754 7.606 -0.852 19632 2934 1 9 . 1 1 73 73 PHE N N 73 115.942 115.942 117.232 -1.290 19632 2935 1 9 . 1 1 73 73 PHE HA H 73 4.248 4.248 4.293 -0.045 19632 2936 1 9 . 1 1 73 73 PHE CA C 73 56.514 56.514 57.725 -1.211 19632 2937 1 9 . 1 1 73 73 PHE CB C 73 38.479 38.479 38.807 -0.328 19632 2938 1 9 . 1 1 73 73 PHE H H 73 7.388 7.388 8.006 -0.618 19632 2939 1 9 . 1 1 74 74 SER N N 74 114.787 114.787 115.253 -0.466 19632 2940 1 9 . 1 1 74 74 SER HA H 74 4.358 4.358 4.352 0.006 19632 2941 1 9 . 1 1 74 74 SER CA C 74 58.265 58.265 59.922 -1.657 19632 2942 1 9 . 1 1 74 74 SER CB C 74 63.783 63.783 63.915 -0.132 19632 2943 1 9 . 1 1 74 74 SER H H 74 7.203 7.203 7.502 -0.298 19632 2944 1 10 . 1 1 2 2 ALA HA H 2 4.290 4.290 4.533 -0.243 19632 2945 1 10 . 1 1 2 2 ALA CA C 2 53.589 53.589 52.091 1.498 19632 2946 1 10 . 1 1 2 2 ALA CB C 2 19.556 19.556 17.838 1.718 19632 2947 1 10 . 1 1 5 5 ASP N N 5 116.992 116.992 120.101 -3.109 19632 2948 1 10 . 1 1 5 5 ASP HA H 5 4.622 4.622 4.655 -0.033 19632 2949 1 10 . 1 1 5 5 ASP CA C 5 54.508 54.508 53.563 0.945 19632 2950 1 10 . 1 1 5 5 ASP CB C 5 41.375 41.375 41.264 0.111 19632 2951 1 10 . 1 1 5 5 ASP H H 5 8.372 8.372 8.162 0.210 19632 2952 1 10 . 1 1 6 6 ALA N N 6 124.275 124.275 129.859 -5.584 19632 2953 1 10 . 1 1 6 6 ALA HA H 6 4.582 4.582 4.616 -0.034 19632 2954 1 10 . 1 1 6 6 ALA CA C 6 48.068 48.068 49.933 -1.865 19632 2955 1 10 . 1 1 6 6 ALA CB C 6 18.765 18.765 18.756 0.009 19632 2956 1 10 . 1 1 6 6 ALA H H 6 7.984 7.984 8.321 -0.337 19632 2957 1 10 . 1 1 7 7 PRO HA H 7 4.486 4.486 4.534 -0.048 19632 2958 1 10 . 1 1 7 7 PRO CA C 7 63.406 63.406 62.241 1.165 19632 2959 1 10 . 1 1 7 7 PRO CB C 7 32.491 32.491 32.421 0.070 19632 2960 1 10 . 1 1 8 8 SER N N 8 115.947 115.947 116.069 -0.122 19632 2961 1 10 . 1 1 8 8 SER HA H 8 4.483 4.483 4.399 0.084 19632 2962 1 10 . 1 1 8 8 SER CA C 8 58.635 58.635 58.952 -0.317 19632 2963 1 10 . 1 1 8 8 SER CB C 8 64.447 64.447 62.776 1.671 19632 2964 1 10 . 1 1 8 8 SER H H 8 8.424 8.424 8.408 0.016 19632 2965 1 10 . 1 1 9 9 GLY N N 9 109.902 109.902 113.686 -3.784 19632 2966 1 10 . 1 1 9 9 GLY CA C 9 45.804 45.804 45.095 0.709 19632 2967 1 10 . 1 1 9 9 GLY H H 9 8.352 8.352 8.340 0.012 19632 2968 1 10 . 1 1 10 10 GLU N N 10 119.364 119.364 122.348 -2.984 19632 2969 1 10 . 1 1 10 10 GLU HA H 10 4.808 4.808 4.661 0.147 19632 2970 1 10 . 1 1 10 10 GLU CA C 10 53.481 53.481 52.807 0.673 19632 2971 1 10 . 1 1 10 10 GLU CB C 10 30.956 30.956 31.129 -0.173 19632 2972 1 10 . 1 1 10 10 GLU H H 10 8.071 8.071 8.228 -0.157 19632 2973 1 10 . 1 1 11 11 PRO HA H 11 5.012 5.012 4.818 0.194 19632 2974 1 10 . 1 1 11 11 PRO CA C 11 63.350 63.350 62.626 0.724 19632 2975 1 10 . 1 1 11 11 PRO CB C 11 34.176 34.176 31.467 2.709 19632 2976 1 10 . 1 1 12 12 ASP N N 12 122.007 122.007 123.877 -1.870 19632 2977 1 10 . 1 1 12 12 ASP HA H 12 5.030 5.030 4.657 0.373 19632 2978 1 10 . 1 1 12 12 ASP CA C 12 53.249 53.249 53.691 -0.442 19632 2979 1 10 . 1 1 12 12 ASP CB C 12 45.006 45.006 42.910 2.096 19632 2980 1 10 . 1 1 12 12 ASP H H 12 9.396 9.396 8.299 1.097 19632 2981 1 10 . 1 1 13 13 VAL N N 13 120.517 120.517 122.583 -2.066 19632 2982 1 10 . 1 1 13 13 VAL HA H 13 5.090 5.090 4.564 0.526 19632 2983 1 10 . 1 1 13 13 VAL CA C 13 59.653 59.653 60.299 -0.646 19632 2984 1 10 . 1 1 13 13 VAL CB C 13 35.347 35.347 34.407 0.940 19632 2985 1 10 . 1 1 13 13 VAL H H 13 8.402 8.402 8.248 0.154 19632 2986 1 10 . 1 1 14 14 THR N N 14 122.388 122.388 126.305 -3.917 19632 2987 1 10 . 1 1 14 14 THR HA H 14 4.465 4.465 4.374 0.091 19632 2988 1 10 . 1 1 14 14 THR CA C 14 61.591 61.591 62.142 -0.551 19632 2989 1 10 . 1 1 14 14 THR CB C 14 71.537 71.537 68.373 3.164 19632 2990 1 10 . 1 1 14 14 THR H H 14 8.397 8.397 8.912 -0.515 19632 2991 1 10 . 1 1 15 15 ILE N N 15 125.929 125.929 128.807 -2.878 19632 2992 1 10 . 1 1 15 15 ILE HA H 15 4.882 4.882 4.151 0.731 19632 2993 1 10 . 1 1 15 15 ILE CA C 15 60.655 60.655 61.342 -0.687 19632 2994 1 10 . 1 1 15 15 ILE CB C 15 40.004 40.004 37.400 2.604 19632 2995 1 10 . 1 1 15 15 ILE H H 15 8.628 8.628 8.563 0.065 19632 2996 1 10 . 1 1 16 16 ARG N N 16 125.332 125.332 128.646 -3.314 19632 2997 1 10 . 1 1 16 16 ARG HA H 16 4.662 4.662 4.732 -0.070 19632 2998 1 10 . 1 1 16 16 ARG CA C 16 54.731 54.731 53.810 0.920 19632 2999 1 10 . 1 1 16 16 ARG CB C 16 33.731 33.731 33.919 -0.188 19632 3000 1 10 . 1 1 16 16 ARG H H 16 9.057 9.057 8.636 0.421 19632 3001 1 10 . 1 1 17 17 GLN N N 17 121.044 121.044 118.767 2.277 19632 3002 1 10 . 1 1 17 17 GLN HA H 17 4.803 4.803 4.789 0.014 19632 3003 1 10 . 1 1 17 17 GLN CA C 17 55.241 55.241 55.223 0.018 19632 3004 1 10 . 1 1 17 17 GLN CB C 17 30.461 30.461 31.850 -1.389 19632 3005 1 10 . 1 1 17 17 GLN H H 17 8.508 8.508 8.485 0.023 19632 3006 1 10 . 1 1 18 18 GLU N N 18 125.409 125.409 125.869 -0.460 19632 3007 1 10 . 1 1 18 18 GLU HA H 18 4.529 4.529 4.517 0.012 19632 3008 1 10 . 1 1 18 18 GLU CA C 18 55.018 55.018 54.674 0.344 19632 3009 1 10 . 1 1 18 18 GLU CB C 18 31.654 31.654 29.386 2.268 19632 3010 1 10 . 1 1 18 18 GLU H H 18 8.394 8.394 8.657 -0.263 19632 3011 1 10 . 1 1 19 19 GLY N N 19 114.286 114.286 115.940 -1.654 19632 3012 1 10 . 1 1 19 19 GLY CA C 19 47.887 47.887 46.588 1.299 19632 3013 1 10 . 1 1 19 19 GLY H H 19 8.804 8.804 8.411 0.393 19632 3014 1 10 . 1 1 20 20 ASP N N 20 124.137 124.137 124.795 -0.658 19632 3015 1 10 . 1 1 20 20 ASP HA H 20 4.536 4.536 4.788 -0.252 19632 3016 1 10 . 1 1 20 20 ASP CA C 20 54.019 54.019 53.946 0.073 19632 3017 1 10 . 1 1 20 20 ASP CB C 20 41.053 41.053 41.630 -0.577 19632 3018 1 10 . 1 1 20 20 ASP H H 20 8.519 8.519 8.286 0.233 19632 3019 1 10 . 1 1 21 21 LYS N N 21 116.711 116.711 119.929 -3.218 19632 3020 1 10 . 1 1 21 21 LYS HA H 21 4.648 4.648 4.861 -0.213 19632 3021 1 10 . 1 1 21 21 LYS CA C 21 55.468 55.468 54.519 0.949 19632 3022 1 10 . 1 1 21 21 LYS CB C 21 34.941 34.941 33.032 1.909 19632 3023 1 10 . 1 1 21 21 LYS H H 21 7.696 7.696 7.373 0.323 19632 3024 1 10 . 1 1 22 22 THR N N 22 118.655 118.655 123.521 -4.866 19632 3025 1 10 . 1 1 22 22 THR HA H 22 4.541 4.541 4.450 0.091 19632 3026 1 10 . 1 1 22 22 THR CA C 22 62.936 62.936 63.110 -0.174 19632 3027 1 10 . 1 1 22 22 THR CB C 22 70.275 70.275 68.728 1.546 19632 3028 1 10 . 1 1 22 22 THR H H 22 7.994 7.994 8.747 -0.753 19632 3029 1 10 . 1 1 23 23 ILE N N 23 126.114 126.114 129.514 -3.400 19632 3030 1 10 . 1 1 23 23 ILE HA H 23 4.699 4.699 4.043 0.656 19632 3031 1 10 . 1 1 23 23 ILE CA C 23 59.119 59.119 60.750 -1.631 19632 3032 1 10 . 1 1 23 23 ILE CB C 23 40.729 40.729 37.313 3.416 19632 3033 1 10 . 1 1 23 23 ILE H H 23 8.957 8.957 8.668 0.289 19632 3034 1 10 . 1 1 24 24 GLN N N 24 123.560 123.560 128.253 -4.693 19632 3035 1 10 . 1 1 24 24 GLN HA H 24 5.121 5.121 4.510 0.611 19632 3036 1 10 . 1 1 24 24 GLN CA C 24 53.653 53.653 54.758 -1.105 19632 3037 1 10 . 1 1 24 24 GLN CB C 24 30.573 30.573 29.019 1.554 19632 3038 1 10 . 1 1 24 24 GLN H H 24 8.932 8.932 8.829 0.103 19632 3039 1 10 . 1 1 25 25 GLU N N 25 122.651 122.651 125.279 -2.628 19632 3040 1 10 . 1 1 25 25 GLU HA H 25 4.462 4.462 4.508 -0.046 19632 3041 1 10 . 1 1 25 25 GLU CA C 25 55.548 55.548 55.218 0.330 19632 3042 1 10 . 1 1 25 25 GLU CB C 25 32.644 32.644 30.226 2.418 19632 3043 1 10 . 1 1 25 25 GLU H H 25 8.987 8.987 8.912 0.075 19632 3044 1 10 . 1 1 26 26 TYR N N 26 124.044 124.044 126.539 -2.495 19632 3045 1 10 . 1 1 26 26 TYR HA H 26 4.756 4.756 4.596 0.160 19632 3046 1 10 . 1 1 26 26 TYR CA C 26 58.317 58.317 58.975 -0.658 19632 3047 1 10 . 1 1 26 26 TYR CB C 26 38.543 38.543 37.617 0.926 19632 3048 1 10 . 1 1 26 26 TYR H H 26 8.930 8.930 9.161 -0.231 19632 3049 1 10 . 1 1 27 27 ARG N N 27 119.739 119.739 124.142 -4.403 19632 3050 1 10 . 1 1 27 27 ARG HA H 27 5.657 5.657 5.470 0.187 19632 3051 1 10 . 1 1 27 27 ARG CA C 27 53.860 53.860 54.628 -0.768 19632 3052 1 10 . 1 1 27 27 ARG CB C 27 36.310 36.310 33.512 2.798 19632 3053 1 10 . 1 1 27 27 ARG H H 27 8.496 8.496 9.189 -0.693 19632 3054 1 10 . 1 1 28 28 VAL N N 28 115.698 115.698 122.488 -6.790 19632 3055 1 10 . 1 1 28 28 VAL HA H 28 4.526 4.526 4.453 0.073 19632 3056 1 10 . 1 1 28 28 VAL CA C 28 60.002 60.002 62.203 -2.201 19632 3057 1 10 . 1 1 28 28 VAL CB C 28 34.889 34.889 33.364 1.526 19632 3058 1 10 . 1 1 28 28 VAL H H 28 8.716 8.716 8.501 0.215 19632 3059 1 10 . 1 1 29 29 ASN N N 29 128.827 128.827 117.625 11.202 19632 3060 1 10 . 1 1 29 29 ASN HA H 29 4.309 4.309 4.803 -0.494 19632 3061 1 10 . 1 1 29 29 ASN CA C 29 54.385 54.385 54.045 0.340 19632 3062 1 10 . 1 1 29 29 ASN CB C 29 38.270 38.270 38.723 -0.453 19632 3063 1 10 . 1 1 29 29 ASN H H 29 9.605 9.605 8.175 1.430 19632 3064 1 10 . 1 1 30 30 GLY N N 30 103.111 103.111 109.096 -5.985 19632 3065 1 10 . 1 1 30 30 GLY CA C 30 45.901 45.901 45.244 0.657 19632 3066 1 10 . 1 1 30 30 GLY H H 30 8.784 8.784 8.427 0.357 19632 3067 1 10 . 1 1 31 31 PHE N N 31 123.693 123.693 122.667 1.026 19632 3068 1 10 . 1 1 31 31 PHE HA H 31 4.529 4.529 4.752 -0.223 19632 3069 1 10 . 1 1 31 31 PHE CA C 31 57.924 57.924 56.861 1.063 19632 3070 1 10 . 1 1 31 31 PHE CB C 31 40.207 40.207 40.878 -0.671 19632 3071 1 10 . 1 1 31 31 PHE H H 31 8.191 8.191 7.787 0.404 19632 3072 1 10 . 1 1 32 32 LEU N N 32 130.348 130.348 129.198 1.150 19632 3073 1 10 . 1 1 32 32 LEU HA H 32 4.427 4.427 4.482 -0.055 19632 3074 1 10 . 1 1 32 32 LEU CA C 32 55.517 55.517 53.810 1.707 19632 3075 1 10 . 1 1 32 32 LEU CB C 32 42.468 42.468 42.132 0.336 19632 3076 1 10 . 1 1 32 32 LEU H H 32 8.171 8.171 8.240 -0.069 19632 3077 1 10 . 1 1 33 33 TYR N N 33 124.923 124.923 121.355 3.568 19632 3078 1 10 . 1 1 33 33 TYR HA H 33 4.557 4.557 4.806 -0.249 19632 3079 1 10 . 1 1 33 33 TYR CA C 33 56.404 56.404 55.779 0.625 19632 3080 1 10 . 1 1 33 33 TYR CB C 33 39.131 39.131 39.743 -0.612 19632 3081 1 10 . 1 1 33 33 TYR H H 33 8.415 8.415 8.644 -0.229 19632 3082 1 10 . 1 1 34 34 ALA N N 34 120.211 120.211 121.047 -0.836 19632 3083 1 10 . 1 1 34 34 ALA HA H 34 5.528 5.528 5.152 0.376 19632 3084 1 10 . 1 1 34 34 ALA CA C 34 52.196 52.196 52.082 0.114 19632 3085 1 10 . 1 1 34 34 ALA CB C 34 22.633 22.633 21.666 0.967 19632 3086 1 10 . 1 1 34 34 ALA H H 34 7.399 7.399 7.185 0.214 19632 3087 1 10 . 1 1 35 35 ILE N N 35 118.197 118.197 122.901 -4.704 19632 3088 1 10 . 1 1 35 35 ILE HA H 35 5.157 5.157 5.024 0.133 19632 3089 1 10 . 1 1 35 35 ILE CA C 35 60.000 60.000 60.108 -0.108 19632 3090 1 10 . 1 1 35 35 ILE CB C 35 43.639 43.639 41.545 2.094 19632 3091 1 10 . 1 1 35 35 ILE H H 35 9.224 9.224 8.977 0.247 19632 3092 1 10 . 1 1 36 36 LYS N N 36 127.872 127.872 128.793 -0.921 19632 3093 1 10 . 1 1 36 36 LYS HA H 36 4.204 4.204 4.662 -0.458 19632 3094 1 10 . 1 1 36 36 LYS CA C 36 55.245 55.245 54.481 0.764 19632 3095 1 10 . 1 1 36 36 LYS CB C 36 36.092 36.092 33.948 2.144 19632 3096 1 10 . 1 1 36 36 LYS H H 36 9.708 9.708 8.919 0.789 19632 3097 1 10 . 1 1 37 37 VAL N N 37 128.005 128.005 127.778 0.227 19632 3098 1 10 . 1 1 37 37 VAL HA H 37 4.043 4.043 4.020 0.023 19632 3099 1 10 . 1 1 37 37 VAL CA C 37 61.840 61.840 61.761 0.079 19632 3100 1 10 . 1 1 37 37 VAL CB C 37 32.523 32.523 32.087 0.436 19632 3101 1 10 . 1 1 37 37 VAL H H 37 8.551 8.551 8.014 0.537 19632 3102 1 10 . 1 1 38 38 VAL N N 38 125.034 125.034 126.385 -1.351 19632 3103 1 10 . 1 1 38 38 VAL HA H 38 4.277 4.277 4.350 -0.073 19632 3104 1 10 . 1 1 38 38 VAL CA C 38 59.287 59.287 58.282 1.005 19632 3105 1 10 . 1 1 38 38 VAL CB C 38 32.568 32.568 31.222 1.346 19632 3106 1 10 . 1 1 38 38 VAL H H 38 8.668 8.668 8.894 -0.226 19632 3107 1 10 . 1 1 39 39 PRO HA H 39 4.565 4.565 4.901 -0.336 19632 3108 1 10 . 1 1 39 39 PRO CA C 39 62.202 62.202 61.956 0.246 19632 3109 1 10 . 1 1 39 39 PRO CB C 39 32.887 32.887 32.376 0.511 19632 3110 1 10 . 1 1 40 40 LYS N N 40 121.622 121.622 122.782 -1.160 19632 3111 1 10 . 1 1 40 40 LYS HA H 40 3.877 3.877 3.869 0.008 19632 3112 1 10 . 1 1 40 40 LYS CA C 40 58.950 58.950 58.424 0.526 19632 3113 1 10 . 1 1 40 40 LYS CB C 40 32.988 32.988 32.345 0.643 19632 3114 1 10 . 1 1 40 40 LYS H H 40 8.275 8.275 8.494 -0.219 19632 3115 1 10 . 1 1 41 41 HIS N N 41 114.012 114.012 117.320 -3.308 19632 3116 1 10 . 1 1 41 41 HIS HA H 41 4.795 4.795 4.665 0.130 19632 3117 1 10 . 1 1 41 41 HIS CA C 41 54.904 54.904 55.333 -0.429 19632 3118 1 10 . 1 1 41 41 HIS CB C 41 30.835 30.835 29.474 1.361 19632 3119 1 10 . 1 1 41 41 HIS H H 41 8.040 8.040 7.879 0.161 19632 3120 1 10 . 1 1 42 42 GLY N N 42 109.068 109.068 111.208 -2.140 19632 3121 1 10 . 1 1 42 42 GLY CA C 42 44.482 44.482 44.661 -0.179 19632 3122 1 10 . 1 1 42 42 GLY H H 42 7.966 7.966 8.579 -0.613 19632 3123 1 10 . 1 1 43 43 LYS N N 43 120.287 120.287 119.288 0.999 19632 3124 1 10 . 1 1 43 43 LYS HA H 43 4.680 4.680 4.036 0.644 19632 3125 1 10 . 1 1 43 43 LYS CA C 43 54.392 54.392 56.280 -1.888 19632 3126 1 10 . 1 1 43 43 LYS CB C 43 33.511 33.511 31.893 1.618 19632 3127 1 10 . 1 1 43 43 LYS H H 43 8.209 8.209 7.681 0.528 19632 3128 1 10 . 1 1 44 44 PRO HA H 44 5.013 5.013 4.928 0.085 19632 3129 1 10 . 1 1 44 44 PRO CA C 44 62.744 62.744 62.869 -0.125 19632 3130 1 10 . 1 1 44 44 PRO CB C 44 33.747 33.747 32.104 1.643 19632 3131 1 10 . 1 1 45 45 TYR N N 45 115.140 115.140 117.504 -2.364 19632 3132 1 10 . 1 1 45 45 TYR HA H 45 4.897 4.897 4.717 0.180 19632 3133 1 10 . 1 1 45 45 TYR CA C 45 56.387 56.387 56.223 0.164 19632 3134 1 10 . 1 1 45 45 TYR CB C 45 40.574 40.574 40.107 0.467 19632 3135 1 10 . 1 1 45 45 TYR H H 45 8.176 8.176 8.201 -0.025 19632 3136 1 10 . 1 1 46 46 PHE N N 46 115.001 115.001 118.315 -3.314 19632 3137 1 10 . 1 1 46 46 PHE HA H 46 5.662 5.662 5.205 0.457 19632 3138 1 10 . 1 1 46 46 PHE CA C 46 56.395 56.395 56.536 -0.141 19632 3139 1 10 . 1 1 46 46 PHE CB C 46 43.736 43.736 42.022 1.714 19632 3140 1 10 . 1 1 46 46 PHE H H 46 8.607 8.607 9.318 -0.711 19632 3141 1 10 . 1 1 47 47 LEU N N 47 121.747 121.747 125.583 -3.836 19632 3142 1 10 . 1 1 47 47 LEU HA H 47 5.339 5.339 5.249 0.090 19632 3143 1 10 . 1 1 47 47 LEU CA C 47 54.116 54.116 53.926 0.190 19632 3144 1 10 . 1 1 47 47 LEU CB C 47 44.357 44.357 44.388 -0.031 19632 3145 1 10 . 1 1 47 47 LEU H H 47 9.631 9.631 9.204 0.427 19632 3146 1 10 . 1 1 48 48 VAL N N 48 122.850 122.850 126.920 -4.070 19632 3147 1 10 . 1 1 48 48 VAL HA H 48 4.476 4.476 4.468 0.008 19632 3148 1 10 . 1 1 48 48 VAL CA C 48 61.559 61.559 61.347 0.211 19632 3149 1 10 . 1 1 48 48 VAL CB C 48 35.232 35.232 33.746 1.486 19632 3150 1 10 . 1 1 48 48 VAL H H 48 9.334 9.334 9.369 -0.035 19632 3151 1 10 . 1 1 49 49 ARG N N 49 129.488 129.488 127.147 2.341 19632 3152 1 10 . 1 1 49 49 ARG HA H 49 3.045 3.045 3.877 -0.832 19632 3153 1 10 . 1 1 49 49 ARG CA C 49 56.623 56.623 55.622 1.001 19632 3154 1 10 . 1 1 49 49 ARG CB C 49 31.326 31.326 29.117 2.209 19632 3155 1 10 . 1 1 49 49 ARG H H 49 8.451 8.451 8.563 -0.112 19632 3156 1 10 . 1 1 50 50 ALA N N 50 131.016 131.016 128.906 2.110 19632 3157 1 10 . 1 1 50 50 ALA HA H 50 4.418 4.418 4.375 0.043 19632 3158 1 10 . 1 1 50 50 ALA CA C 50 51.502 51.502 51.242 0.260 19632 3159 1 10 . 1 1 50 50 ALA CB C 50 20.364 20.364 20.097 0.267 19632 3160 1 10 . 1 1 50 50 ALA H H 50 8.524 8.524 7.915 0.609 19632 3161 1 10 . 1 1 51 51 ASP N N 51 112.516 112.516 118.712 -6.196 19632 3162 1 10 . 1 1 51 51 ASP HA H 51 4.413 4.413 4.393 0.020 19632 3163 1 10 . 1 1 51 51 ASP CA C 51 54.301 54.301 54.625 -0.324 19632 3164 1 10 . 1 1 51 51 ASP CB C 51 41.710 41.710 40.617 1.093 19632 3165 1 10 . 1 1 51 51 ASP H H 51 8.597 8.597 8.251 0.346 19632 3166 1 10 . 1 1 52 52 GLY N N 52 106.147 106.147 110.965 -4.818 19632 3167 1 10 . 1 1 52 52 GLY CA C 52 45.499 45.499 44.340 1.159 19632 3168 1 10 . 1 1 52 52 GLY H H 52 8.378 8.378 8.198 0.180 19632 3169 1 10 . 1 1 53 53 SER N N 53 115.000 115.000 117.357 -2.357 19632 3170 1 10 . 1 1 53 53 SER HA H 53 4.439 4.439 4.541 -0.102 19632 3171 1 10 . 1 1 53 53 SER CA C 53 60.282 60.282 58.109 2.173 19632 3172 1 10 . 1 1 53 53 SER CB C 53 64.175 64.175 63.265 0.910 19632 3173 1 10 . 1 1 53 53 SER H H 53 8.677 8.677 8.553 0.124 19632 3174 1 10 . 1 1 54 54 ASP N N 54 119.220 119.220 121.005 -1.785 19632 3175 1 10 . 1 1 54 54 ASP HA H 54 4.595 4.595 4.504 0.091 19632 3176 1 10 . 1 1 54 54 ASP CA C 54 55.689 55.689 55.398 0.291 19632 3177 1 10 . 1 1 54 54 ASP CB C 54 41.326 41.326 41.061 0.265 19632 3178 1 10 . 1 1 54 54 ASP H H 54 8.364 8.364 8.053 0.311 19632 3179 1 10 . 1 1 55 55 GLY N N 55 107.460 107.460 107.980 -0.520 19632 3180 1 10 . 1 1 55 55 GLY CA C 55 47.210 47.210 44.517 2.693 19632 3181 1 10 . 1 1 55 55 GLY H H 55 7.801 7.801 8.414 -0.613 19632 3182 1 10 . 1 1 56 56 ASN N N 56 116.076 116.076 118.566 -2.490 19632 3183 1 10 . 1 1 56 56 ASN HA H 56 4.997 4.997 5.517 -0.520 19632 3184 1 10 . 1 1 56 56 ASN CA C 56 53.235 53.235 52.173 1.062 19632 3185 1 10 . 1 1 56 56 ASN CB C 56 41.540 41.540 40.590 0.950 19632 3186 1 10 . 1 1 56 56 ASN H H 56 7.919 7.919 7.742 0.176 19632 3187 1 10 . 1 1 57 57 PHE N N 57 118.405 118.405 122.669 -4.264 19632 3188 1 10 . 1 1 57 57 PHE HA H 57 5.043 5.043 5.276 -0.233 19632 3189 1 10 . 1 1 57 57 PHE CA C 57 56.786 56.786 56.510 0.276 19632 3190 1 10 . 1 1 57 57 PHE CB C 57 44.374 44.374 44.178 0.196 19632 3191 1 10 . 1 1 57 57 PHE H H 57 9.203 9.203 9.177 0.026 19632 3192 1 10 . 1 1 58 58 ILE N N 58 118.503 118.503 119.207 -0.704 19632 3193 1 10 . 1 1 58 58 ILE HA H 58 4.507 4.507 4.588 -0.081 19632 3194 1 10 . 1 1 58 58 ILE CA C 58 60.493 60.493 59.036 1.457 19632 3195 1 10 . 1 1 58 58 ILE CB C 58 42.447 42.447 39.936 2.511 19632 3196 1 10 . 1 1 58 58 ILE H H 58 9.222 9.222 9.236 -0.014 19632 3197 1 10 . 1 1 59 59 ARG N N 59 126.283 126.283 128.028 -1.745 19632 3198 1 10 . 1 1 59 59 ARG HA H 59 5.111 5.111 5.164 -0.053 19632 3199 1 10 . 1 1 59 59 ARG CA C 59 55.839 55.839 55.344 0.495 19632 3200 1 10 . 1 1 59 59 ARG CB C 59 32.157 32.157 32.013 0.145 19632 3201 1 10 . 1 1 59 59 ARG H H 59 9.298 9.298 8.957 0.341 19632 3202 1 10 . 1 1 60 60 SER N N 60 119.913 119.913 124.047 -4.134 19632 3203 1 10 . 1 1 60 60 SER HA H 60 3.887 3.887 4.294 -0.407 19632 3204 1 10 . 1 1 60 60 SER CA C 60 62.373 62.373 61.365 1.008 19632 3205 1 10 . 1 1 60 60 SER CB C 60 62.777 62.777 63.376 -0.599 19632 3206 1 10 . 1 1 60 60 SER H H 60 9.698 9.698 9.472 0.226 19632 3207 1 10 . 1 1 61 61 ASP N N 61 117.504 117.504 120.705 -3.201 19632 3208 1 10 . 1 1 61 61 ASP HA H 61 4.764 4.764 4.542 0.222 19632 3209 1 10 . 1 1 61 61 ASP CA C 61 53.789 53.789 56.152 -2.363 19632 3210 1 10 . 1 1 61 61 ASP CB C 61 40.082 40.082 41.339 -1.257 19632 3211 1 10 . 1 1 61 61 ASP H H 61 8.769 8.769 8.763 0.006 19632 3212 1 10 . 1 1 62 62 GLN N N 62 118.595 118.595 116.740 1.855 19632 3213 1 10 . 1 1 62 62 GLN HA H 62 4.779 4.779 4.782 -0.003 19632 3214 1 10 . 1 1 62 62 GLN CA C 62 54.066 54.066 52.630 1.436 19632 3215 1 10 . 1 1 62 62 GLN CB C 62 30.309 30.309 29.345 0.964 19632 3216 1 10 . 1 1 62 62 GLN H H 62 7.467 7.467 7.715 -0.248 19632 3217 1 10 . 1 1 63 63 PRO HA H 63 4.662 4.662 4.757 -0.095 19632 3218 1 10 . 1 1 63 63 PRO CB C 63 32.293 32.293 30.862 1.431 19632 3219 1 10 . 1 1 64 64 ASP N N 64 116.697 116.697 120.016 -3.319 19632 3220 1 10 . 1 1 64 64 ASP HA H 64 4.662 4.662 4.643 0.019 19632 3221 1 10 . 1 1 64 64 ASP CA C 64 54.449 54.449 54.329 0.120 19632 3222 1 10 . 1 1 64 64 ASP CB C 64 41.201 41.201 42.910 -1.709 19632 3223 1 10 . 1 1 64 64 ASP H H 64 8.389 8.389 8.231 0.158 19632 3224 1 10 . 1 1 65 65 LYS N N 65 119.781 119.781 120.062 -0.281 19632 3225 1 10 . 1 1 65 65 LYS HA H 65 4.547 4.547 4.514 0.033 19632 3226 1 10 . 1 1 65 65 LYS CA C 65 55.469 55.469 55.506 -0.037 19632 3227 1 10 . 1 1 65 65 LYS CB C 65 34.796 34.796 33.790 1.006 19632 3228 1 10 . 1 1 65 65 LYS H H 65 7.592 7.592 7.543 0.049 19632 3229 1 10 . 1 1 66 66 LEU N N 66 125.131 125.131 121.121 4.010 19632 3230 1 10 . 1 1 66 66 LEU HA H 66 4.708 4.708 4.476 0.232 19632 3231 1 10 . 1 1 66 66 LEU CA C 66 54.496 54.496 54.380 0.116 19632 3232 1 10 . 1 1 66 66 LEU CB C 66 44.010 44.010 43.336 0.674 19632 3233 1 10 . 1 1 66 66 LEU H H 66 8.300 8.300 8.285 0.015 19632 3234 1 10 . 1 1 67 67 ILE N N 67 124.524 124.524 124.363 0.161 19632 3235 1 10 . 1 1 67 67 ILE HA H 67 4.447 4.447 4.486 -0.039 19632 3236 1 10 . 1 1 67 67 ILE CA C 67 57.824 57.824 56.619 1.205 19632 3237 1 10 . 1 1 67 67 ILE CB C 67 40.744 40.744 37.513 3.231 19632 3238 1 10 . 1 1 67 67 ILE H H 67 9.427 9.427 9.014 0.413 19632 3239 1 10 . 1 1 68 68 PRO HA H 68 4.649 4.649 4.461 0.188 19632 3240 1 10 . 1 1 68 68 PRO CB C 68 32.644 32.644 31.964 0.680 19632 3241 1 10 . 1 1 69 69 GLN N N 69 119.126 119.126 120.020 -0.894 19632 3242 1 10 . 1 1 69 69 GLN HA H 69 3.730 3.730 3.919 -0.189 19632 3243 1 10 . 1 1 69 69 GLN CA C 69 59.447 59.447 59.862 -0.416 19632 3244 1 10 . 1 1 69 69 GLN CB C 69 28.819 28.819 28.783 0.036 19632 3245 1 10 . 1 1 69 69 GLN H H 69 8.386 8.386 8.300 0.086 19632 3246 1 10 . 1 1 70 70 TRP N N 70 112.076 112.076 114.720 -2.644 19632 3247 1 10 . 1 1 70 70 TRP HA H 70 4.525 4.525 3.368 1.157 19632 3248 1 10 . 1 1 70 70 TRP CA C 70 58.197 58.197 57.662 0.535 19632 3249 1 10 . 1 1 70 70 TRP CB C 70 28.016 28.016 28.185 -0.169 19632 3250 1 10 . 1 1 70 70 TRP H H 70 6.972 6.972 7.659 -0.687 19632 3251 1 10 . 1 1 71 71 GLU N N 71 119.388 119.388 117.704 1.684 19632 3252 1 10 . 1 1 71 71 GLU HA H 71 4.249 4.249 4.187 0.062 19632 3253 1 10 . 1 1 71 71 GLU CA C 71 56.654 56.654 56.800 -0.146 19632 3254 1 10 . 1 1 71 71 GLU CB C 71 30.938 30.938 30.537 0.401 19632 3255 1 10 . 1 1 71 71 GLU H H 71 7.386 7.386 6.926 0.460 19632 3256 1 10 . 1 1 72 72 ILE N N 72 115.759 115.759 117.452 -1.693 19632 3257 1 10 . 1 1 72 72 ILE HA H 72 3.324 3.324 3.712 -0.388 19632 3258 1 10 . 1 1 72 72 ILE CA C 72 64.205 64.205 63.753 0.452 19632 3259 1 10 . 1 1 72 72 ILE CB C 72 38.012 38.012 38.190 -0.178 19632 3260 1 10 . 1 1 72 72 ILE H H 72 6.754 6.754 7.157 -0.403 19632 3261 1 10 . 1 1 73 73 PHE N N 73 115.942 115.942 116.021 -0.079 19632 3262 1 10 . 1 1 73 73 PHE HA H 73 4.248 4.248 4.351 -0.103 19632 3263 1 10 . 1 1 73 73 PHE CA C 73 56.514 56.514 55.479 1.035 19632 3264 1 10 . 1 1 73 73 PHE CB C 73 38.479 38.479 37.665 0.814 19632 3265 1 10 . 1 1 73 73 PHE H H 73 7.388 7.388 7.196 0.192 19632 3266 1 10 . 1 1 74 74 SER N N 74 114.787 114.787 115.810 -1.023 19632 3267 1 10 . 1 1 74 74 SER HA H 74 4.358 4.358 4.404 -0.046 19632 3268 1 10 . 1 1 74 74 SER CA C 74 58.265 58.265 58.350 -0.085 19632 3269 1 10 . 1 1 74 74 SER CB C 74 63.783 63.783 62.983 0.800 19632 3270 1 10 . 1 1 74 74 SER H H 74 7.203 7.203 7.571 -0.368 19632 3271 1 11 . 1 1 2 2 ALA HA H 2 4.290 4.290 4.439 -0.149 19632 3272 1 11 . 1 1 2 2 ALA CA C 2 53.589 53.589 52.127 1.462 19632 3273 1 11 . 1 1 2 2 ALA CB C 2 19.556 19.556 20.196 -0.640 19632 3274 1 11 . 1 1 5 5 ASP N N 5 116.992 116.992 121.698 -4.706 19632 3275 1 11 . 1 1 5 5 ASP HA H 5 4.622 4.622 4.779 -0.157 19632 3276 1 11 . 1 1 5 5 ASP CA C 5 54.508 54.508 53.594 0.914 19632 3277 1 11 . 1 1 5 5 ASP CB C 5 41.375 41.375 42.121 -0.746 19632 3278 1 11 . 1 1 5 5 ASP H H 5 8.372 8.372 8.555 -0.183 19632 3279 1 11 . 1 1 6 6 ALA N N 6 124.275 124.275 124.113 0.162 19632 3280 1 11 . 1 1 6 6 ALA HA H 6 4.582 4.582 4.603 -0.021 19632 3281 1 11 . 1 1 6 6 ALA CA C 6 48.068 48.068 50.507 -2.439 19632 3282 1 11 . 1 1 6 6 ALA CB C 6 18.765 18.765 18.996 -0.231 19632 3283 1 11 . 1 1 6 6 ALA H H 6 7.984 7.984 8.285 -0.301 19632 3284 1 11 . 1 1 7 7 PRO HA H 7 4.486 4.486 4.517 -0.031 19632 3285 1 11 . 1 1 7 7 PRO CA C 7 63.406 63.406 62.174 1.232 19632 3286 1 11 . 1 1 7 7 PRO CB C 7 32.491 32.491 32.410 0.081 19632 3287 1 11 . 1 1 8 8 SER N N 8 115.947 115.947 115.818 0.129 19632 3288 1 11 . 1 1 8 8 SER HA H 8 4.483 4.483 4.292 0.191 19632 3289 1 11 . 1 1 8 8 SER CA C 8 58.635 58.635 59.306 -0.671 19632 3290 1 11 . 1 1 8 8 SER CB C 8 64.447 64.447 63.620 0.827 19632 3291 1 11 . 1 1 8 8 SER H H 8 8.424 8.424 8.223 0.201 19632 3292 1 11 . 1 1 9 9 GLY N N 9 109.902 109.902 112.449 -2.547 19632 3293 1 11 . 1 1 9 9 GLY CA C 9 45.804 45.804 44.988 0.816 19632 3294 1 11 . 1 1 9 9 GLY H H 9 8.352 8.352 8.574 -0.222 19632 3295 1 11 . 1 1 10 10 GLU N N 10 119.364 119.364 121.081 -1.717 19632 3296 1 11 . 1 1 10 10 GLU HA H 10 4.808 4.808 4.628 0.180 19632 3297 1 11 . 1 1 10 10 GLU CA C 10 53.481 53.481 53.127 0.354 19632 3298 1 11 . 1 1 10 10 GLU CB C 10 30.956 30.956 29.791 1.165 19632 3299 1 11 . 1 1 10 10 GLU H H 10 8.071 8.071 8.367 -0.296 19632 3300 1 11 . 1 1 11 11 PRO HA H 11 5.012 5.012 4.896 0.116 19632 3301 1 11 . 1 1 11 11 PRO CA C 11 63.350 63.350 62.351 0.999 19632 3302 1 11 . 1 1 11 11 PRO CB C 11 34.176 34.176 31.983 2.193 19632 3303 1 11 . 1 1 12 12 ASP N N 12 122.007 122.007 124.371 -2.364 19632 3304 1 11 . 1 1 12 12 ASP HA H 12 5.030 5.030 4.601 0.429 19632 3305 1 11 . 1 1 12 12 ASP CA C 12 53.249 53.249 53.475 -0.226 19632 3306 1 11 . 1 1 12 12 ASP CB C 12 45.006 45.006 42.581 2.425 19632 3307 1 11 . 1 1 12 12 ASP H H 12 9.396 9.396 8.197 1.199 19632 3308 1 11 . 1 1 13 13 VAL N N 13 120.517 120.517 122.633 -2.116 19632 3309 1 11 . 1 1 13 13 VAL HA H 13 5.090 5.090 4.160 0.930 19632 3310 1 11 . 1 1 13 13 VAL CA C 13 59.653 59.653 60.878 -1.225 19632 3311 1 11 . 1 1 13 13 VAL CB C 13 35.347 35.347 32.918 2.429 19632 3312 1 11 . 1 1 13 13 VAL H H 13 8.402 8.402 8.433 -0.031 19632 3313 1 11 . 1 1 14 14 THR N N 14 122.388 122.388 126.806 -4.418 19632 3314 1 11 . 1 1 14 14 THR HA H 14 4.465 4.465 4.331 0.134 19632 3315 1 11 . 1 1 14 14 THR CA C 14 61.591 61.591 62.371 -0.780 19632 3316 1 11 . 1 1 14 14 THR CB C 14 71.537 71.537 68.208 3.329 19632 3317 1 11 . 1 1 14 14 THR H H 14 8.397 8.397 8.954 -0.557 19632 3318 1 11 . 1 1 15 15 ILE N N 15 125.929 125.929 128.505 -2.576 19632 3319 1 11 . 1 1 15 15 ILE HA H 15 4.882 4.882 3.934 0.948 19632 3320 1 11 . 1 1 15 15 ILE CA C 15 60.655 60.655 61.528 -0.873 19632 3321 1 11 . 1 1 15 15 ILE CB C 15 40.004 40.004 37.114 2.889 19632 3322 1 11 . 1 1 15 15 ILE H H 15 8.628 8.628 8.412 0.215 19632 3323 1 11 . 1 1 16 16 ARG N N 16 125.332 125.332 128.989 -3.657 19632 3324 1 11 . 1 1 16 16 ARG HA H 16 4.662 4.662 4.679 -0.017 19632 3325 1 11 . 1 1 16 16 ARG CA C 16 54.731 54.731 53.023 1.708 19632 3326 1 11 . 1 1 16 16 ARG CB C 16 33.731 33.731 32.591 1.140 19632 3327 1 11 . 1 1 16 16 ARG H H 16 9.057 9.057 8.484 0.573 19632 3328 1 11 . 1 1 17 17 GLN N N 17 121.044 121.044 119.618 1.426 19632 3329 1 11 . 1 1 17 17 GLN HA H 17 4.803 4.803 4.717 0.086 19632 3330 1 11 . 1 1 17 17 GLN CA C 17 55.241 55.241 55.285 -0.044 19632 3331 1 11 . 1 1 17 17 GLN CB C 17 30.461 30.461 31.032 -0.571 19632 3332 1 11 . 1 1 17 17 GLN H H 17 8.508 8.508 8.544 -0.036 19632 3333 1 11 . 1 1 18 18 GLU N N 18 125.409 125.409 124.888 0.521 19632 3334 1 11 . 1 1 18 18 GLU HA H 18 4.529 4.529 4.419 0.110 19632 3335 1 11 . 1 1 18 18 GLU CA C 18 55.018 55.018 54.945 0.073 19632 3336 1 11 . 1 1 18 18 GLU CB C 18 31.654 31.654 28.778 2.876 19632 3337 1 11 . 1 1 18 18 GLU H H 18 8.394 8.394 8.399 -0.005 19632 3338 1 11 . 1 1 19 19 GLY N N 19 114.286 114.286 116.748 -2.462 19632 3339 1 11 . 1 1 19 19 GLY CA C 19 47.887 47.887 46.336 1.551 19632 3340 1 11 . 1 1 19 19 GLY H H 19 8.804 8.804 8.441 0.363 19632 3341 1 11 . 1 1 20 20 ASP N N 20 124.137 124.137 126.335 -2.198 19632 3342 1 11 . 1 1 20 20 ASP HA H 20 4.536 4.536 4.855 -0.319 19632 3343 1 11 . 1 1 20 20 ASP CA C 20 54.019 54.019 53.943 0.076 19632 3344 1 11 . 1 1 20 20 ASP CB C 20 41.053 41.053 40.856 0.197 19632 3345 1 11 . 1 1 20 20 ASP H H 20 8.519 8.519 8.308 0.211 19632 3346 1 11 . 1 1 21 21 LYS N N 21 116.711 116.711 119.001 -2.290 19632 3347 1 11 . 1 1 21 21 LYS HA H 21 4.648 4.648 5.181 -0.533 19632 3348 1 11 . 1 1 21 21 LYS CA C 21 55.468 55.468 54.787 0.681 19632 3349 1 11 . 1 1 21 21 LYS CB C 21 34.941 34.941 35.181 -0.240 19632 3350 1 11 . 1 1 21 21 LYS H H 21 7.696 7.696 7.480 0.216 19632 3351 1 11 . 1 1 22 22 THR N N 22 118.655 118.655 122.242 -3.587 19632 3352 1 11 . 1 1 22 22 THR HA H 22 4.541 4.541 4.638 -0.097 19632 3353 1 11 . 1 1 22 22 THR CA C 22 62.936 62.936 63.199 -0.263 19632 3354 1 11 . 1 1 22 22 THR CB C 22 70.275 70.275 68.578 1.697 19632 3355 1 11 . 1 1 22 22 THR H H 22 7.994 7.994 8.540 -0.546 19632 3356 1 11 . 1 1 23 23 ILE N N 23 126.114 126.114 129.684 -3.570 19632 3357 1 11 . 1 1 23 23 ILE HA H 23 4.699 4.699 4.124 0.575 19632 3358 1 11 . 1 1 23 23 ILE CA C 23 59.119 59.119 60.848 -1.729 19632 3359 1 11 . 1 1 23 23 ILE CB C 23 40.729 40.729 37.031 3.698 19632 3360 1 11 . 1 1 23 23 ILE H H 23 8.957 8.957 8.556 0.401 19632 3361 1 11 . 1 1 24 24 GLN N N 24 123.560 123.560 128.382 -4.822 19632 3362 1 11 . 1 1 24 24 GLN HA H 24 5.121 5.121 4.699 0.422 19632 3363 1 11 . 1 1 24 24 GLN CA C 24 53.653 53.653 54.539 -0.886 19632 3364 1 11 . 1 1 24 24 GLN CB C 24 30.573 30.573 29.094 1.479 19632 3365 1 11 . 1 1 24 24 GLN H H 24 8.932 8.932 8.927 0.005 19632 3366 1 11 . 1 1 25 25 GLU N N 25 122.651 122.651 125.131 -2.480 19632 3367 1 11 . 1 1 25 25 GLU HA H 25 4.462 4.462 4.512 -0.050 19632 3368 1 11 . 1 1 25 25 GLU CA C 25 55.548 55.548 55.344 0.203 19632 3369 1 11 . 1 1 25 25 GLU CB C 25 32.644 32.644 30.218 2.426 19632 3370 1 11 . 1 1 25 25 GLU H H 25 8.987 8.987 8.936 0.051 19632 3371 1 11 . 1 1 26 26 TYR N N 26 124.044 124.044 126.914 -2.870 19632 3372 1 11 . 1 1 26 26 TYR HA H 26 4.756 4.756 4.369 0.387 19632 3373 1 11 . 1 1 26 26 TYR CA C 26 58.317 58.317 59.001 -0.684 19632 3374 1 11 . 1 1 26 26 TYR CB C 26 38.543 38.543 37.084 1.459 19632 3375 1 11 . 1 1 26 26 TYR H H 26 8.930 8.930 9.149 -0.219 19632 3376 1 11 . 1 1 27 27 ARG N N 27 119.739 119.739 124.013 -4.274 19632 3377 1 11 . 1 1 27 27 ARG HA H 27 5.657 5.657 5.402 0.255 19632 3378 1 11 . 1 1 27 27 ARG CA C 27 53.860 53.860 54.545 -0.685 19632 3379 1 11 . 1 1 27 27 ARG CB C 27 36.310 36.310 33.123 3.187 19632 3380 1 11 . 1 1 27 27 ARG H H 27 8.496 8.496 8.479 0.017 19632 3381 1 11 . 1 1 28 28 VAL N N 28 115.698 115.698 124.288 -8.590 19632 3382 1 11 . 1 1 28 28 VAL HA H 28 4.526 4.526 4.338 0.188 19632 3383 1 11 . 1 1 28 28 VAL CA C 28 60.002 60.002 64.198 -4.196 19632 3384 1 11 . 1 1 28 28 VAL CB C 28 34.889 34.889 33.023 1.866 19632 3385 1 11 . 1 1 28 28 VAL H H 28 8.716 8.716 8.300 0.416 19632 3386 1 11 . 1 1 29 29 ASN N N 29 128.827 128.827 119.344 9.483 19632 3387 1 11 . 1 1 29 29 ASN HA H 29 4.309 4.309 4.908 -0.599 19632 3388 1 11 . 1 1 29 29 ASN CA C 29 54.385 54.385 53.192 1.193 19632 3389 1 11 . 1 1 29 29 ASN CB C 29 38.270 38.270 37.488 0.782 19632 3390 1 11 . 1 1 29 29 ASN H H 29 9.605 9.605 8.482 1.123 19632 3391 1 11 . 1 1 30 30 GLY N N 30 103.111 103.111 108.249 -5.138 19632 3392 1 11 . 1 1 30 30 GLY CA C 30 45.901 45.901 45.814 0.087 19632 3393 1 11 . 1 1 30 30 GLY H H 30 8.784 8.784 8.579 0.205 19632 3394 1 11 . 1 1 31 31 PHE N N 31 123.693 123.693 120.370 3.323 19632 3395 1 11 . 1 1 31 31 PHE HA H 31 4.529 4.529 4.830 -0.300 19632 3396 1 11 . 1 1 31 31 PHE CA C 31 57.924 57.924 56.602 1.322 19632 3397 1 11 . 1 1 31 31 PHE CB C 31 40.207 40.207 41.517 -1.310 19632 3398 1 11 . 1 1 31 31 PHE H H 31 8.191 8.191 7.663 0.528 19632 3399 1 11 . 1 1 32 32 LEU N N 32 130.348 130.348 129.422 0.926 19632 3400 1 11 . 1 1 32 32 LEU HA H 32 4.427 4.427 4.592 -0.165 19632 3401 1 11 . 1 1 32 32 LEU CA C 32 55.517 55.517 54.101 1.416 19632 3402 1 11 . 1 1 32 32 LEU CB C 32 42.468 42.468 42.048 0.420 19632 3403 1 11 . 1 1 32 32 LEU H H 32 8.171 8.171 8.454 -0.283 19632 3404 1 11 . 1 1 33 33 TYR N N 33 124.923 124.923 121.362 3.561 19632 3405 1 11 . 1 1 33 33 TYR HA H 33 4.557 4.557 4.746 -0.189 19632 3406 1 11 . 1 1 33 33 TYR CA C 33 56.404 56.404 56.359 0.045 19632 3407 1 11 . 1 1 33 33 TYR CB C 33 39.131 39.131 40.364 -1.232 19632 3408 1 11 . 1 1 33 33 TYR H H 33 8.415 8.415 8.282 0.133 19632 3409 1 11 . 1 1 34 34 ALA N N 34 120.211 120.211 120.809 -0.598 19632 3410 1 11 . 1 1 34 34 ALA HA H 34 5.528 5.528 5.164 0.364 19632 3411 1 11 . 1 1 34 34 ALA CA C 34 52.196 52.196 51.400 0.796 19632 3412 1 11 . 1 1 34 34 ALA CB C 34 22.633 22.633 22.077 0.556 19632 3413 1 11 . 1 1 34 34 ALA H H 34 7.399 7.399 7.093 0.306 19632 3414 1 11 . 1 1 35 35 ILE N N 35 118.197 118.197 122.514 -4.317 19632 3415 1 11 . 1 1 35 35 ILE HA H 35 5.157 5.157 5.195 -0.038 19632 3416 1 11 . 1 1 35 35 ILE CA C 35 60.000 60.000 60.175 -0.175 19632 3417 1 11 . 1 1 35 35 ILE CB C 35 43.639 43.639 42.252 1.387 19632 3418 1 11 . 1 1 35 35 ILE H H 35 9.224 9.224 8.800 0.424 19632 3419 1 11 . 1 1 36 36 LYS N N 36 127.872 127.872 129.360 -1.488 19632 3420 1 11 . 1 1 36 36 LYS HA H 36 4.204 4.204 4.654 -0.450 19632 3421 1 11 . 1 1 36 36 LYS CA C 36 55.245 55.245 55.044 0.201 19632 3422 1 11 . 1 1 36 36 LYS CB C 36 36.092 36.092 33.892 2.200 19632 3423 1 11 . 1 1 36 36 LYS H H 36 9.708 9.708 9.032 0.676 19632 3424 1 11 . 1 1 37 37 VAL N N 37 128.005 128.005 128.796 -0.791 19632 3425 1 11 . 1 1 37 37 VAL HA H 37 4.043 4.043 5.028 -0.985 19632 3426 1 11 . 1 1 37 37 VAL CA C 37 61.840 61.840 59.836 2.004 19632 3427 1 11 . 1 1 37 37 VAL CB C 37 32.523 32.523 34.304 -1.781 19632 3428 1 11 . 1 1 37 37 VAL H H 37 8.551 8.551 8.167 0.384 19632 3429 1 11 . 1 1 38 38 VAL N N 38 125.034 125.034 129.488 -4.454 19632 3430 1 11 . 1 1 38 38 VAL HA H 38 4.277 4.277 4.480 -0.203 19632 3431 1 11 . 1 1 38 38 VAL CA C 38 59.287 59.287 58.097 1.190 19632 3432 1 11 . 1 1 38 38 VAL CB C 38 32.568 32.568 31.433 1.135 19632 3433 1 11 . 1 1 38 38 VAL H H 38 8.668 8.668 8.993 -0.325 19632 3434 1 11 . 1 1 39 39 PRO HA H 39 4.565 4.565 4.983 -0.418 19632 3435 1 11 . 1 1 39 39 PRO CA C 39 62.202 62.202 62.056 0.145 19632 3436 1 11 . 1 1 39 39 PRO CB C 39 32.887 32.887 32.478 0.409 19632 3437 1 11 . 1 1 40 40 LYS N N 40 121.622 121.622 120.925 0.697 19632 3438 1 11 . 1 1 40 40 LYS HA H 40 3.877 3.877 3.969 -0.092 19632 3439 1 11 . 1 1 40 40 LYS CA C 40 58.950 58.950 58.676 0.274 19632 3440 1 11 . 1 1 40 40 LYS CB C 40 32.988 32.988 32.497 0.491 19632 3441 1 11 . 1 1 40 40 LYS H H 40 8.275 8.275 8.735 -0.460 19632 3442 1 11 . 1 1 41 41 HIS N N 41 114.012 114.012 118.520 -4.508 19632 3443 1 11 . 1 1 41 41 HIS HA H 41 4.795 4.795 4.613 0.182 19632 3444 1 11 . 1 1 41 41 HIS CA C 41 54.904 54.904 55.851 -0.947 19632 3445 1 11 . 1 1 41 41 HIS CB C 41 30.835 30.835 28.489 2.346 19632 3446 1 11 . 1 1 41 41 HIS H H 41 8.040 8.040 8.057 -0.017 19632 3447 1 11 . 1 1 42 42 GLY N N 42 109.068 109.068 113.273 -4.205 19632 3448 1 11 . 1 1 42 42 GLY CA C 42 44.482 44.482 44.662 -0.180 19632 3449 1 11 . 1 1 42 42 GLY H H 42 7.966 7.966 8.030 -0.064 19632 3450 1 11 . 1 1 43 43 LYS N N 43 120.287 120.287 121.840 -1.553 19632 3451 1 11 . 1 1 43 43 LYS HA H 43 4.680 4.680 4.755 -0.075 19632 3452 1 11 . 1 1 43 43 LYS CA C 43 54.392 54.392 53.542 0.850 19632 3453 1 11 . 1 1 43 43 LYS CB C 43 33.511 33.511 34.719 -1.208 19632 3454 1 11 . 1 1 43 43 LYS H H 43 8.209 8.209 8.294 -0.085 19632 3455 1 11 . 1 1 44 44 PRO HA H 44 5.013 5.013 4.788 0.225 19632 3456 1 11 . 1 1 44 44 PRO CA C 44 62.744 62.744 62.808 -0.064 19632 3457 1 11 . 1 1 44 44 PRO CB C 44 33.747 33.747 32.079 1.668 19632 3458 1 11 . 1 1 45 45 TYR N N 45 115.140 115.140 120.117 -4.977 19632 3459 1 11 . 1 1 45 45 TYR HA H 45 4.897 4.897 4.877 0.020 19632 3460 1 11 . 1 1 45 45 TYR CA C 45 56.387 56.387 54.752 1.635 19632 3461 1 11 . 1 1 45 45 TYR CB C 45 40.574 40.574 40.670 -0.096 19632 3462 1 11 . 1 1 45 45 TYR H H 45 8.176 8.176 8.332 -0.156 19632 3463 1 11 . 1 1 46 46 PHE N N 46 115.001 115.001 118.990 -3.989 19632 3464 1 11 . 1 1 46 46 PHE HA H 46 5.662 5.662 5.082 0.580 19632 3465 1 11 . 1 1 46 46 PHE CA C 46 56.395 56.395 57.079 -0.684 19632 3466 1 11 . 1 1 46 46 PHE CB C 46 43.736 43.736 40.780 2.956 19632 3467 1 11 . 1 1 46 46 PHE H H 46 8.607 8.607 9.425 -0.818 19632 3468 1 11 . 1 1 47 47 LEU N N 47 121.747 121.747 126.681 -4.934 19632 3469 1 11 . 1 1 47 47 LEU HA H 47 5.339 5.339 5.098 0.241 19632 3470 1 11 . 1 1 47 47 LEU CA C 47 54.116 54.116 53.746 0.370 19632 3471 1 11 . 1 1 47 47 LEU CB C 47 44.357 44.357 43.467 0.890 19632 3472 1 11 . 1 1 47 47 LEU H H 47 9.631 9.631 9.336 0.295 19632 3473 1 11 . 1 1 48 48 VAL N N 48 122.850 122.850 127.337 -4.487 19632 3474 1 11 . 1 1 48 48 VAL HA H 48 4.476 4.476 4.450 0.026 19632 3475 1 11 . 1 1 48 48 VAL CA C 48 61.559 61.559 62.465 -0.906 19632 3476 1 11 . 1 1 48 48 VAL CB C 48 35.232 35.232 32.963 2.269 19632 3477 1 11 . 1 1 48 48 VAL H H 48 9.334 9.334 9.407 -0.073 19632 3478 1 11 . 1 1 49 49 ARG N N 49 129.488 129.488 127.996 1.492 19632 3479 1 11 . 1 1 49 49 ARG HA H 49 3.045 3.045 4.174 -1.129 19632 3480 1 11 . 1 1 49 49 ARG CA C 49 56.623 56.623 53.622 3.001 19632 3481 1 11 . 1 1 49 49 ARG CB C 49 31.326 31.326 31.386 -0.060 19632 3482 1 11 . 1 1 49 49 ARG H H 49 8.451 8.451 8.791 -0.340 19632 3483 1 11 . 1 1 50 50 ALA N N 50 131.016 131.016 130.181 0.835 19632 3484 1 11 . 1 1 50 50 ALA HA H 50 4.418 4.418 4.398 0.020 19632 3485 1 11 . 1 1 50 50 ALA CA C 50 51.502 51.502 51.193 0.309 19632 3486 1 11 . 1 1 50 50 ALA CB C 50 20.364 20.364 19.784 0.580 19632 3487 1 11 . 1 1 50 50 ALA H H 50 8.524 8.524 7.989 0.535 19632 3488 1 11 . 1 1 51 51 ASP N N 51 112.516 112.516 117.568 -5.052 19632 3489 1 11 . 1 1 51 51 ASP HA H 51 4.413 4.413 4.441 -0.028 19632 3490 1 11 . 1 1 51 51 ASP CA C 51 54.301 54.301 54.821 -0.520 19632 3491 1 11 . 1 1 51 51 ASP CB C 51 41.710 41.710 41.541 0.169 19632 3492 1 11 . 1 1 51 51 ASP H H 51 8.597 8.597 8.339 0.258 19632 3493 1 11 . 1 1 52 52 GLY N N 52 106.147 106.147 108.149 -2.002 19632 3494 1 11 . 1 1 52 52 GLY CA C 52 45.499 45.499 45.605 -0.106 19632 3495 1 11 . 1 1 52 52 GLY H H 52 8.378 8.378 8.605 -0.227 19632 3496 1 11 . 1 1 53 53 SER N N 53 115.000 115.000 115.046 -0.046 19632 3497 1 11 . 1 1 53 53 SER HA H 53 4.439 4.439 4.157 0.282 19632 3498 1 11 . 1 1 53 53 SER CA C 53 60.282 60.282 59.251 1.031 19632 3499 1 11 . 1 1 53 53 SER CB C 53 64.175 64.175 62.333 1.842 19632 3500 1 11 . 1 1 53 53 SER H H 53 8.677 8.677 8.014 0.663 19632 3501 1 11 . 1 1 54 54 ASP N N 54 119.220 119.220 121.694 -2.474 19632 3502 1 11 . 1 1 54 54 ASP HA H 54 4.595 4.595 4.535 0.060 19632 3503 1 11 . 1 1 54 54 ASP CA C 54 55.689 55.689 56.230 -0.541 19632 3504 1 11 . 1 1 54 54 ASP CB C 54 41.326 41.326 41.554 -0.228 19632 3505 1 11 . 1 1 54 54 ASP H H 54 8.364 8.364 7.876 0.488 19632 3506 1 11 . 1 1 55 55 GLY N N 55 107.460 107.460 104.169 3.291 19632 3507 1 11 . 1 1 55 55 GLY CA C 55 47.210 47.210 44.994 2.216 19632 3508 1 11 . 1 1 55 55 GLY H H 55 7.801 7.801 8.572 -0.771 19632 3509 1 11 . 1 1 56 56 ASN N N 56 116.076 116.076 116.336 -0.260 19632 3510 1 11 . 1 1 56 56 ASN HA H 56 4.997 4.997 5.726 -0.729 19632 3511 1 11 . 1 1 56 56 ASN CA C 56 53.235 53.235 50.602 2.634 19632 3512 1 11 . 1 1 56 56 ASN CB C 56 41.540 41.540 41.059 0.480 19632 3513 1 11 . 1 1 56 56 ASN H H 56 7.919 7.919 7.677 0.242 19632 3514 1 11 . 1 1 57 57 PHE N N 57 118.405 118.405 117.472 0.933 19632 3515 1 11 . 1 1 57 57 PHE HA H 57 5.043 5.043 5.523 -0.480 19632 3516 1 11 . 1 1 57 57 PHE CA C 57 56.786 56.786 56.288 0.498 19632 3517 1 11 . 1 1 57 57 PHE CB C 57 44.374 44.374 44.044 0.330 19632 3518 1 11 . 1 1 57 57 PHE H H 57 9.203 9.203 8.034 1.169 19632 3519 1 11 . 1 1 58 58 ILE N N 58 118.503 118.503 120.830 -2.327 19632 3520 1 11 . 1 1 58 58 ILE HA H 58 4.507 4.507 4.582 -0.075 19632 3521 1 11 . 1 1 58 58 ILE CA C 58 60.493 60.493 58.749 1.744 19632 3522 1 11 . 1 1 58 58 ILE CB C 58 42.447 42.447 38.915 3.532 19632 3523 1 11 . 1 1 58 58 ILE H H 58 9.222 9.222 9.304 -0.082 19632 3524 1 11 . 1 1 59 59 ARG N N 59 126.283 126.283 126.848 -0.565 19632 3525 1 11 . 1 1 59 59 ARG HA H 59 5.111 5.111 5.256 -0.145 19632 3526 1 11 . 1 1 59 59 ARG CA C 59 55.839 55.839 55.686 0.153 19632 3527 1 11 . 1 1 59 59 ARG CB C 59 32.157 32.157 31.607 0.550 19632 3528 1 11 . 1 1 59 59 ARG H H 59 9.298 9.298 8.819 0.479 19632 3529 1 11 . 1 1 60 60 SER N N 60 119.913 119.913 118.210 1.703 19632 3530 1 11 . 1 1 60 60 SER HA H 60 3.887 3.887 4.314 -0.427 19632 3531 1 11 . 1 1 60 60 SER CA C 60 62.373 62.373 61.032 1.341 19632 3532 1 11 . 1 1 60 60 SER CB C 60 62.777 62.777 63.618 -0.841 19632 3533 1 11 . 1 1 60 60 SER H H 60 9.698 9.698 9.006 0.692 19632 3534 1 11 . 1 1 61 61 ASP N N 61 117.504 117.504 122.038 -4.534 19632 3535 1 11 . 1 1 61 61 ASP HA H 61 4.764 4.764 4.396 0.368 19632 3536 1 11 . 1 1 61 61 ASP CA C 61 53.789 53.789 56.790 -3.001 19632 3537 1 11 . 1 1 61 61 ASP CB C 61 40.082 40.082 41.084 -1.002 19632 3538 1 11 . 1 1 61 61 ASP H H 61 8.769 8.769 8.561 0.208 19632 3539 1 11 . 1 1 62 62 GLN N N 62 118.595 118.595 115.123 3.472 19632 3540 1 11 . 1 1 62 62 GLN HA H 62 4.779 4.779 4.745 0.034 19632 3541 1 11 . 1 1 62 62 GLN CA C 62 54.066 54.066 53.690 0.376 19632 3542 1 11 . 1 1 62 62 GLN CB C 62 30.309 30.309 29.177 1.132 19632 3543 1 11 . 1 1 62 62 GLN H H 62 7.467 7.467 8.088 -0.621 19632 3544 1 11 . 1 1 63 63 PRO HA H 63 4.662 4.662 4.759 -0.097 19632 3545 1 11 . 1 1 63 63 PRO CB C 63 32.293 32.293 32.028 0.265 19632 3546 1 11 . 1 1 64 64 ASP N N 64 116.697 116.697 119.798 -3.101 19632 3547 1 11 . 1 1 64 64 ASP HA H 64 4.662 4.662 4.534 0.128 19632 3548 1 11 . 1 1 64 64 ASP CA C 64 54.449 54.449 54.994 -0.545 19632 3549 1 11 . 1 1 64 64 ASP CB C 64 41.201 41.201 41.481 -0.280 19632 3550 1 11 . 1 1 64 64 ASP H H 64 8.389 8.389 8.646 -0.257 19632 3551 1 11 . 1 1 65 65 LYS N N 65 119.781 119.781 118.175 1.606 19632 3552 1 11 . 1 1 65 65 LYS HA H 65 4.547 4.547 4.572 -0.025 19632 3553 1 11 . 1 1 65 65 LYS CA C 65 55.469 55.469 54.823 0.646 19632 3554 1 11 . 1 1 65 65 LYS CB C 65 34.796 34.796 33.938 0.858 19632 3555 1 11 . 1 1 65 65 LYS H H 65 7.592 7.592 7.487 0.105 19632 3556 1 11 . 1 1 66 66 LEU N N 66 125.131 125.131 120.220 4.911 19632 3557 1 11 . 1 1 66 66 LEU HA H 66 4.708 4.708 4.712 -0.004 19632 3558 1 11 . 1 1 66 66 LEU CA C 66 54.496 54.496 53.418 1.078 19632 3559 1 11 . 1 1 66 66 LEU CB C 66 44.010 44.010 43.836 0.174 19632 3560 1 11 . 1 1 66 66 LEU H H 66 8.300 8.300 8.307 -0.007 19632 3561 1 11 . 1 1 67 67 ILE N N 67 124.524 124.524 124.717 -0.193 19632 3562 1 11 . 1 1 67 67 ILE HA H 67 4.447 4.447 4.248 0.199 19632 3563 1 11 . 1 1 67 67 ILE CA C 67 57.824 57.824 57.763 0.061 19632 3564 1 11 . 1 1 67 67 ILE CB C 67 40.744 40.744 37.520 3.224 19632 3565 1 11 . 1 1 67 67 ILE H H 67 9.427 9.427 8.990 0.437 19632 3566 1 11 . 1 1 68 68 PRO HA H 68 4.649 4.649 4.260 0.389 19632 3567 1 11 . 1 1 68 68 PRO CB C 68 32.644 32.644 32.166 0.478 19632 3568 1 11 . 1 1 69 69 GLN N N 69 119.126 119.126 117.845 1.281 19632 3569 1 11 . 1 1 69 69 GLN HA H 69 3.730 3.730 4.461 -0.731 19632 3570 1 11 . 1 1 69 69 GLN CA C 69 59.447 59.447 57.206 2.241 19632 3571 1 11 . 1 1 69 69 GLN CB C 69 28.819 28.819 29.125 -0.306 19632 3572 1 11 . 1 1 69 69 GLN H H 69 8.386 8.386 8.292 0.094 19632 3573 1 11 . 1 1 70 70 TRP N N 70 112.076 112.076 116.470 -4.394 19632 3574 1 11 . 1 1 70 70 TRP HA H 70 4.525 4.525 4.655 -0.130 19632 3575 1 11 . 1 1 70 70 TRP CA C 70 58.197 58.197 57.494 0.703 19632 3576 1 11 . 1 1 70 70 TRP CB C 70 28.016 28.016 29.128 -1.113 19632 3577 1 11 . 1 1 70 70 TRP H H 70 6.972 6.972 7.437 -0.465 19632 3578 1 11 . 1 1 71 71 GLU N N 71 119.388 119.388 120.742 -1.354 19632 3579 1 11 . 1 1 71 71 GLU HA H 71 4.249 4.249 4.070 0.179 19632 3580 1 11 . 1 1 71 71 GLU CA C 71 56.654 56.654 57.597 -0.943 19632 3581 1 11 . 1 1 71 71 GLU CB C 71 30.938 30.938 29.262 1.676 19632 3582 1 11 . 1 1 71 71 GLU H H 71 7.386 7.386 6.982 0.404 19632 3583 1 11 . 1 1 72 72 ILE N N 72 115.759 115.759 115.599 0.160 19632 3584 1 11 . 1 1 72 72 ILE HA H 72 3.324 3.324 3.691 -0.367 19632 3585 1 11 . 1 1 72 72 ILE CA C 72 64.205 64.205 63.418 0.787 19632 3586 1 11 . 1 1 72 72 ILE CB C 72 38.012 38.012 37.735 0.277 19632 3587 1 11 . 1 1 72 72 ILE H H 72 6.754 6.754 7.108 -0.354 19632 3588 1 11 . 1 1 73 73 PHE N N 73 115.942 115.942 114.220 1.722 19632 3589 1 11 . 1 1 73 73 PHE HA H 73 4.248 4.248 5.240 -0.992 19632 3590 1 11 . 1 1 73 73 PHE CA C 73 56.514 56.514 55.218 1.296 19632 3591 1 11 . 1 1 73 73 PHE CB C 73 38.479 38.479 38.779 -0.299 19632 3592 1 11 . 1 1 73 73 PHE H H 73 7.388 7.388 7.088 0.300 19632 3593 1 11 . 1 1 74 74 SER N N 74 114.787 114.787 116.543 -1.756 19632 3594 1 11 . 1 1 74 74 SER HA H 74 4.358 4.358 4.466 -0.108 19632 3595 1 11 . 1 1 74 74 SER CA C 74 58.265 58.265 59.983 -1.718 19632 3596 1 11 . 1 1 74 74 SER CB C 74 63.783 63.783 63.716 0.067 19632 3597 1 11 . 1 1 74 74 SER H H 74 7.203 7.203 7.491 -0.288 19632 3598 1 12 . 1 1 2 2 ALA HA H 2 4.290 4.290 4.557 -0.267 19632 3599 1 12 . 1 1 2 2 ALA CA C 2 53.589 53.589 52.609 0.980 19632 3600 1 12 . 1 1 2 2 ALA CB C 2 19.556 19.556 19.773 -0.217 19632 3601 1 12 . 1 1 5 5 ASP N N 5 116.992 116.992 120.183 -3.191 19632 3602 1 12 . 1 1 5 5 ASP HA H 5 4.622 4.622 4.785 -0.163 19632 3603 1 12 . 1 1 5 5 ASP CA C 5 54.508 54.508 54.392 0.116 19632 3604 1 12 . 1 1 5 5 ASP CB C 5 41.375 41.375 42.233 -0.858 19632 3605 1 12 . 1 1 5 5 ASP H H 5 8.372 8.372 8.295 0.077 19632 3606 1 12 . 1 1 6 6 ALA N N 6 124.275 124.275 126.366 -2.091 19632 3607 1 12 . 1 1 6 6 ALA HA H 6 4.582 4.582 4.617 -0.035 19632 3608 1 12 . 1 1 6 6 ALA CA C 6 48.068 48.068 50.217 -2.149 19632 3609 1 12 . 1 1 6 6 ALA CB C 6 18.765 18.765 19.876 -1.111 19632 3610 1 12 . 1 1 6 6 ALA H H 6 7.984 7.984 7.980 0.004 19632 3611 1 12 . 1 1 7 7 PRO HA H 7 4.486 4.486 4.519 -0.033 19632 3612 1 12 . 1 1 7 7 PRO CA C 7 63.406 63.406 63.025 0.381 19632 3613 1 12 . 1 1 7 7 PRO CB C 7 32.491 32.491 31.673 0.818 19632 3614 1 12 . 1 1 8 8 SER N N 8 115.947 115.947 120.411 -4.464 19632 3615 1 12 . 1 1 8 8 SER HA H 8 4.483 4.483 4.601 -0.118 19632 3616 1 12 . 1 1 8 8 SER CA C 8 58.635 58.635 56.992 1.643 19632 3617 1 12 . 1 1 8 8 SER CB C 8 64.447 64.447 64.990 -0.543 19632 3618 1 12 . 1 1 8 8 SER H H 8 8.424 8.424 8.181 0.243 19632 3619 1 12 . 1 1 9 9 GLY N N 9 109.902 109.902 109.621 0.281 19632 3620 1 12 . 1 1 9 9 GLY CA C 9 45.804 45.804 45.371 0.433 19632 3621 1 12 . 1 1 9 9 GLY H H 9 8.352 8.352 8.332 0.020 19632 3622 1 12 . 1 1 10 10 GLU N N 10 119.364 119.364 118.110 1.254 19632 3623 1 12 . 1 1 10 10 GLU HA H 10 4.808 4.808 4.105 0.703 19632 3624 1 12 . 1 1 10 10 GLU CA C 10 53.481 53.481 56.228 -2.747 19632 3625 1 12 . 1 1 10 10 GLU CB C 10 30.956 30.956 28.876 2.080 19632 3626 1 12 . 1 1 10 10 GLU H H 10 8.071 8.071 8.346 -0.275 19632 3627 1 12 . 1 1 11 11 PRO HA H 11 5.012 5.012 5.205 -0.193 19632 3628 1 12 . 1 1 11 11 PRO CA C 11 63.350 63.350 62.232 1.118 19632 3629 1 12 . 1 1 11 11 PRO CB C 11 34.176 34.176 32.556 1.621 19632 3630 1 12 . 1 1 12 12 ASP N N 12 122.007 122.007 124.500 -2.493 19632 3631 1 12 . 1 1 12 12 ASP HA H 12 5.030 5.030 4.740 0.290 19632 3632 1 12 . 1 1 12 12 ASP CA C 12 53.249 53.249 53.683 -0.434 19632 3633 1 12 . 1 1 12 12 ASP CB C 12 45.006 45.006 44.161 0.845 19632 3634 1 12 . 1 1 12 12 ASP H H 12 9.396 9.396 9.065 0.331 19632 3635 1 12 . 1 1 13 13 VAL N N 13 120.517 120.517 124.285 -3.768 19632 3636 1 12 . 1 1 13 13 VAL HA H 13 5.090 5.090 4.566 0.524 19632 3637 1 12 . 1 1 13 13 VAL CA C 13 59.653 59.653 60.310 -0.657 19632 3638 1 12 . 1 1 13 13 VAL CB C 13 35.347 35.347 33.893 1.454 19632 3639 1 12 . 1 1 13 13 VAL H H 13 8.402 8.402 8.449 -0.047 19632 3640 1 12 . 1 1 14 14 THR N N 14 122.388 122.388 125.995 -3.607 19632 3641 1 12 . 1 1 14 14 THR HA H 14 4.465 4.465 4.387 0.078 19632 3642 1 12 . 1 1 14 14 THR CA C 14 61.591 61.591 62.219 -0.628 19632 3643 1 12 . 1 1 14 14 THR CB C 14 71.537 71.537 68.760 2.777 19632 3644 1 12 . 1 1 14 14 THR H H 14 8.397 8.397 8.521 -0.124 19632 3645 1 12 . 1 1 15 15 ILE N N 15 125.929 125.929 128.592 -2.663 19632 3646 1 12 . 1 1 15 15 ILE HA H 15 4.882 4.882 4.307 0.575 19632 3647 1 12 . 1 1 15 15 ILE CA C 15 60.655 60.655 61.211 -0.556 19632 3648 1 12 . 1 1 15 15 ILE CB C 15 40.004 40.004 37.806 2.199 19632 3649 1 12 . 1 1 15 15 ILE H H 15 8.628 8.628 8.597 0.031 19632 3650 1 12 . 1 1 16 16 ARG N N 16 125.332 125.332 128.517 -3.185 19632 3651 1 12 . 1 1 16 16 ARG HA H 16 4.662 4.662 4.750 -0.088 19632 3652 1 12 . 1 1 16 16 ARG CA C 16 54.731 54.731 53.869 0.862 19632 3653 1 12 . 1 1 16 16 ARG CB C 16 33.731 33.731 33.653 0.078 19632 3654 1 12 . 1 1 16 16 ARG H H 16 9.057 9.057 8.961 0.096 19632 3655 1 12 . 1 1 17 17 GLN N N 17 121.044 121.044 118.711 2.333 19632 3656 1 12 . 1 1 17 17 GLN HA H 17 4.803 4.803 4.747 0.056 19632 3657 1 12 . 1 1 17 17 GLN CA C 17 55.241 55.241 55.398 -0.157 19632 3658 1 12 . 1 1 17 17 GLN CB C 17 30.461 30.461 31.156 -0.695 19632 3659 1 12 . 1 1 17 17 GLN H H 17 8.508 8.508 8.578 -0.070 19632 3660 1 12 . 1 1 18 18 GLU N N 18 125.409 125.409 124.992 0.417 19632 3661 1 12 . 1 1 18 18 GLU HA H 18 4.529 4.529 4.571 -0.042 19632 3662 1 12 . 1 1 18 18 GLU CA C 18 55.018 55.018 54.999 0.019 19632 3663 1 12 . 1 1 18 18 GLU CB C 18 31.654 31.654 30.167 1.487 19632 3664 1 12 . 1 1 18 18 GLU H H 18 8.394 8.394 8.500 -0.106 19632 3665 1 12 . 1 1 19 19 GLY N N 19 114.286 114.286 116.733 -2.447 19632 3666 1 12 . 1 1 19 19 GLY CA C 19 47.887 47.887 46.996 0.891 19632 3667 1 12 . 1 1 19 19 GLY H H 19 8.804 8.804 8.697 0.107 19632 3668 1 12 . 1 1 20 20 ASP N N 20 124.137 124.137 125.927 -1.790 19632 3669 1 12 . 1 1 20 20 ASP HA H 20 4.536 4.536 4.801 -0.265 19632 3670 1 12 . 1 1 20 20 ASP CA C 20 54.019 54.019 53.973 0.046 19632 3671 1 12 . 1 1 20 20 ASP CB C 20 41.053 41.053 41.194 -0.141 19632 3672 1 12 . 1 1 20 20 ASP H H 20 8.519 8.519 8.461 0.058 19632 3673 1 12 . 1 1 21 21 LYS N N 21 116.711 116.711 119.142 -2.431 19632 3674 1 12 . 1 1 21 21 LYS HA H 21 4.648 4.648 5.168 -0.520 19632 3675 1 12 . 1 1 21 21 LYS CA C 21 55.468 55.468 54.046 1.422 19632 3676 1 12 . 1 1 21 21 LYS CB C 21 34.941 34.941 34.180 0.761 19632 3677 1 12 . 1 1 21 21 LYS H H 21 7.696 7.696 7.801 -0.105 19632 3678 1 12 . 1 1 22 22 THR N N 22 118.655 118.655 121.515 -2.860 19632 3679 1 12 . 1 1 22 22 THR HA H 22 4.541 4.541 4.477 0.064 19632 3680 1 12 . 1 1 22 22 THR CA C 22 62.936 62.936 63.038 -0.102 19632 3681 1 12 . 1 1 22 22 THR CB C 22 70.275 70.275 69.333 0.942 19632 3682 1 12 . 1 1 22 22 THR H H 22 7.994 7.994 8.607 -0.613 19632 3683 1 12 . 1 1 23 23 ILE N N 23 126.114 126.114 128.228 -2.114 19632 3684 1 12 . 1 1 23 23 ILE HA H 23 4.699 4.699 4.064 0.635 19632 3685 1 12 . 1 1 23 23 ILE CA C 23 59.119 59.119 58.642 0.477 19632 3686 1 12 . 1 1 23 23 ILE CB C 23 40.729 40.729 36.604 4.125 19632 3687 1 12 . 1 1 23 23 ILE H H 23 8.957 8.957 9.005 -0.048 19632 3688 1 12 . 1 1 24 24 GLN N N 24 123.560 123.560 127.418 -3.858 19632 3689 1 12 . 1 1 24 24 GLN HA H 24 5.121 5.121 4.633 0.488 19632 3690 1 12 . 1 1 24 24 GLN CA C 24 53.653 53.653 54.042 -0.389 19632 3691 1 12 . 1 1 24 24 GLN CB C 24 30.573 30.573 28.861 1.712 19632 3692 1 12 . 1 1 24 24 GLN H H 24 8.932 8.932 8.647 0.285 19632 3693 1 12 . 1 1 25 25 GLU N N 25 122.651 122.651 125.014 -2.363 19632 3694 1 12 . 1 1 25 25 GLU HA H 25 4.462 4.462 4.406 0.056 19632 3695 1 12 . 1 1 25 25 GLU CA C 25 55.548 55.548 55.312 0.235 19632 3696 1 12 . 1 1 25 25 GLU CB C 25 32.644 32.644 29.984 2.660 19632 3697 1 12 . 1 1 25 25 GLU H H 25 8.987 8.987 8.734 0.253 19632 3698 1 12 . 1 1 26 26 TYR N N 26 124.044 124.044 126.470 -2.426 19632 3699 1 12 . 1 1 26 26 TYR HA H 26 4.756 4.756 4.250 0.506 19632 3700 1 12 . 1 1 26 26 TYR CA C 26 58.317 58.317 58.778 -0.461 19632 3701 1 12 . 1 1 26 26 TYR CB C 26 38.543 38.543 37.993 0.550 19632 3702 1 12 . 1 1 26 26 TYR H H 26 8.930 8.930 8.984 -0.054 19632 3703 1 12 . 1 1 27 27 ARG N N 27 119.739 119.739 123.642 -3.903 19632 3704 1 12 . 1 1 27 27 ARG HA H 27 5.657 5.657 5.402 0.256 19632 3705 1 12 . 1 1 27 27 ARG CA C 27 53.860 53.860 54.638 -0.778 19632 3706 1 12 . 1 1 27 27 ARG CB C 27 36.310 36.310 34.087 2.223 19632 3707 1 12 . 1 1 27 27 ARG H H 27 8.496 8.496 8.215 0.281 19632 3708 1 12 . 1 1 28 28 VAL N N 28 115.698 115.698 124.007 -8.309 19632 3709 1 12 . 1 1 28 28 VAL HA H 28 4.526 4.526 4.578 -0.052 19632 3710 1 12 . 1 1 28 28 VAL CA C 28 60.002 60.002 61.375 -1.373 19632 3711 1 12 . 1 1 28 28 VAL CB C 28 34.889 34.889 33.794 1.095 19632 3712 1 12 . 1 1 28 28 VAL H H 28 8.716 8.716 8.354 0.362 19632 3713 1 12 . 1 1 29 29 ASN N N 29 128.827 128.827 127.645 1.182 19632 3714 1 12 . 1 1 29 29 ASN HA H 29 4.309 4.309 4.535 -0.226 19632 3715 1 12 . 1 1 29 29 ASN CA C 29 54.385 54.385 55.696 -1.311 19632 3716 1 12 . 1 1 29 29 ASN CB C 29 38.270 38.270 38.019 0.251 19632 3717 1 12 . 1 1 29 29 ASN H H 29 9.605 9.605 9.276 0.329 19632 3718 1 12 . 1 1 30 30 GLY N N 30 103.111 103.111 103.674 -0.563 19632 3719 1 12 . 1 1 30 30 GLY CA C 30 45.901 45.901 45.112 0.789 19632 3720 1 12 . 1 1 30 30 GLY H H 30 8.784 8.784 8.064 0.720 19632 3721 1 12 . 1 1 31 31 PHE N N 31 123.693 123.693 123.912 -0.219 19632 3722 1 12 . 1 1 31 31 PHE HA H 31 4.529 4.529 4.855 -0.326 19632 3723 1 12 . 1 1 31 31 PHE CA C 31 57.924 57.924 57.304 0.620 19632 3724 1 12 . 1 1 31 31 PHE CB C 31 40.207 40.207 40.441 -0.234 19632 3725 1 12 . 1 1 31 31 PHE H H 31 8.191 8.191 7.934 0.257 19632 3726 1 12 . 1 1 32 32 LEU N N 32 130.348 130.348 130.649 -0.301 19632 3727 1 12 . 1 1 32 32 LEU HA H 32 4.427 4.427 4.287 0.140 19632 3728 1 12 . 1 1 32 32 LEU CA C 32 55.517 55.517 54.606 0.911 19632 3729 1 12 . 1 1 32 32 LEU CB C 32 42.468 42.468 41.086 1.382 19632 3730 1 12 . 1 1 32 32 LEU H H 32 8.171 8.171 8.415 -0.244 19632 3731 1 12 . 1 1 33 33 TYR N N 33 124.923 124.923 120.069 4.854 19632 3732 1 12 . 1 1 33 33 TYR HA H 33 4.557 4.557 4.765 -0.208 19632 3733 1 12 . 1 1 33 33 TYR CA C 33 56.404 56.404 56.428 -0.024 19632 3734 1 12 . 1 1 33 33 TYR CB C 33 39.131 39.131 40.334 -1.203 19632 3735 1 12 . 1 1 33 33 TYR H H 33 8.415 8.415 8.541 -0.126 19632 3736 1 12 . 1 1 34 34 ALA N N 34 120.211 120.211 121.014 -0.803 19632 3737 1 12 . 1 1 34 34 ALA HA H 34 5.528 5.528 5.220 0.308 19632 3738 1 12 . 1 1 34 34 ALA CA C 34 52.196 52.196 51.660 0.535 19632 3739 1 12 . 1 1 34 34 ALA CB C 34 22.633 22.633 22.180 0.453 19632 3740 1 12 . 1 1 34 34 ALA H H 34 7.399 7.399 7.219 0.180 19632 3741 1 12 . 1 1 35 35 ILE N N 35 118.197 118.197 122.165 -3.968 19632 3742 1 12 . 1 1 35 35 ILE HA H 35 5.157 5.157 4.959 0.198 19632 3743 1 12 . 1 1 35 35 ILE CA C 35 60.000 60.000 60.141 -0.141 19632 3744 1 12 . 1 1 35 35 ILE CB C 35 43.639 43.639 41.643 1.996 19632 3745 1 12 . 1 1 35 35 ILE H H 35 9.224 9.224 8.819 0.405 19632 3746 1 12 . 1 1 36 36 LYS N N 36 127.872 127.872 128.922 -1.050 19632 3747 1 12 . 1 1 36 36 LYS HA H 36 4.204 4.204 4.605 -0.401 19632 3748 1 12 . 1 1 36 36 LYS CA C 36 55.245 55.245 54.442 0.803 19632 3749 1 12 . 1 1 36 36 LYS CB C 36 36.092 36.092 34.227 1.865 19632 3750 1 12 . 1 1 36 36 LYS H H 36 9.708 9.708 8.593 1.115 19632 3751 1 12 . 1 1 37 37 VAL N N 37 128.005 128.005 128.114 -0.109 19632 3752 1 12 . 1 1 37 37 VAL HA H 37 4.043 4.043 4.925 -0.882 19632 3753 1 12 . 1 1 37 37 VAL CA C 37 61.840 61.840 59.264 2.576 19632 3754 1 12 . 1 1 37 37 VAL CB C 37 32.523 32.523 33.971 -1.448 19632 3755 1 12 . 1 1 37 37 VAL H H 37 8.551 8.551 7.545 1.006 19632 3756 1 12 . 1 1 38 38 VAL N N 38 125.034 125.034 129.570 -4.536 19632 3757 1 12 . 1 1 38 38 VAL HA H 38 4.277 4.277 4.413 -0.136 19632 3758 1 12 . 1 1 38 38 VAL CA C 38 59.287 59.287 58.244 1.043 19632 3759 1 12 . 1 1 38 38 VAL CB C 38 32.568 32.568 31.128 1.440 19632 3760 1 12 . 1 1 38 38 VAL H H 38 8.668 8.668 8.910 -0.242 19632 3761 1 12 . 1 1 39 39 PRO HA H 39 4.565 4.565 5.033 -0.468 19632 3762 1 12 . 1 1 39 39 PRO CA C 39 62.202 62.202 61.662 0.540 19632 3763 1 12 . 1 1 39 39 PRO CB C 39 32.887 32.887 32.542 0.345 19632 3764 1 12 . 1 1 40 40 LYS N N 40 121.622 121.622 123.306 -1.684 19632 3765 1 12 . 1 1 40 40 LYS HA H 40 3.877 3.877 3.935 -0.058 19632 3766 1 12 . 1 1 40 40 LYS CA C 40 58.950 58.950 58.458 0.492 19632 3767 1 12 . 1 1 40 40 LYS CB C 40 32.988 32.988 32.484 0.503 19632 3768 1 12 . 1 1 40 40 LYS H H 40 8.275 8.275 8.531 -0.256 19632 3769 1 12 . 1 1 41 41 HIS N N 41 114.012 114.012 117.447 -3.435 19632 3770 1 12 . 1 1 41 41 HIS HA H 41 4.795 4.795 4.679 0.116 19632 3771 1 12 . 1 1 41 41 HIS CA C 41 54.904 54.904 55.190 -0.286 19632 3772 1 12 . 1 1 41 41 HIS CB C 41 30.835 30.835 29.324 1.511 19632 3773 1 12 . 1 1 41 41 HIS H H 41 8.040 8.040 8.002 0.038 19632 3774 1 12 . 1 1 42 42 GLY N N 42 109.068 109.068 109.546 -0.478 19632 3775 1 12 . 1 1 42 42 GLY CA C 42 44.482 44.482 44.810 -0.328 19632 3776 1 12 . 1 1 42 42 GLY H H 42 7.966 7.966 8.347 -0.381 19632 3777 1 12 . 1 1 43 43 LYS N N 43 120.287 120.287 119.212 1.075 19632 3778 1 12 . 1 1 43 43 LYS HA H 43 4.680 4.680 4.084 0.596 19632 3779 1 12 . 1 1 43 43 LYS CA C 43 54.392 54.392 56.308 -1.916 19632 3780 1 12 . 1 1 43 43 LYS CB C 43 33.511 33.511 32.022 1.489 19632 3781 1 12 . 1 1 43 43 LYS H H 43 8.209 8.209 8.101 0.108 19632 3782 1 12 . 1 1 44 44 PRO HA H 44 5.013 5.013 4.955 0.058 19632 3783 1 12 . 1 1 44 44 PRO CA C 44 62.744 62.744 62.894 -0.150 19632 3784 1 12 . 1 1 44 44 PRO CB C 44 33.747 33.747 32.111 1.636 19632 3785 1 12 . 1 1 45 45 TYR N N 45 115.140 115.140 119.376 -4.236 19632 3786 1 12 . 1 1 45 45 TYR HA H 45 4.897 4.897 4.798 0.099 19632 3787 1 12 . 1 1 45 45 TYR CA C 45 56.387 56.387 55.514 0.873 19632 3788 1 12 . 1 1 45 45 TYR CB C 45 40.574 40.574 40.333 0.241 19632 3789 1 12 . 1 1 45 45 TYR H H 45 8.176 8.176 8.097 0.079 19632 3790 1 12 . 1 1 46 46 PHE N N 46 115.001 115.001 118.673 -3.672 19632 3791 1 12 . 1 1 46 46 PHE HA H 46 5.662 5.662 4.761 0.901 19632 3792 1 12 . 1 1 46 46 PHE CA C 46 56.395 56.395 56.894 -0.499 19632 3793 1 12 . 1 1 46 46 PHE CB C 46 43.736 43.736 41.970 1.766 19632 3794 1 12 . 1 1 46 46 PHE H H 46 8.607 8.607 9.234 -0.627 19632 3795 1 12 . 1 1 47 47 LEU N N 47 121.747 121.747 126.056 -4.309 19632 3796 1 12 . 1 1 47 47 LEU HA H 47 5.339 5.339 5.227 0.112 19632 3797 1 12 . 1 1 47 47 LEU CA C 47 54.116 54.116 53.838 0.278 19632 3798 1 12 . 1 1 47 47 LEU CB C 47 44.357 44.357 44.466 -0.109 19632 3799 1 12 . 1 1 47 47 LEU H H 47 9.631 9.631 9.006 0.625 19632 3800 1 12 . 1 1 48 48 VAL N N 48 122.850 122.850 127.090 -4.240 19632 3801 1 12 . 1 1 48 48 VAL HA H 48 4.476 4.476 4.435 0.041 19632 3802 1 12 . 1 1 48 48 VAL CA C 48 61.559 61.559 61.334 0.225 19632 3803 1 12 . 1 1 48 48 VAL CB C 48 35.232 35.232 33.666 1.565 19632 3804 1 12 . 1 1 48 48 VAL H H 48 9.334 9.334 9.464 -0.130 19632 3805 1 12 . 1 1 49 49 ARG N N 49 129.488 129.488 127.422 2.066 19632 3806 1 12 . 1 1 49 49 ARG HA H 49 3.045 3.045 3.856 -0.811 19632 3807 1 12 . 1 1 49 49 ARG CA C 49 56.623 56.623 55.289 1.334 19632 3808 1 12 . 1 1 49 49 ARG CB C 49 31.326 31.326 30.420 0.906 19632 3809 1 12 . 1 1 49 49 ARG H H 49 8.451 8.451 8.660 -0.209 19632 3810 1 12 . 1 1 50 50 ALA N N 50 131.016 131.016 131.427 -0.411 19632 3811 1 12 . 1 1 50 50 ALA HA H 50 4.418 4.418 4.299 0.119 19632 3812 1 12 . 1 1 50 50 ALA CA C 50 51.502 51.502 51.429 0.073 19632 3813 1 12 . 1 1 50 50 ALA CB C 50 20.364 20.364 19.514 0.850 19632 3814 1 12 . 1 1 50 50 ALA H H 50 8.524 8.524 7.974 0.550 19632 3815 1 12 . 1 1 51 51 ASP N N 51 112.516 112.516 125.666 -13.150 19632 3816 1 12 . 1 1 51 51 ASP HA H 51 4.413 4.413 4.380 0.033 19632 3817 1 12 . 1 1 51 51 ASP CA C 51 54.301 54.301 55.730 -1.429 19632 3818 1 12 . 1 1 51 51 ASP CB C 51 41.710 41.710 41.184 0.526 19632 3819 1 12 . 1 1 51 51 ASP H H 51 8.597 8.597 8.659 -0.062 19632 3820 1 12 . 1 1 52 52 GLY N N 52 106.147 106.147 113.260 -7.113 19632 3821 1 12 . 1 1 52 52 GLY CA C 52 45.499 45.499 44.678 0.820 19632 3822 1 12 . 1 1 52 52 GLY H H 52 8.378 8.378 8.401 -0.023 19632 3823 1 12 . 1 1 53 53 SER N N 53 115.000 115.000 116.129 -1.129 19632 3824 1 12 . 1 1 53 53 SER HA H 53 4.439 4.439 4.096 0.343 19632 3825 1 12 . 1 1 53 53 SER CA C 53 60.282 60.282 59.489 0.793 19632 3826 1 12 . 1 1 53 53 SER CB C 53 64.175 64.175 62.007 2.168 19632 3827 1 12 . 1 1 53 53 SER H H 53 8.677 8.677 8.137 0.540 19632 3828 1 12 . 1 1 54 54 ASP N N 54 119.220 119.220 120.808 -1.588 19632 3829 1 12 . 1 1 54 54 ASP HA H 54 4.595 4.595 4.692 -0.097 19632 3830 1 12 . 1 1 54 54 ASP CA C 54 55.689 55.689 54.344 1.345 19632 3831 1 12 . 1 1 54 54 ASP CB C 54 41.326 41.326 40.661 0.665 19632 3832 1 12 . 1 1 54 54 ASP H H 54 8.364 8.364 8.338 0.026 19632 3833 1 12 . 1 1 55 55 GLY N N 55 107.460 107.460 108.440 -0.980 19632 3834 1 12 . 1 1 55 55 GLY CA C 55 47.210 47.210 45.386 1.824 19632 3835 1 12 . 1 1 55 55 GLY H H 55 7.801 7.801 8.400 -0.599 19632 3836 1 12 . 1 1 56 56 ASN N N 56 116.076 116.076 116.958 -0.882 19632 3837 1 12 . 1 1 56 56 ASN HA H 56 4.997 4.997 4.949 0.048 19632 3838 1 12 . 1 1 56 56 ASN CA C 56 53.235 53.235 52.570 0.665 19632 3839 1 12 . 1 1 56 56 ASN CB C 56 41.540 41.540 41.126 0.414 19632 3840 1 12 . 1 1 56 56 ASN H H 56 7.919 7.919 7.669 0.250 19632 3841 1 12 . 1 1 57 57 PHE N N 57 118.405 118.405 121.235 -2.830 19632 3842 1 12 . 1 1 57 57 PHE HA H 57 5.043 5.043 5.277 -0.234 19632 3843 1 12 . 1 1 57 57 PHE CA C 57 56.786 56.786 56.642 0.143 19632 3844 1 12 . 1 1 57 57 PHE CB C 57 44.374 44.374 43.747 0.627 19632 3845 1 12 . 1 1 57 57 PHE H H 57 9.203 9.203 8.093 1.110 19632 3846 1 12 . 1 1 58 58 ILE N N 58 118.503 118.503 120.599 -2.096 19632 3847 1 12 . 1 1 58 58 ILE HA H 58 4.507 4.507 4.655 -0.148 19632 3848 1 12 . 1 1 58 58 ILE CA C 58 60.493 60.493 58.628 1.865 19632 3849 1 12 . 1 1 58 58 ILE CB C 58 42.447 42.447 40.308 2.139 19632 3850 1 12 . 1 1 58 58 ILE H H 58 9.222 9.222 9.303 -0.081 19632 3851 1 12 . 1 1 59 59 ARG N N 59 126.283 126.283 126.381 -0.098 19632 3852 1 12 . 1 1 59 59 ARG HA H 59 5.111 5.111 5.325 -0.214 19632 3853 1 12 . 1 1 59 59 ARG CA C 59 55.839 55.839 54.642 1.197 19632 3854 1 12 . 1 1 59 59 ARG CB C 59 32.157 32.157 33.199 -1.042 19632 3855 1 12 . 1 1 59 59 ARG H H 59 9.298 9.298 8.183 1.115 19632 3856 1 12 . 1 1 60 60 SER N N 60 119.913 119.913 122.569 -2.656 19632 3857 1 12 . 1 1 60 60 SER HA H 60 3.887 3.887 4.303 -0.416 19632 3858 1 12 . 1 1 60 60 SER CA C 60 62.373 62.373 61.292 1.081 19632 3859 1 12 . 1 1 60 60 SER CB C 60 62.777 62.777 63.425 -0.647 19632 3860 1 12 . 1 1 60 60 SER H H 60 9.698 9.698 9.162 0.536 19632 3861 1 12 . 1 1 61 61 ASP N N 61 117.504 117.504 121.111 -3.607 19632 3862 1 12 . 1 1 61 61 ASP HA H 61 4.764 4.764 4.455 0.309 19632 3863 1 12 . 1 1 61 61 ASP CA C 61 53.789 53.789 55.846 -2.057 19632 3864 1 12 . 1 1 61 61 ASP CB C 61 40.082 40.082 41.175 -1.093 19632 3865 1 12 . 1 1 61 61 ASP H H 61 8.769 8.769 8.503 0.266 19632 3866 1 12 . 1 1 62 62 GLN N N 62 118.595 118.595 116.847 1.748 19632 3867 1 12 . 1 1 62 62 GLN HA H 62 4.779 4.779 4.756 0.023 19632 3868 1 12 . 1 1 62 62 GLN CA C 62 54.066 54.066 53.262 0.804 19632 3869 1 12 . 1 1 62 62 GLN CB C 62 30.309 30.309 30.075 0.234 19632 3870 1 12 . 1 1 62 62 GLN H H 62 7.467 7.467 7.858 -0.391 19632 3871 1 12 . 1 1 63 63 PRO HA H 63 4.662 4.662 4.610 0.052 19632 3872 1 12 . 1 1 63 63 PRO CB C 63 32.293 32.293 32.088 0.205 19632 3873 1 12 . 1 1 64 64 ASP N N 64 116.697 116.697 118.806 -2.109 19632 3874 1 12 . 1 1 64 64 ASP HA H 64 4.662 4.662 4.670 -0.008 19632 3875 1 12 . 1 1 64 64 ASP CA C 64 54.449 54.449 53.584 0.865 19632 3876 1 12 . 1 1 64 64 ASP CB C 64 41.201 41.201 40.288 0.913 19632 3877 1 12 . 1 1 64 64 ASP H H 64 8.389 8.389 8.279 0.110 19632 3878 1 12 . 1 1 65 65 LYS N N 65 119.781 119.781 120.271 -0.490 19632 3879 1 12 . 1 1 65 65 LYS HA H 65 4.547 4.547 4.443 0.104 19632 3880 1 12 . 1 1 65 65 LYS CA C 65 55.469 55.469 55.348 0.121 19632 3881 1 12 . 1 1 65 65 LYS CB C 65 34.796 34.796 34.449 0.347 19632 3882 1 12 . 1 1 65 65 LYS H H 65 7.592 7.592 7.457 0.135 19632 3883 1 12 . 1 1 66 66 LEU N N 66 125.131 125.131 126.412 -1.281 19632 3884 1 12 . 1 1 66 66 LEU HA H 66 4.708 4.708 4.284 0.424 19632 3885 1 12 . 1 1 66 66 LEU CA C 66 54.496 54.496 54.966 -0.470 19632 3886 1 12 . 1 1 66 66 LEU CB C 66 44.010 44.010 42.222 1.788 19632 3887 1 12 . 1 1 66 66 LEU H H 66 8.300 8.300 8.491 -0.191 19632 3888 1 12 . 1 1 67 67 ILE N N 67 124.524 124.524 126.237 -1.713 19632 3889 1 12 . 1 1 67 67 ILE HA H 67 4.447 4.447 4.381 0.066 19632 3890 1 12 . 1 1 67 67 ILE CA C 67 57.824 57.824 57.600 0.224 19632 3891 1 12 . 1 1 67 67 ILE CB C 67 40.744 40.744 38.032 2.712 19632 3892 1 12 . 1 1 67 67 ILE H H 67 9.427 9.427 9.088 0.339 19632 3893 1 12 . 1 1 68 68 PRO HA H 68 4.649 4.649 4.301 0.348 19632 3894 1 12 . 1 1 68 68 PRO CB C 68 32.644 32.644 32.006 0.638 19632 3895 1 12 . 1 1 69 69 GLN N N 69 119.126 119.126 117.092 2.034 19632 3896 1 12 . 1 1 69 69 GLN HA H 69 3.730 3.730 4.277 -0.547 19632 3897 1 12 . 1 1 69 69 GLN CA C 69 59.447 59.447 56.750 2.697 19632 3898 1 12 . 1 1 69 69 GLN CB C 69 28.819 28.819 28.770 0.049 19632 3899 1 12 . 1 1 69 69 GLN H H 69 8.386 8.386 8.277 0.109 19632 3900 1 12 . 1 1 70 70 TRP N N 70 112.076 112.076 116.614 -4.538 19632 3901 1 12 . 1 1 70 70 TRP HA H 70 4.525 4.525 4.927 -0.402 19632 3902 1 12 . 1 1 70 70 TRP CA C 70 58.197 58.197 57.590 0.607 19632 3903 1 12 . 1 1 70 70 TRP CB C 70 28.016 28.016 29.278 -1.262 19632 3904 1 12 . 1 1 70 70 TRP H H 70 6.972 6.972 7.351 -0.379 19632 3905 1 12 . 1 1 71 71 GLU N N 71 119.388 119.388 121.173 -1.785 19632 3906 1 12 . 1 1 71 71 GLU HA H 71 4.249 4.249 4.344 -0.095 19632 3907 1 12 . 1 1 71 71 GLU CA C 71 56.654 56.654 58.064 -1.410 19632 3908 1 12 . 1 1 71 71 GLU CB C 71 30.938 30.938 29.156 1.782 19632 3909 1 12 . 1 1 71 71 GLU H H 71 7.386 7.386 7.576 -0.190 19632 3910 1 12 . 1 1 72 72 ILE N N 72 115.759 115.759 115.404 0.355 19632 3911 1 12 . 1 1 72 72 ILE HA H 72 3.324 3.324 3.876 -0.552 19632 3912 1 12 . 1 1 72 72 ILE CA C 72 64.205 64.205 63.802 0.403 19632 3913 1 12 . 1 1 72 72 ILE CB C 72 38.012 38.012 37.644 0.368 19632 3914 1 12 . 1 1 72 72 ILE H H 72 6.754 6.754 7.302 -0.548 19632 3915 1 12 . 1 1 73 73 PHE N N 73 115.942 115.942 118.236 -2.294 19632 3916 1 12 . 1 1 73 73 PHE HA H 73 4.248 4.248 4.088 0.160 19632 3917 1 12 . 1 1 73 73 PHE CA C 73 56.514 56.514 56.873 -0.359 19632 3918 1 12 . 1 1 73 73 PHE CB C 73 38.479 38.479 38.914 -0.435 19632 3919 1 12 . 1 1 73 73 PHE H H 73 7.388 7.388 7.643 -0.255 19632 3920 1 12 . 1 1 74 74 SER N N 74 114.787 114.787 116.155 -1.368 19632 3921 1 12 . 1 1 74 74 SER HA H 74 4.358 4.358 4.229 0.129 19632 3922 1 12 . 1 1 74 74 SER CA C 74 58.265 58.265 61.161 -2.896 19632 3923 1 12 . 1 1 74 74 SER CB C 74 63.783 63.783 63.596 0.187 19632 3924 1 12 . 1 1 74 74 SER H H 74 7.203 7.203 7.530 -0.327 19632 3925 1 13 . 1 1 2 2 ALA HA H 2 4.290 4.290 4.430 -0.140 19632 3926 1 13 . 1 1 2 2 ALA CA C 2 53.589 53.589 51.584 2.005 19632 3927 1 13 . 1 1 2 2 ALA CB C 2 19.556 19.556 19.185 0.371 19632 3928 1 13 . 1 1 5 5 ASP N N 5 116.992 116.992 121.927 -4.935 19632 3929 1 13 . 1 1 5 5 ASP HA H 5 4.622 4.622 4.678 -0.056 19632 3930 1 13 . 1 1 5 5 ASP CA C 5 54.508 54.508 53.674 0.834 19632 3931 1 13 . 1 1 5 5 ASP CB C 5 41.375 41.375 40.339 1.036 19632 3932 1 13 . 1 1 5 5 ASP H H 5 8.372 8.372 8.013 0.359 19632 3933 1 13 . 1 1 6 6 ALA N N 6 124.275 124.275 125.517 -1.242 19632 3934 1 13 . 1 1 6 6 ALA HA H 6 4.582 4.582 4.543 0.039 19632 3935 1 13 . 1 1 6 6 ALA CA C 6 48.068 48.068 50.742 -2.674 19632 3936 1 13 . 1 1 6 6 ALA CB C 6 18.765 18.765 20.260 -1.495 19632 3937 1 13 . 1 1 6 6 ALA H H 6 7.984 7.984 7.563 0.421 19632 3938 1 13 . 1 1 7 7 PRO HA H 7 4.486 4.486 4.604 -0.118 19632 3939 1 13 . 1 1 7 7 PRO CA C 7 63.406 63.406 62.102 1.304 19632 3940 1 13 . 1 1 7 7 PRO CB C 7 32.491 32.491 32.616 -0.125 19632 3941 1 13 . 1 1 8 8 SER N N 8 115.947 115.947 115.940 0.007 19632 3942 1 13 . 1 1 8 8 SER HA H 8 4.483 4.483 4.261 0.222 19632 3943 1 13 . 1 1 8 8 SER CA C 8 58.635 58.635 59.745 -1.110 19632 3944 1 13 . 1 1 8 8 SER CB C 8 64.447 64.447 62.605 1.842 19632 3945 1 13 . 1 1 8 8 SER H H 8 8.424 8.424 8.388 0.036 19632 3946 1 13 . 1 1 9 9 GLY N N 9 109.902 109.902 112.529 -2.627 19632 3947 1 13 . 1 1 9 9 GLY CA C 9 45.804 45.804 45.500 0.304 19632 3948 1 13 . 1 1 9 9 GLY H H 9 8.352 8.352 7.886 0.466 19632 3949 1 13 . 1 1 10 10 GLU N N 10 119.364 119.364 120.206 -0.842 19632 3950 1 13 . 1 1 10 10 GLU HA H 10 4.808 4.808 4.759 0.049 19632 3951 1 13 . 1 1 10 10 GLU CA C 10 53.481 53.481 52.343 1.137 19632 3952 1 13 . 1 1 10 10 GLU CB C 10 30.956 30.956 29.558 1.397 19632 3953 1 13 . 1 1 10 10 GLU H H 10 8.071 8.071 8.113 -0.042 19632 3954 1 13 . 1 1 11 11 PRO HA H 11 5.012 5.012 4.971 0.041 19632 3955 1 13 . 1 1 11 11 PRO CA C 11 63.350 63.350 62.552 0.798 19632 3956 1 13 . 1 1 11 11 PRO CB C 11 34.176 34.176 32.178 1.998 19632 3957 1 13 . 1 1 12 12 ASP N N 12 122.007 122.007 124.211 -2.204 19632 3958 1 13 . 1 1 12 12 ASP HA H 12 5.030 5.030 4.848 0.182 19632 3959 1 13 . 1 1 12 12 ASP CA C 12 53.249 53.249 52.409 0.840 19632 3960 1 13 . 1 1 12 12 ASP CB C 12 45.006 45.006 44.318 0.688 19632 3961 1 13 . 1 1 12 12 ASP H H 12 9.396 9.396 8.233 1.163 19632 3962 1 13 . 1 1 13 13 VAL N N 13 120.517 120.517 123.179 -2.662 19632 3963 1 13 . 1 1 13 13 VAL HA H 13 5.090 5.090 4.558 0.532 19632 3964 1 13 . 1 1 13 13 VAL CA C 13 59.653 59.653 60.548 -0.895 19632 3965 1 13 . 1 1 13 13 VAL CB C 13 35.347 35.347 33.564 1.783 19632 3966 1 13 . 1 1 13 13 VAL H H 13 8.402 8.402 8.369 0.033 19632 3967 1 13 . 1 1 14 14 THR N N 14 122.388 122.388 126.498 -4.110 19632 3968 1 13 . 1 1 14 14 THR HA H 14 4.465 4.465 4.324 0.141 19632 3969 1 13 . 1 1 14 14 THR CA C 14 61.591 61.591 62.796 -1.205 19632 3970 1 13 . 1 1 14 14 THR CB C 14 71.537 71.537 68.612 2.925 19632 3971 1 13 . 1 1 14 14 THR H H 14 8.397 8.397 8.830 -0.433 19632 3972 1 13 . 1 1 15 15 ILE N N 15 125.929 125.929 128.813 -2.884 19632 3973 1 13 . 1 1 15 15 ILE HA H 15 4.882 4.882 4.036 0.846 19632 3974 1 13 . 1 1 15 15 ILE CA C 15 60.655 60.655 61.180 -0.525 19632 3975 1 13 . 1 1 15 15 ILE CB C 15 40.004 40.004 37.836 2.168 19632 3976 1 13 . 1 1 15 15 ILE H H 15 8.628 8.628 8.438 0.190 19632 3977 1 13 . 1 1 16 16 ARG N N 16 125.332 125.332 128.624 -3.292 19632 3978 1 13 . 1 1 16 16 ARG HA H 16 4.662 4.662 4.756 -0.094 19632 3979 1 13 . 1 1 16 16 ARG CA C 16 54.731 54.731 52.795 1.935 19632 3980 1 13 . 1 1 16 16 ARG CB C 16 33.731 33.731 33.404 0.327 19632 3981 1 13 . 1 1 16 16 ARG H H 16 9.057 9.057 8.604 0.453 19632 3982 1 13 . 1 1 17 17 GLN N N 17 121.044 121.044 120.082 0.962 19632 3983 1 13 . 1 1 17 17 GLN HA H 17 4.803 4.803 4.763 0.040 19632 3984 1 13 . 1 1 17 17 GLN CA C 17 55.241 55.241 55.371 -0.130 19632 3985 1 13 . 1 1 17 17 GLN CB C 17 30.461 30.461 30.974 -0.513 19632 3986 1 13 . 1 1 17 17 GLN H H 17 8.508 8.508 8.547 -0.039 19632 3987 1 13 . 1 1 18 18 GLU N N 18 125.409 125.409 126.830 -1.421 19632 3988 1 13 . 1 1 18 18 GLU HA H 18 4.529 4.529 4.537 -0.008 19632 3989 1 13 . 1 1 18 18 GLU CA C 18 55.018 55.018 54.164 0.854 19632 3990 1 13 . 1 1 18 18 GLU CB C 18 31.654 31.654 29.466 2.188 19632 3991 1 13 . 1 1 18 18 GLU H H 18 8.394 8.394 8.990 -0.596 19632 3992 1 13 . 1 1 19 19 GLY N N 19 114.286 114.286 111.501 2.785 19632 3993 1 13 . 1 1 19 19 GLY CA C 19 47.887 47.887 46.259 1.628 19632 3994 1 13 . 1 1 19 19 GLY H H 19 8.804 8.804 7.878 0.926 19632 3995 1 13 . 1 1 20 20 ASP N N 20 124.137 124.137 124.579 -0.442 19632 3996 1 13 . 1 1 20 20 ASP HA H 20 4.536 4.536 4.785 -0.249 19632 3997 1 13 . 1 1 20 20 ASP CA C 20 54.019 54.019 54.607 -0.588 19632 3998 1 13 . 1 1 20 20 ASP CB C 20 41.053 41.053 40.956 0.097 19632 3999 1 13 . 1 1 20 20 ASP H H 20 8.519 8.519 8.425 0.094 19632 4000 1 13 . 1 1 21 21 LYS N N 21 116.711 116.711 116.796 -0.085 19632 4001 1 13 . 1 1 21 21 LYS HA H 21 4.648 4.648 5.119 -0.471 19632 4002 1 13 . 1 1 21 21 LYS CA C 21 55.468 55.468 54.733 0.735 19632 4003 1 13 . 1 1 21 21 LYS CB C 21 34.941 34.941 35.607 -0.666 19632 4004 1 13 . 1 1 21 21 LYS H H 21 7.696 7.696 7.517 0.179 19632 4005 1 13 . 1 1 22 22 THR N N 22 118.655 118.655 121.357 -2.702 19632 4006 1 13 . 1 1 22 22 THR HA H 22 4.541 4.541 4.652 -0.111 19632 4007 1 13 . 1 1 22 22 THR CA C 22 62.936 62.936 63.169 -0.233 19632 4008 1 13 . 1 1 22 22 THR CB C 22 70.275 70.275 68.875 1.400 19632 4009 1 13 . 1 1 22 22 THR H H 22 7.994 7.994 8.682 -0.688 19632 4010 1 13 . 1 1 23 23 ILE N N 23 126.114 126.114 129.179 -3.065 19632 4011 1 13 . 1 1 23 23 ILE HA H 23 4.699 4.699 4.107 0.592 19632 4012 1 13 . 1 1 23 23 ILE CA C 23 59.119 59.119 60.498 -1.379 19632 4013 1 13 . 1 1 23 23 ILE CB C 23 40.729 40.729 37.796 2.933 19632 4014 1 13 . 1 1 23 23 ILE H H 23 8.957 8.957 9.027 -0.070 19632 4015 1 13 . 1 1 24 24 GLN N N 24 123.560 123.560 127.675 -4.115 19632 4016 1 13 . 1 1 24 24 GLN HA H 24 5.121 5.121 4.793 0.328 19632 4017 1 13 . 1 1 24 24 GLN CA C 24 53.653 53.653 54.127 -0.474 19632 4018 1 13 . 1 1 24 24 GLN CB C 24 30.573 30.573 30.206 0.367 19632 4019 1 13 . 1 1 24 24 GLN H H 24 8.932 8.932 8.628 0.304 19632 4020 1 13 . 1 1 25 25 GLU N N 25 122.651 122.651 124.845 -2.194 19632 4021 1 13 . 1 1 25 25 GLU HA H 25 4.462 4.462 4.432 0.030 19632 4022 1 13 . 1 1 25 25 GLU CA C 25 55.548 55.548 55.540 0.008 19632 4023 1 13 . 1 1 25 25 GLU CB C 25 32.644 32.644 30.245 2.399 19632 4024 1 13 . 1 1 25 25 GLU H H 25 8.987 8.987 8.870 0.117 19632 4025 1 13 . 1 1 26 26 TYR N N 26 124.044 124.044 126.822 -2.778 19632 4026 1 13 . 1 1 26 26 TYR HA H 26 4.756 4.756 4.358 0.398 19632 4027 1 13 . 1 1 26 26 TYR CA C 26 58.317 58.317 58.974 -0.657 19632 4028 1 13 . 1 1 26 26 TYR CB C 26 38.543 38.543 37.228 1.315 19632 4029 1 13 . 1 1 26 26 TYR H H 26 8.930 8.930 9.118 -0.188 19632 4030 1 13 . 1 1 27 27 ARG N N 27 119.739 119.739 123.810 -4.071 19632 4031 1 13 . 1 1 27 27 ARG HA H 27 5.657 5.657 5.257 0.400 19632 4032 1 13 . 1 1 27 27 ARG CA C 27 53.860 53.860 54.795 -0.935 19632 4033 1 13 . 1 1 27 27 ARG CB C 27 36.310 36.310 33.672 2.638 19632 4034 1 13 . 1 1 27 27 ARG H H 27 8.496 8.496 8.120 0.376 19632 4035 1 13 . 1 1 28 28 VAL N N 28 115.698 115.698 121.845 -6.147 19632 4036 1 13 . 1 1 28 28 VAL HA H 28 4.526 4.526 4.352 0.174 19632 4037 1 13 . 1 1 28 28 VAL CA C 28 60.002 60.002 62.303 -2.301 19632 4038 1 13 . 1 1 28 28 VAL CB C 28 34.889 34.889 33.490 1.399 19632 4039 1 13 . 1 1 28 28 VAL H H 28 8.716 8.716 8.308 0.408 19632 4040 1 13 . 1 1 29 29 ASN N N 29 128.827 128.827 117.581 11.246 19632 4041 1 13 . 1 1 29 29 ASN HA H 29 4.309 4.309 4.829 -0.520 19632 4042 1 13 . 1 1 29 29 ASN CA C 29 54.385 54.385 53.634 0.751 19632 4043 1 13 . 1 1 29 29 ASN CB C 29 38.270 38.270 38.487 -0.217 19632 4044 1 13 . 1 1 29 29 ASN H H 29 9.605 9.605 7.941 1.664 19632 4045 1 13 . 1 1 30 30 GLY N N 30 103.111 103.111 108.976 -5.865 19632 4046 1 13 . 1 1 30 30 GLY CA C 30 45.901 45.901 45.486 0.415 19632 4047 1 13 . 1 1 30 30 GLY H H 30 8.784 8.784 8.506 0.278 19632 4048 1 13 . 1 1 31 31 PHE N N 31 123.693 123.693 122.559 1.134 19632 4049 1 13 . 1 1 31 31 PHE HA H 31 4.529 4.529 4.839 -0.310 19632 4050 1 13 . 1 1 31 31 PHE CA C 31 57.924 57.924 56.924 1.000 19632 4051 1 13 . 1 1 31 31 PHE CB C 31 40.207 40.207 40.198 0.009 19632 4052 1 13 . 1 1 31 31 PHE H H 31 8.191 8.191 7.805 0.386 19632 4053 1 13 . 1 1 32 32 LEU N N 32 130.348 130.348 129.473 0.875 19632 4054 1 13 . 1 1 32 32 LEU HA H 32 4.427 4.427 4.325 0.102 19632 4055 1 13 . 1 1 32 32 LEU CA C 32 55.517 55.517 54.688 0.829 19632 4056 1 13 . 1 1 32 32 LEU CB C 32 42.468 42.468 41.348 1.120 19632 4057 1 13 . 1 1 32 32 LEU H H 32 8.171 8.171 8.163 0.008 19632 4058 1 13 . 1 1 33 33 TYR N N 33 124.923 124.923 120.834 4.089 19632 4059 1 13 . 1 1 33 33 TYR HA H 33 4.557 4.557 4.814 -0.257 19632 4060 1 13 . 1 1 33 33 TYR CA C 33 56.404 56.404 56.422 -0.018 19632 4061 1 13 . 1 1 33 33 TYR CB C 33 39.131 39.131 40.149 -1.018 19632 4062 1 13 . 1 1 33 33 TYR H H 33 8.415 8.415 8.563 -0.148 19632 4063 1 13 . 1 1 34 34 ALA N N 34 120.211 120.211 120.931 -0.720 19632 4064 1 13 . 1 1 34 34 ALA HA H 34 5.528 5.528 5.501 0.027 19632 4065 1 13 . 1 1 34 34 ALA CA C 34 52.196 52.196 51.206 0.990 19632 4066 1 13 . 1 1 34 34 ALA CB C 34 22.633 22.633 21.998 0.635 19632 4067 1 13 . 1 1 34 34 ALA H H 34 7.399 7.399 7.220 0.179 19632 4068 1 13 . 1 1 35 35 ILE N N 35 118.197 118.197 122.873 -4.676 19632 4069 1 13 . 1 1 35 35 ILE HA H 35 5.157 5.157 4.961 0.196 19632 4070 1 13 . 1 1 35 35 ILE CA C 35 60.000 60.000 59.985 0.015 19632 4071 1 13 . 1 1 35 35 ILE CB C 35 43.639 43.639 40.818 2.821 19632 4072 1 13 . 1 1 35 35 ILE H H 35 9.224 9.224 8.672 0.552 19632 4073 1 13 . 1 1 36 36 LYS N N 36 127.872 127.872 129.564 -1.692 19632 4074 1 13 . 1 1 36 36 LYS HA H 36 4.204 4.204 4.539 -0.335 19632 4075 1 13 . 1 1 36 36 LYS CA C 36 55.245 55.245 54.722 0.523 19632 4076 1 13 . 1 1 36 36 LYS CB C 36 36.092 36.092 33.616 2.476 19632 4077 1 13 . 1 1 36 36 LYS H H 36 9.708 9.708 8.643 1.065 19632 4078 1 13 . 1 1 37 37 VAL N N 37 128.005 128.005 128.136 -0.131 19632 4079 1 13 . 1 1 37 37 VAL HA H 37 4.043 4.043 4.600 -0.557 19632 4080 1 13 . 1 1 37 37 VAL CA C 37 61.840 61.840 59.471 2.369 19632 4081 1 13 . 1 1 37 37 VAL CB C 37 32.523 32.523 34.005 -1.482 19632 4082 1 13 . 1 1 37 37 VAL H H 37 8.551 8.551 7.655 0.896 19632 4083 1 13 . 1 1 38 38 VAL N N 38 125.034 125.034 129.739 -4.705 19632 4084 1 13 . 1 1 38 38 VAL HA H 38 4.277 4.277 4.405 -0.128 19632 4085 1 13 . 1 1 38 38 VAL CA C 38 59.287 59.287 58.462 0.825 19632 4086 1 13 . 1 1 38 38 VAL CB C 38 32.568 32.568 30.795 1.773 19632 4087 1 13 . 1 1 38 38 VAL H H 38 8.668 8.668 8.939 -0.271 19632 4088 1 13 . 1 1 39 39 PRO HA H 39 4.565 4.565 5.227 -0.662 19632 4089 1 13 . 1 1 39 39 PRO CA C 39 62.202 62.202 61.258 0.944 19632 4090 1 13 . 1 1 39 39 PRO CB C 39 32.887 32.887 33.690 -0.803 19632 4091 1 13 . 1 1 40 40 LYS N N 40 121.622 121.622 119.682 1.940 19632 4092 1 13 . 1 1 40 40 LYS HA H 40 3.877 3.877 4.002 -0.125 19632 4093 1 13 . 1 1 40 40 LYS CA C 40 58.950 58.950 57.581 1.369 19632 4094 1 13 . 1 1 40 40 LYS CB C 40 32.988 32.988 32.397 0.591 19632 4095 1 13 . 1 1 40 40 LYS H H 40 8.275 8.275 8.599 -0.324 19632 4096 1 13 . 1 1 41 41 HIS N N 41 114.012 114.012 118.022 -4.010 19632 4097 1 13 . 1 1 41 41 HIS HA H 41 4.795 4.795 4.664 0.131 19632 4098 1 13 . 1 1 41 41 HIS CA C 41 54.904 54.904 55.287 -0.383 19632 4099 1 13 . 1 1 41 41 HIS CB C 41 30.835 30.835 29.117 1.718 19632 4100 1 13 . 1 1 41 41 HIS H H 41 8.040 8.040 7.910 0.130 19632 4101 1 13 . 1 1 42 42 GLY N N 42 109.068 109.068 110.987 -1.919 19632 4102 1 13 . 1 1 42 42 GLY CA C 42 44.482 44.482 44.627 -0.145 19632 4103 1 13 . 1 1 42 42 GLY H H 42 7.966 7.966 8.527 -0.561 19632 4104 1 13 . 1 1 43 43 LYS N N 43 120.287 120.287 118.591 1.696 19632 4105 1 13 . 1 1 43 43 LYS HA H 43 4.680 4.680 4.072 0.608 19632 4106 1 13 . 1 1 43 43 LYS CA C 43 54.392 54.392 56.295 -1.903 19632 4107 1 13 . 1 1 43 43 LYS CB C 43 33.511 33.511 31.787 1.724 19632 4108 1 13 . 1 1 43 43 LYS H H 43 8.209 8.209 7.635 0.574 19632 4109 1 13 . 1 1 44 44 PRO HA H 44 5.013 5.013 4.797 0.216 19632 4110 1 13 . 1 1 44 44 PRO CA C 44 62.744 62.744 63.023 -0.279 19632 4111 1 13 . 1 1 44 44 PRO CB C 44 33.747 33.747 31.941 1.806 19632 4112 1 13 . 1 1 45 45 TYR N N 45 115.140 115.140 118.643 -3.503 19632 4113 1 13 . 1 1 45 45 TYR HA H 45 4.897 4.897 4.799 0.098 19632 4114 1 13 . 1 1 45 45 TYR CA C 45 56.387 56.387 55.080 1.307 19632 4115 1 13 . 1 1 45 45 TYR CB C 45 40.574 40.574 40.151 0.423 19632 4116 1 13 . 1 1 45 45 TYR H H 45 8.176 8.176 8.247 -0.071 19632 4117 1 13 . 1 1 46 46 PHE N N 46 115.001 115.001 118.873 -3.872 19632 4118 1 13 . 1 1 46 46 PHE HA H 46 5.662 5.662 4.788 0.874 19632 4119 1 13 . 1 1 46 46 PHE CA C 46 56.395 56.395 56.599 -0.204 19632 4120 1 13 . 1 1 46 46 PHE CB C 46 43.736 43.736 40.815 2.921 19632 4121 1 13 . 1 1 46 46 PHE H H 46 8.607 8.607 9.074 -0.467 19632 4122 1 13 . 1 1 47 47 LEU N N 47 121.747 121.747 125.335 -3.588 19632 4123 1 13 . 1 1 47 47 LEU HA H 47 5.339 5.339 4.846 0.493 19632 4124 1 13 . 1 1 47 47 LEU CA C 47 54.116 54.116 54.063 0.053 19632 4125 1 13 . 1 1 47 47 LEU CB C 47 44.357 44.357 41.757 2.600 19632 4126 1 13 . 1 1 47 47 LEU H H 47 9.631 9.631 9.000 0.631 19632 4127 1 13 . 1 1 48 48 VAL N N 48 122.850 122.850 125.806 -2.956 19632 4128 1 13 . 1 1 48 48 VAL HA H 48 4.476 4.476 4.553 -0.078 19632 4129 1 13 . 1 1 48 48 VAL CA C 48 61.559 61.559 62.149 -0.590 19632 4130 1 13 . 1 1 48 48 VAL CB C 48 35.232 35.232 33.151 2.081 19632 4131 1 13 . 1 1 48 48 VAL H H 48 9.334 9.334 9.385 -0.051 19632 4132 1 13 . 1 1 49 49 ARG N N 49 129.488 129.488 127.774 1.714 19632 4133 1 13 . 1 1 49 49 ARG HA H 49 3.045 3.045 4.279 -1.234 19632 4134 1 13 . 1 1 49 49 ARG CA C 49 56.623 56.623 54.556 2.067 19632 4135 1 13 . 1 1 49 49 ARG CB C 49 31.326 31.326 29.535 1.791 19632 4136 1 13 . 1 1 49 49 ARG H H 49 8.451 8.451 8.807 -0.356 19632 4137 1 13 . 1 1 50 50 ALA N N 50 131.016 131.016 129.504 1.512 19632 4138 1 13 . 1 1 50 50 ALA HA H 50 4.418 4.418 4.310 0.108 19632 4139 1 13 . 1 1 50 50 ALA CA C 50 51.502 51.502 51.500 0.002 19632 4140 1 13 . 1 1 50 50 ALA CB C 50 20.364 20.364 19.906 0.458 19632 4141 1 13 . 1 1 50 50 ALA H H 50 8.524 8.524 8.344 0.180 19632 4142 1 13 . 1 1 51 51 ASP N N 51 112.516 112.516 119.189 -6.673 19632 4143 1 13 . 1 1 51 51 ASP HA H 51 4.413 4.413 4.410 0.003 19632 4144 1 13 . 1 1 51 51 ASP CA C 51 54.301 54.301 54.705 -0.404 19632 4145 1 13 . 1 1 51 51 ASP CB C 51 41.710 41.710 40.753 0.957 19632 4146 1 13 . 1 1 51 51 ASP H H 51 8.597 8.597 8.192 0.405 19632 4147 1 13 . 1 1 52 52 GLY N N 52 106.147 106.147 111.030 -4.883 19632 4148 1 13 . 1 1 52 52 GLY CA C 52 45.499 45.499 44.396 1.103 19632 4149 1 13 . 1 1 52 52 GLY H H 52 8.378 8.378 8.321 0.057 19632 4150 1 13 . 1 1 53 53 SER N N 53 115.000 115.000 117.515 -2.515 19632 4151 1 13 . 1 1 53 53 SER HA H 53 4.439 4.439 4.404 0.035 19632 4152 1 13 . 1 1 53 53 SER CA C 53 60.282 60.282 57.757 2.525 19632 4153 1 13 . 1 1 53 53 SER CB C 53 64.175 64.175 63.202 0.973 19632 4154 1 13 . 1 1 53 53 SER H H 53 8.677 8.677 8.630 0.047 19632 4155 1 13 . 1 1 54 54 ASP N N 54 119.220 119.220 121.380 -2.160 19632 4156 1 13 . 1 1 54 54 ASP HA H 54 4.595 4.595 4.464 0.131 19632 4157 1 13 . 1 1 54 54 ASP CA C 54 55.689 55.689 55.114 0.575 19632 4158 1 13 . 1 1 54 54 ASP CB C 54 41.326 41.326 41.205 0.122 19632 4159 1 13 . 1 1 54 54 ASP H H 54 8.364 8.364 7.972 0.392 19632 4160 1 13 . 1 1 55 55 GLY N N 55 107.460 107.460 104.968 2.492 19632 4161 1 13 . 1 1 55 55 GLY CA C 55 47.210 47.210 44.735 2.475 19632 4162 1 13 . 1 1 55 55 GLY H H 55 7.801 7.801 8.212 -0.411 19632 4163 1 13 . 1 1 56 56 ASN N N 56 116.076 116.076 121.256 -5.180 19632 4164 1 13 . 1 1 56 56 ASN HA H 56 4.997 4.997 5.372 -0.375 19632 4165 1 13 . 1 1 56 56 ASN CA C 56 53.235 53.235 52.862 0.373 19632 4166 1 13 . 1 1 56 56 ASN CB C 56 41.540 41.540 39.453 2.087 19632 4167 1 13 . 1 1 56 56 ASN H H 56 7.919 7.919 7.907 0.012 19632 4168 1 13 . 1 1 57 57 PHE N N 57 118.405 118.405 122.167 -3.762 19632 4169 1 13 . 1 1 57 57 PHE HA H 57 5.043 5.043 5.042 0.001 19632 4170 1 13 . 1 1 57 57 PHE CA C 57 56.786 56.786 57.331 -0.545 19632 4171 1 13 . 1 1 57 57 PHE CB C 57 44.374 44.374 43.275 1.099 19632 4172 1 13 . 1 1 57 57 PHE H H 57 9.203 9.203 9.028 0.175 19632 4173 1 13 . 1 1 58 58 ILE N N 58 118.503 118.503 119.827 -1.324 19632 4174 1 13 . 1 1 58 58 ILE HA H 58 4.507 4.507 4.666 -0.159 19632 4175 1 13 . 1 1 58 58 ILE CA C 58 60.493 60.493 58.799 1.694 19632 4176 1 13 . 1 1 58 58 ILE CB C 58 42.447 42.447 39.426 3.021 19632 4177 1 13 . 1 1 58 58 ILE H H 58 9.222 9.222 9.211 0.011 19632 4178 1 13 . 1 1 59 59 ARG N N 59 126.283 126.283 126.462 -0.179 19632 4179 1 13 . 1 1 59 59 ARG HA H 59 5.111 5.111 5.510 -0.399 19632 4180 1 13 . 1 1 59 59 ARG CA C 59 55.839 55.839 55.285 0.554 19632 4181 1 13 . 1 1 59 59 ARG CB C 59 32.157 32.157 31.900 0.257 19632 4182 1 13 . 1 1 59 59 ARG H H 59 9.298 9.298 8.674 0.624 19632 4183 1 13 . 1 1 60 60 SER N N 60 119.913 119.913 117.877 2.036 19632 4184 1 13 . 1 1 60 60 SER HA H 60 3.887 3.887 4.301 -0.414 19632 4185 1 13 . 1 1 60 60 SER CA C 60 62.373 62.373 60.995 1.378 19632 4186 1 13 . 1 1 60 60 SER CB C 60 62.777 62.777 63.344 -0.567 19632 4187 1 13 . 1 1 60 60 SER H H 60 9.698 9.698 8.621 1.077 19632 4188 1 13 . 1 1 61 61 ASP N N 61 117.504 117.504 120.686 -3.182 19632 4189 1 13 . 1 1 61 61 ASP HA H 61 4.764 4.764 4.477 0.287 19632 4190 1 13 . 1 1 61 61 ASP CA C 61 53.789 53.789 56.409 -2.620 19632 4191 1 13 . 1 1 61 61 ASP CB C 61 40.082 40.082 40.985 -0.903 19632 4192 1 13 . 1 1 61 61 ASP H H 61 8.769 8.769 8.675 0.094 19632 4193 1 13 . 1 1 62 62 GLN N N 62 118.595 118.595 116.613 1.982 19632 4194 1 13 . 1 1 62 62 GLN HA H 62 4.779 4.779 4.680 0.099 19632 4195 1 13 . 1 1 62 62 GLN CA C 62 54.066 54.066 54.652 -0.586 19632 4196 1 13 . 1 1 62 62 GLN CB C 62 30.309 30.309 30.116 0.194 19632 4197 1 13 . 1 1 62 62 GLN H H 62 7.467 7.467 7.323 0.144 19632 4198 1 13 . 1 1 63 63 PRO HA H 63 4.662 4.662 4.610 0.052 19632 4199 1 13 . 1 1 63 63 PRO CB C 63 32.293 32.293 32.194 0.099 19632 4200 1 13 . 1 1 64 64 ASP N N 64 116.697 116.697 117.436 -0.739 19632 4201 1 13 . 1 1 64 64 ASP HA H 64 4.662 4.662 4.532 0.130 19632 4202 1 13 . 1 1 64 64 ASP CA C 64 54.449 54.449 54.603 -0.154 19632 4203 1 13 . 1 1 64 64 ASP CB C 64 41.201 41.201 40.990 0.211 19632 4204 1 13 . 1 1 64 64 ASP H H 64 8.389 8.389 8.340 0.049 19632 4205 1 13 . 1 1 65 65 LYS N N 65 119.781 119.781 120.013 -0.232 19632 4206 1 13 . 1 1 65 65 LYS HA H 65 4.547 4.547 4.594 -0.047 19632 4207 1 13 . 1 1 65 65 LYS CA C 65 55.469 55.469 55.253 0.216 19632 4208 1 13 . 1 1 65 65 LYS CB C 65 34.796 34.796 33.667 1.129 19632 4209 1 13 . 1 1 65 65 LYS H H 65 7.592 7.592 7.366 0.226 19632 4210 1 13 . 1 1 66 66 LEU N N 66 125.131 125.131 125.923 -0.792 19632 4211 1 13 . 1 1 66 66 LEU HA H 66 4.708 4.708 4.616 0.092 19632 4212 1 13 . 1 1 66 66 LEU CA C 66 54.496 54.496 54.454 0.042 19632 4213 1 13 . 1 1 66 66 LEU CB C 66 44.010 44.010 42.719 1.291 19632 4214 1 13 . 1 1 66 66 LEU H H 66 8.300 8.300 8.479 -0.179 19632 4215 1 13 . 1 1 67 67 ILE N N 67 124.524 124.524 125.808 -1.284 19632 4216 1 13 . 1 1 67 67 ILE HA H 67 4.447 4.447 4.410 0.037 19632 4217 1 13 . 1 1 67 67 ILE CA C 67 57.824 57.824 57.572 0.253 19632 4218 1 13 . 1 1 67 67 ILE CB C 67 40.744 40.744 37.593 3.151 19632 4219 1 13 . 1 1 67 67 ILE H H 67 9.427 9.427 9.153 0.274 19632 4220 1 13 . 1 1 68 68 PRO HA H 68 4.649 4.649 4.718 -0.069 19632 4221 1 13 . 1 1 68 68 PRO CB C 68 32.644 32.644 31.894 0.750 19632 4222 1 13 . 1 1 69 69 GLN N N 69 119.126 119.126 118.400 0.726 19632 4223 1 13 . 1 1 69 69 GLN HA H 69 3.730 3.730 4.163 -0.433 19632 4224 1 13 . 1 1 69 69 GLN CA C 69 59.447 59.447 57.971 1.476 19632 4225 1 13 . 1 1 69 69 GLN CB C 69 28.819 28.819 28.629 0.190 19632 4226 1 13 . 1 1 69 69 GLN H H 69 8.386 8.386 8.576 -0.190 19632 4227 1 13 . 1 1 70 70 TRP N N 70 112.076 112.076 116.291 -4.215 19632 4228 1 13 . 1 1 70 70 TRP HA H 70 4.525 4.525 5.045 -0.520 19632 4229 1 13 . 1 1 70 70 TRP CA C 70 58.197 58.197 56.965 1.232 19632 4230 1 13 . 1 1 70 70 TRP CB C 70 28.016 28.016 28.925 -0.909 19632 4231 1 13 . 1 1 70 70 TRP H H 70 6.972 6.972 7.398 -0.426 19632 4232 1 13 . 1 1 71 71 GLU N N 71 119.388 119.388 119.688 -0.300 19632 4233 1 13 . 1 1 71 71 GLU HA H 71 4.249 4.249 4.561 -0.312 19632 4234 1 13 . 1 1 71 71 GLU CA C 71 56.654 56.654 56.410 0.244 19632 4235 1 13 . 1 1 71 71 GLU CB C 71 30.938 30.938 30.001 0.937 19632 4236 1 13 . 1 1 71 71 GLU H H 71 7.386 7.386 7.361 0.025 19632 4237 1 13 . 1 1 72 72 ILE N N 72 115.759 115.759 113.644 2.115 19632 4238 1 13 . 1 1 72 72 ILE HA H 72 3.324 3.324 4.304 -0.980 19632 4239 1 13 . 1 1 72 72 ILE CA C 72 64.205 64.205 61.416 2.789 19632 4240 1 13 . 1 1 72 72 ILE CB C 72 38.012 38.012 38.040 -0.028 19632 4241 1 13 . 1 1 72 72 ILE H H 72 6.754 6.754 7.377 -0.623 19632 4242 1 13 . 1 1 73 73 PHE N N 73 115.942 115.942 119.170 -3.228 19632 4243 1 13 . 1 1 73 73 PHE HA H 73 4.248 4.248 4.323 -0.075 19632 4244 1 13 . 1 1 73 73 PHE CA C 73 56.514 56.514 57.519 -1.005 19632 4245 1 13 . 1 1 73 73 PHE CB C 73 38.479 38.479 39.096 -0.617 19632 4246 1 13 . 1 1 73 73 PHE H H 73 7.388 7.388 7.591 -0.203 19632 4247 1 13 . 1 1 74 74 SER N N 74 114.787 114.787 115.846 -1.059 19632 4248 1 13 . 1 1 74 74 SER HA H 74 4.358 4.358 4.356 0.002 19632 4249 1 13 . 1 1 74 74 SER CA C 74 58.265 58.265 60.026 -1.762 19632 4250 1 13 . 1 1 74 74 SER CB C 74 63.783 63.783 63.381 0.402 19632 4251 1 13 . 1 1 74 74 SER H H 74 7.203 7.203 8.189 -0.986 19632 4252 1 14 . 1 1 2 2 ALA HA H 2 4.290 4.290 4.321 -0.031 19632 4253 1 14 . 1 1 2 2 ALA CA C 2 53.589 53.589 52.776 0.813 19632 4254 1 14 . 1 1 2 2 ALA CB C 2 19.556 19.556 19.157 0.399 19632 4255 1 14 . 1 1 5 5 ASP N N 5 116.992 116.992 121.357 -4.365 19632 4256 1 14 . 1 1 5 5 ASP HA H 5 4.622 4.622 4.711 -0.089 19632 4257 1 14 . 1 1 5 5 ASP CA C 5 54.508 54.508 54.432 0.076 19632 4258 1 14 . 1 1 5 5 ASP CB C 5 41.375 41.375 41.559 -0.184 19632 4259 1 14 . 1 1 5 5 ASP H H 5 8.372 8.372 8.278 0.094 19632 4260 1 14 . 1 1 6 6 ALA N N 6 124.275 124.275 126.992 -2.717 19632 4261 1 14 . 1 1 6 6 ALA HA H 6 4.582 4.582 4.531 0.051 19632 4262 1 14 . 1 1 6 6 ALA CA C 6 48.068 48.068 50.645 -2.578 19632 4263 1 14 . 1 1 6 6 ALA CB C 6 18.765 18.765 18.707 0.058 19632 4264 1 14 . 1 1 6 6 ALA H H 6 7.984 7.984 8.366 -0.382 19632 4265 1 14 . 1 1 7 7 PRO HA H 7 4.486 4.486 4.558 -0.072 19632 4266 1 14 . 1 1 7 7 PRO CA C 7 63.406 63.406 61.767 1.639 19632 4267 1 14 . 1 1 7 7 PRO CB C 7 32.491 32.491 32.609 -0.118 19632 4268 1 14 . 1 1 8 8 SER N N 8 115.947 115.947 115.176 0.771 19632 4269 1 14 . 1 1 8 8 SER HA H 8 4.483 4.483 4.354 0.129 19632 4270 1 14 . 1 1 8 8 SER CA C 8 58.635 58.635 59.218 -0.583 19632 4271 1 14 . 1 1 8 8 SER CB C 8 64.447 64.447 62.761 1.686 19632 4272 1 14 . 1 1 8 8 SER H H 8 8.424 8.424 8.341 0.083 19632 4273 1 14 . 1 1 9 9 GLY N N 9 109.902 109.902 113.198 -3.296 19632 4274 1 14 . 1 1 9 9 GLY CA C 9 45.804 45.804 44.950 0.854 19632 4275 1 14 . 1 1 9 9 GLY H H 9 8.352 8.352 8.576 -0.224 19632 4276 1 14 . 1 1 10 10 GLU N N 10 119.364 119.364 120.005 -0.641 19632 4277 1 14 . 1 1 10 10 GLU HA H 10 4.808 4.808 4.607 0.201 19632 4278 1 14 . 1 1 10 10 GLU CA C 10 53.481 53.481 52.593 0.888 19632 4279 1 14 . 1 1 10 10 GLU CB C 10 30.956 30.956 29.744 1.212 19632 4280 1 14 . 1 1 10 10 GLU H H 10 8.071 8.071 8.408 -0.337 19632 4281 1 14 . 1 1 11 11 PRO HA H 11 5.012 5.012 4.819 0.193 19632 4282 1 14 . 1 1 11 11 PRO CA C 11 63.350 63.350 62.627 0.723 19632 4283 1 14 . 1 1 11 11 PRO CB C 11 34.176 34.176 31.950 2.226 19632 4284 1 14 . 1 1 12 12 ASP N N 12 122.007 122.007 125.796 -3.789 19632 4285 1 14 . 1 1 12 12 ASP HA H 12 5.030 5.030 4.627 0.403 19632 4286 1 14 . 1 1 12 12 ASP CA C 12 53.249 53.249 54.015 -0.766 19632 4287 1 14 . 1 1 12 12 ASP CB C 12 45.006 45.006 42.759 2.247 19632 4288 1 14 . 1 1 12 12 ASP H H 12 9.396 9.396 8.284 1.112 19632 4289 1 14 . 1 1 13 13 VAL N N 13 120.517 120.517 125.548 -5.031 19632 4290 1 14 . 1 1 13 13 VAL HA H 13 5.090 5.090 4.512 0.578 19632 4291 1 14 . 1 1 13 13 VAL CA C 13 59.653 59.653 60.475 -0.822 19632 4292 1 14 . 1 1 13 13 VAL CB C 13 35.347 35.347 32.849 2.498 19632 4293 1 14 . 1 1 13 13 VAL H H 13 8.402 8.402 8.355 0.047 19632 4294 1 14 . 1 1 14 14 THR N N 14 122.388 122.388 126.592 -4.204 19632 4295 1 14 . 1 1 14 14 THR HA H 14 4.465 4.465 4.412 0.053 19632 4296 1 14 . 1 1 14 14 THR CA C 14 61.591 61.591 61.765 -0.174 19632 4297 1 14 . 1 1 14 14 THR CB C 14 71.537 71.537 68.938 2.599 19632 4298 1 14 . 1 1 14 14 THR H H 14 8.397 8.397 8.914 -0.517 19632 4299 1 14 . 1 1 15 15 ILE N N 15 125.929 125.929 128.853 -2.924 19632 4300 1 14 . 1 1 15 15 ILE HA H 15 4.882 4.882 3.898 0.984 19632 4301 1 14 . 1 1 15 15 ILE CA C 15 60.655 60.655 61.437 -0.782 19632 4302 1 14 . 1 1 15 15 ILE CB C 15 40.004 40.004 37.110 2.894 19632 4303 1 14 . 1 1 15 15 ILE H H 15 8.628 8.628 8.495 0.133 19632 4304 1 14 . 1 1 16 16 ARG N N 16 125.332 125.332 127.923 -2.591 19632 4305 1 14 . 1 1 16 16 ARG HA H 16 4.662 4.662 4.587 0.075 19632 4306 1 14 . 1 1 16 16 ARG CA C 16 54.731 54.731 52.800 1.931 19632 4307 1 14 . 1 1 16 16 ARG CB C 16 33.731 33.731 32.220 1.511 19632 4308 1 14 . 1 1 16 16 ARG H H 16 9.057 9.057 8.636 0.421 19632 4309 1 14 . 1 1 17 17 GLN N N 17 121.044 121.044 119.766 1.278 19632 4310 1 14 . 1 1 17 17 GLN HA H 17 4.803 4.803 4.620 0.183 19632 4311 1 14 . 1 1 17 17 GLN CA C 17 55.241 55.241 55.259 -0.018 19632 4312 1 14 . 1 1 17 17 GLN CB C 17 30.461 30.461 30.064 0.397 19632 4313 1 14 . 1 1 17 17 GLN H H 17 8.508 8.508 8.475 0.033 19632 4314 1 14 . 1 1 18 18 GLU N N 18 125.409 125.409 125.100 0.309 19632 4315 1 14 . 1 1 18 18 GLU HA H 18 4.529 4.529 4.504 0.025 19632 4316 1 14 . 1 1 18 18 GLU CA C 18 55.018 55.018 54.466 0.552 19632 4317 1 14 . 1 1 18 18 GLU CB C 18 31.654 31.654 28.718 2.936 19632 4318 1 14 . 1 1 18 18 GLU H H 18 8.394 8.394 8.601 -0.207 19632 4319 1 14 . 1 1 19 19 GLY N N 19 114.286 114.286 116.419 -2.133 19632 4320 1 14 . 1 1 19 19 GLY CA C 19 47.887 47.887 46.870 1.017 19632 4321 1 14 . 1 1 19 19 GLY H H 19 8.804 8.804 8.419 0.385 19632 4322 1 14 . 1 1 20 20 ASP N N 20 124.137 124.137 125.353 -1.216 19632 4323 1 14 . 1 1 20 20 ASP HA H 20 4.536 4.536 4.694 -0.158 19632 4324 1 14 . 1 1 20 20 ASP CA C 20 54.019 54.019 54.608 -0.589 19632 4325 1 14 . 1 1 20 20 ASP CB C 20 41.053 41.053 41.286 -0.233 19632 4326 1 14 . 1 1 20 20 ASP H H 20 8.519 8.519 8.340 0.179 19632 4327 1 14 . 1 1 21 21 LYS N N 21 116.711 116.711 119.559 -2.848 19632 4328 1 14 . 1 1 21 21 LYS HA H 21 4.648 4.648 4.838 -0.190 19632 4329 1 14 . 1 1 21 21 LYS CA C 21 55.468 55.468 54.695 0.773 19632 4330 1 14 . 1 1 21 21 LYS CB C 21 34.941 34.941 33.164 1.777 19632 4331 1 14 . 1 1 21 21 LYS H H 21 7.696 7.696 7.567 0.129 19632 4332 1 14 . 1 1 22 22 THR N N 22 118.655 118.655 123.804 -5.149 19632 4333 1 14 . 1 1 22 22 THR HA H 22 4.541 4.541 4.626 -0.085 19632 4334 1 14 . 1 1 22 22 THR CA C 22 62.936 62.936 62.743 0.193 19632 4335 1 14 . 1 1 22 22 THR CB C 22 70.275 70.275 68.661 1.614 19632 4336 1 14 . 1 1 22 22 THR H H 22 7.994 7.994 8.752 -0.758 19632 4337 1 14 . 1 1 23 23 ILE N N 23 126.114 126.114 129.390 -3.276 19632 4338 1 14 . 1 1 23 23 ILE HA H 23 4.699 4.699 4.125 0.574 19632 4339 1 14 . 1 1 23 23 ILE CA C 23 59.119 59.119 60.751 -1.632 19632 4340 1 14 . 1 1 23 23 ILE CB C 23 40.729 40.729 37.347 3.382 19632 4341 1 14 . 1 1 23 23 ILE H H 23 8.957 8.957 8.435 0.522 19632 4342 1 14 . 1 1 24 24 GLN N N 24 123.560 123.560 128.431 -4.871 19632 4343 1 14 . 1 1 24 24 GLN HA H 24 5.121 5.121 4.662 0.459 19632 4344 1 14 . 1 1 24 24 GLN CA C 24 53.653 53.653 54.513 -0.860 19632 4345 1 14 . 1 1 24 24 GLN CB C 24 30.573 30.573 28.995 1.578 19632 4346 1 14 . 1 1 24 24 GLN H H 24 8.932 8.932 8.900 0.032 19632 4347 1 14 . 1 1 25 25 GLU N N 25 122.651 122.651 125.062 -2.411 19632 4348 1 14 . 1 1 25 25 GLU HA H 25 4.462 4.462 4.486 -0.024 19632 4349 1 14 . 1 1 25 25 GLU CA C 25 55.548 55.548 55.566 -0.018 19632 4350 1 14 . 1 1 25 25 GLU CB C 25 32.644 32.644 30.516 2.128 19632 4351 1 14 . 1 1 25 25 GLU H H 25 8.987 8.987 8.944 0.043 19632 4352 1 14 . 1 1 26 26 TYR N N 26 124.044 124.044 126.582 -2.538 19632 4353 1 14 . 1 1 26 26 TYR HA H 26 4.756 4.756 4.574 0.182 19632 4354 1 14 . 1 1 26 26 TYR CA C 26 58.317 58.317 58.426 -0.109 19632 4355 1 14 . 1 1 26 26 TYR CB C 26 38.543 38.543 37.209 1.335 19632 4356 1 14 . 1 1 26 26 TYR H H 26 8.930 8.930 9.174 -0.244 19632 4357 1 14 . 1 1 27 27 ARG N N 27 119.739 119.739 124.169 -4.430 19632 4358 1 14 . 1 1 27 27 ARG HA H 27 5.657 5.657 5.127 0.530 19632 4359 1 14 . 1 1 27 27 ARG CA C 27 53.860 53.860 54.599 -0.739 19632 4360 1 14 . 1 1 27 27 ARG CB C 27 36.310 36.310 33.019 3.291 19632 4361 1 14 . 1 1 27 27 ARG H H 27 8.496 8.496 8.871 -0.375 19632 4362 1 14 . 1 1 28 28 VAL N N 28 115.698 115.698 122.432 -6.734 19632 4363 1 14 . 1 1 28 28 VAL HA H 28 4.526 4.526 4.164 0.362 19632 4364 1 14 . 1 1 28 28 VAL CA C 28 60.002 60.002 64.661 -4.659 19632 4365 1 14 . 1 1 28 28 VAL CB C 28 34.889 34.889 32.737 2.152 19632 4366 1 14 . 1 1 28 28 VAL H H 28 8.716 8.716 8.161 0.555 19632 4367 1 14 . 1 1 29 29 ASN N N 29 128.827 128.827 117.555 11.272 19632 4368 1 14 . 1 1 29 29 ASN HA H 29 4.309 4.309 4.980 -0.671 19632 4369 1 14 . 1 1 29 29 ASN CA C 29 54.385 54.385 53.342 1.043 19632 4370 1 14 . 1 1 29 29 ASN CB C 29 38.270 38.270 38.928 -0.659 19632 4371 1 14 . 1 1 29 29 ASN H H 29 9.605 9.605 8.313 1.292 19632 4372 1 14 . 1 1 30 30 GLY N N 30 103.111 103.111 108.182 -5.071 19632 4373 1 14 . 1 1 30 30 GLY CA C 30 45.901 45.901 45.353 0.548 19632 4374 1 14 . 1 1 30 30 GLY H H 30 8.784 8.784 8.437 0.347 19632 4375 1 14 . 1 1 31 31 PHE N N 31 123.693 123.693 122.212 1.481 19632 4376 1 14 . 1 1 31 31 PHE HA H 31 4.529 4.529 4.808 -0.279 19632 4377 1 14 . 1 1 31 31 PHE CA C 31 57.924 57.924 56.748 1.176 19632 4378 1 14 . 1 1 31 31 PHE CB C 31 40.207 40.207 41.188 -0.981 19632 4379 1 14 . 1 1 31 31 PHE H H 31 8.191 8.191 7.694 0.497 19632 4380 1 14 . 1 1 32 32 LEU N N 32 130.348 130.348 129.049 1.299 19632 4381 1 14 . 1 1 32 32 LEU HA H 32 4.427 4.427 4.248 0.179 19632 4382 1 14 . 1 1 32 32 LEU CA C 32 55.517 55.517 55.041 0.475 19632 4383 1 14 . 1 1 32 32 LEU CB C 32 42.468 42.468 41.627 0.841 19632 4384 1 14 . 1 1 32 32 LEU H H 32 8.171 8.171 8.231 -0.060 19632 4385 1 14 . 1 1 33 33 TYR N N 33 124.923 124.923 121.013 3.910 19632 4386 1 14 . 1 1 33 33 TYR HA H 33 4.557 4.557 4.899 -0.342 19632 4387 1 14 . 1 1 33 33 TYR CA C 33 56.404 56.404 57.075 -0.671 19632 4388 1 14 . 1 1 33 33 TYR CB C 33 39.131 39.131 40.323 -1.192 19632 4389 1 14 . 1 1 33 33 TYR H H 33 8.415 8.415 8.697 -0.282 19632 4390 1 14 . 1 1 34 34 ALA N N 34 120.211 120.211 120.537 -0.326 19632 4391 1 14 . 1 1 34 34 ALA HA H 34 5.528 5.528 5.408 0.120 19632 4392 1 14 . 1 1 34 34 ALA CA C 34 52.196 52.196 51.212 0.984 19632 4393 1 14 . 1 1 34 34 ALA CB C 34 22.633 22.633 22.153 0.480 19632 4394 1 14 . 1 1 34 34 ALA H H 34 7.399 7.399 7.126 0.273 19632 4395 1 14 . 1 1 35 35 ILE N N 35 118.197 118.197 121.949 -3.752 19632 4396 1 14 . 1 1 35 35 ILE HA H 35 5.157 5.157 5.023 0.134 19632 4397 1 14 . 1 1 35 35 ILE CA C 35 60.000 60.000 60.067 -0.067 19632 4398 1 14 . 1 1 35 35 ILE CB C 35 43.639 43.639 42.152 1.487 19632 4399 1 14 . 1 1 35 35 ILE H H 35 9.224 9.224 8.742 0.482 19632 4400 1 14 . 1 1 36 36 LYS N N 36 127.872 127.872 128.563 -0.691 19632 4401 1 14 . 1 1 36 36 LYS HA H 36 4.204 4.204 4.721 -0.517 19632 4402 1 14 . 1 1 36 36 LYS CA C 36 55.245 55.245 54.507 0.738 19632 4403 1 14 . 1 1 36 36 LYS CB C 36 36.092 36.092 34.260 1.832 19632 4404 1 14 . 1 1 36 36 LYS H H 36 9.708 9.708 8.932 0.776 19632 4405 1 14 . 1 1 37 37 VAL N N 37 128.005 128.005 128.114 -0.109 19632 4406 1 14 . 1 1 37 37 VAL HA H 37 4.043 4.043 4.579 -0.536 19632 4407 1 14 . 1 1 37 37 VAL CA C 37 61.840 61.840 59.863 1.977 19632 4408 1 14 . 1 1 37 37 VAL CB C 37 32.523 32.523 34.223 -1.700 19632 4409 1 14 . 1 1 37 37 VAL H H 37 8.551 8.551 7.867 0.684 19632 4410 1 14 . 1 1 38 38 VAL N N 38 125.034 125.034 129.208 -4.174 19632 4411 1 14 . 1 1 38 38 VAL HA H 38 4.277 4.277 4.468 -0.191 19632 4412 1 14 . 1 1 38 38 VAL CA C 38 59.287 59.287 57.982 1.305 19632 4413 1 14 . 1 1 38 38 VAL CB C 38 32.568 32.568 31.373 1.195 19632 4414 1 14 . 1 1 38 38 VAL H H 38 8.668 8.668 8.854 -0.186 19632 4415 1 14 . 1 1 39 39 PRO HA H 39 4.565 4.565 4.753 -0.188 19632 4416 1 14 . 1 1 39 39 PRO CA C 39 62.202 62.202 62.047 0.155 19632 4417 1 14 . 1 1 39 39 PRO CB C 39 32.887 32.887 32.296 0.591 19632 4418 1 14 . 1 1 40 40 LYS N N 40 121.622 121.622 120.622 1.000 19632 4419 1 14 . 1 1 40 40 LYS HA H 40 3.877 3.877 3.992 -0.115 19632 4420 1 14 . 1 1 40 40 LYS CA C 40 58.950 58.950 57.324 1.626 19632 4421 1 14 . 1 1 40 40 LYS CB C 40 32.988 32.988 32.291 0.697 19632 4422 1 14 . 1 1 40 40 LYS H H 40 8.275 8.275 8.290 -0.015 19632 4423 1 14 . 1 1 41 41 HIS N N 41 114.012 114.012 117.498 -3.486 19632 4424 1 14 . 1 1 41 41 HIS HA H 41 4.795 4.795 4.758 0.037 19632 4425 1 14 . 1 1 41 41 HIS CA C 41 54.904 54.904 55.275 -0.371 19632 4426 1 14 . 1 1 41 41 HIS CB C 41 30.835 30.835 29.250 1.585 19632 4427 1 14 . 1 1 41 41 HIS H H 41 8.040 8.040 7.770 0.270 19632 4428 1 14 . 1 1 42 42 GLY N N 42 109.068 109.068 111.561 -2.493 19632 4429 1 14 . 1 1 42 42 GLY CA C 42 44.482 44.482 45.263 -0.781 19632 4430 1 14 . 1 1 42 42 GLY H H 42 7.966 7.966 8.438 -0.472 19632 4431 1 14 . 1 1 43 43 LYS N N 43 120.287 120.287 121.285 -0.998 19632 4432 1 14 . 1 1 43 43 LYS HA H 43 4.680 4.680 4.660 0.020 19632 4433 1 14 . 1 1 43 43 LYS CA C 43 54.392 54.392 53.486 0.906 19632 4434 1 14 . 1 1 43 43 LYS CB C 43 33.511 33.511 34.185 -0.674 19632 4435 1 14 . 1 1 43 43 LYS H H 43 8.209 8.209 8.020 0.189 19632 4436 1 14 . 1 1 44 44 PRO HA H 44 5.013 5.013 4.918 0.095 19632 4437 1 14 . 1 1 44 44 PRO CA C 44 62.744 62.744 62.671 0.073 19632 4438 1 14 . 1 1 44 44 PRO CB C 44 33.747 33.747 32.035 1.712 19632 4439 1 14 . 1 1 45 45 TYR N N 45 115.140 115.140 120.472 -5.332 19632 4440 1 14 . 1 1 45 45 TYR HA H 45 4.897 4.897 4.862 0.035 19632 4441 1 14 . 1 1 45 45 TYR CA C 45 56.387 56.387 55.078 1.310 19632 4442 1 14 . 1 1 45 45 TYR CB C 45 40.574 40.574 40.377 0.197 19632 4443 1 14 . 1 1 45 45 TYR H H 45 8.176 8.176 8.194 -0.018 19632 4444 1 14 . 1 1 46 46 PHE N N 46 115.001 115.001 118.527 -3.526 19632 4445 1 14 . 1 1 46 46 PHE HA H 46 5.662 5.662 5.391 0.271 19632 4446 1 14 . 1 1 46 46 PHE CA C 46 56.395 56.395 56.043 0.352 19632 4447 1 14 . 1 1 46 46 PHE CB C 46 43.736 43.736 42.045 1.691 19632 4448 1 14 . 1 1 46 46 PHE H H 46 8.607 8.607 8.997 -0.390 19632 4449 1 14 . 1 1 47 47 LEU N N 47 121.747 121.747 123.090 -1.343 19632 4450 1 14 . 1 1 47 47 LEU HA H 47 5.339 5.339 5.053 0.286 19632 4451 1 14 . 1 1 47 47 LEU CA C 47 54.116 54.116 53.900 0.216 19632 4452 1 14 . 1 1 47 47 LEU CB C 47 44.357 44.357 43.517 0.840 19632 4453 1 14 . 1 1 47 47 LEU H H 47 9.631 9.631 9.102 0.529 19632 4454 1 14 . 1 1 48 48 VAL N N 48 122.850 122.850 124.711 -1.861 19632 4455 1 14 . 1 1 48 48 VAL HA H 48 4.476 4.476 4.499 -0.023 19632 4456 1 14 . 1 1 48 48 VAL CA C 48 61.559 61.559 61.501 0.058 19632 4457 1 14 . 1 1 48 48 VAL CB C 48 35.232 35.232 32.666 2.566 19632 4458 1 14 . 1 1 48 48 VAL H H 48 9.334 9.334 9.197 0.137 19632 4459 1 14 . 1 1 49 49 ARG N N 49 129.488 129.488 127.970 1.518 19632 4460 1 14 . 1 1 49 49 ARG HA H 49 3.045 3.045 4.062 -1.017 19632 4461 1 14 . 1 1 49 49 ARG CA C 49 56.623 56.623 54.965 1.658 19632 4462 1 14 . 1 1 49 49 ARG CB C 49 31.326 31.326 29.860 1.466 19632 4463 1 14 . 1 1 49 49 ARG H H 49 8.451 8.451 8.635 -0.184 19632 4464 1 14 . 1 1 50 50 ALA N N 50 131.016 131.016 130.188 0.828 19632 4465 1 14 . 1 1 50 50 ALA HA H 50 4.418 4.418 4.217 0.201 19632 4466 1 14 . 1 1 50 50 ALA CA C 50 51.502 51.502 51.837 -0.335 19632 4467 1 14 . 1 1 50 50 ALA CB C 50 20.364 20.364 19.671 0.693 19632 4468 1 14 . 1 1 50 50 ALA H H 50 8.524 8.524 8.016 0.508 19632 4469 1 14 . 1 1 51 51 ASP N N 51 112.516 112.516 120.057 -7.541 19632 4470 1 14 . 1 1 51 51 ASP HA H 51 4.413 4.413 4.393 0.020 19632 4471 1 14 . 1 1 51 51 ASP CA C 51 54.301 54.301 55.502 -1.201 19632 4472 1 14 . 1 1 51 51 ASP CB C 51 41.710 41.710 40.744 0.966 19632 4473 1 14 . 1 1 51 51 ASP H H 51 8.597 8.597 8.343 0.254 19632 4474 1 14 . 1 1 52 52 GLY N N 52 106.147 106.147 113.477 -7.330 19632 4475 1 14 . 1 1 52 52 GLY CA C 52 45.499 45.499 45.033 0.466 19632 4476 1 14 . 1 1 52 52 GLY H H 52 8.378 8.378 8.625 -0.247 19632 4477 1 14 . 1 1 53 53 SER N N 53 115.000 115.000 115.651 -0.651 19632 4478 1 14 . 1 1 53 53 SER HA H 53 4.439 4.439 4.044 0.395 19632 4479 1 14 . 1 1 53 53 SER CA C 53 60.282 60.282 59.032 1.250 19632 4480 1 14 . 1 1 53 53 SER CB C 53 64.175 64.175 62.215 1.960 19632 4481 1 14 . 1 1 53 53 SER H H 53 8.677 8.677 8.108 0.569 19632 4482 1 14 . 1 1 54 54 ASP N N 54 119.220 119.220 120.617 -1.397 19632 4483 1 14 . 1 1 54 54 ASP HA H 54 4.595 4.595 4.437 0.158 19632 4484 1 14 . 1 1 54 54 ASP CA C 54 55.689 55.689 56.007 -0.318 19632 4485 1 14 . 1 1 54 54 ASP CB C 54 41.326 41.326 41.259 0.067 19632 4486 1 14 . 1 1 54 54 ASP H H 54 8.364 8.364 8.368 -0.004 19632 4487 1 14 . 1 1 55 55 GLY N N 55 107.460 107.460 103.536 3.924 19632 4488 1 14 . 1 1 55 55 GLY CA C 55 47.210 47.210 44.734 2.476 19632 4489 1 14 . 1 1 55 55 GLY H H 55 7.801 7.801 7.960 -0.159 19632 4490 1 14 . 1 1 56 56 ASN N N 56 116.076 116.076 116.295 -0.219 19632 4491 1 14 . 1 1 56 56 ASN HA H 56 4.997 4.997 5.224 -0.227 19632 4492 1 14 . 1 1 56 56 ASN CA C 56 53.235 53.235 52.042 1.193 19632 4493 1 14 . 1 1 56 56 ASN CB C 56 41.540 41.540 42.226 -0.686 19632 4494 1 14 . 1 1 56 56 ASN H H 56 7.919 7.919 7.394 0.524 19632 4495 1 14 . 1 1 57 57 PHE N N 57 118.405 118.405 117.966 0.439 19632 4496 1 14 . 1 1 57 57 PHE HA H 57 5.043 5.043 5.164 -0.121 19632 4497 1 14 . 1 1 57 57 PHE CA C 57 56.786 56.786 56.630 0.156 19632 4498 1 14 . 1 1 57 57 PHE CB C 57 44.374 44.374 43.522 0.852 19632 4499 1 14 . 1 1 57 57 PHE H H 57 9.203 9.203 8.260 0.943 19632 4500 1 14 . 1 1 58 58 ILE N N 58 118.503 118.503 121.163 -2.660 19632 4501 1 14 . 1 1 58 58 ILE HA H 58 4.507 4.507 4.522 -0.015 19632 4502 1 14 . 1 1 58 58 ILE CA C 58 60.493 60.493 58.868 1.625 19632 4503 1 14 . 1 1 58 58 ILE CB C 58 42.447 42.447 37.714 4.733 19632 4504 1 14 . 1 1 58 58 ILE H H 58 9.222 9.222 9.149 0.073 19632 4505 1 14 . 1 1 59 59 ARG N N 59 126.283 126.283 128.806 -2.523 19632 4506 1 14 . 1 1 59 59 ARG HA H 59 5.111 5.111 5.187 -0.076 19632 4507 1 14 . 1 1 59 59 ARG CA C 59 55.839 55.839 55.761 0.078 19632 4508 1 14 . 1 1 59 59 ARG CB C 59 32.157 32.157 31.796 0.361 19632 4509 1 14 . 1 1 59 59 ARG H H 59 9.298 9.298 8.844 0.454 19632 4510 1 14 . 1 1 60 60 SER N N 60 119.913 119.913 123.932 -4.019 19632 4511 1 14 . 1 1 60 60 SER HA H 60 3.887 3.887 4.305 -0.418 19632 4512 1 14 . 1 1 60 60 SER CA C 60 62.373 62.373 61.483 0.890 19632 4513 1 14 . 1 1 60 60 SER CB C 60 62.777 62.777 63.246 -0.469 19632 4514 1 14 . 1 1 60 60 SER H H 60 9.698 9.698 9.093 0.605 19632 4515 1 14 . 1 1 61 61 ASP N N 61 117.504 117.504 119.797 -2.293 19632 4516 1 14 . 1 1 61 61 ASP HA H 61 4.764 4.764 4.665 0.099 19632 4517 1 14 . 1 1 61 61 ASP CA C 61 53.789 53.789 56.158 -2.369 19632 4518 1 14 . 1 1 61 61 ASP CB C 61 40.082 40.082 41.083 -1.001 19632 4519 1 14 . 1 1 61 61 ASP H H 61 8.769 8.769 8.530 0.239 19632 4520 1 14 . 1 1 62 62 GLN N N 62 118.595 118.595 117.386 1.209 19632 4521 1 14 . 1 1 62 62 GLN HA H 62 4.779 4.779 4.775 0.004 19632 4522 1 14 . 1 1 62 62 GLN CA C 62 54.066 54.066 53.899 0.167 19632 4523 1 14 . 1 1 62 62 GLN CB C 62 30.309 30.309 29.937 0.372 19632 4524 1 14 . 1 1 62 62 GLN H H 62 7.467 7.467 7.517 -0.050 19632 4525 1 14 . 1 1 63 63 PRO HA H 63 4.662 4.662 4.607 0.055 19632 4526 1 14 . 1 1 63 63 PRO CB C 63 32.293 32.293 32.195 0.098 19632 4527 1 14 . 1 1 64 64 ASP N N 64 116.697 116.697 119.409 -2.712 19632 4528 1 14 . 1 1 64 64 ASP HA H 64 4.662 4.662 4.432 0.230 19632 4529 1 14 . 1 1 64 64 ASP CA C 64 54.449 54.449 56.465 -2.016 19632 4530 1 14 . 1 1 64 64 ASP CB C 64 41.201 41.201 40.933 0.268 19632 4531 1 14 . 1 1 64 64 ASP H H 64 8.389 8.389 8.782 -0.393 19632 4532 1 14 . 1 1 65 65 LYS N N 65 119.781 119.781 117.030 2.751 19632 4533 1 14 . 1 1 65 65 LYS HA H 65 4.547 4.547 4.568 -0.021 19632 4534 1 14 . 1 1 65 65 LYS CA C 65 55.469 55.469 54.802 0.667 19632 4535 1 14 . 1 1 65 65 LYS CB C 65 34.796 34.796 33.899 0.897 19632 4536 1 14 . 1 1 65 65 LYS H H 65 7.592 7.592 7.553 0.039 19632 4537 1 14 . 1 1 66 66 LEU N N 66 125.131 125.131 120.465 4.666 19632 4538 1 14 . 1 1 66 66 LEU HA H 66 4.708 4.708 4.388 0.320 19632 4539 1 14 . 1 1 66 66 LEU CA C 66 54.496 54.496 54.025 0.471 19632 4540 1 14 . 1 1 66 66 LEU CB C 66 44.010 44.010 42.985 1.025 19632 4541 1 14 . 1 1 66 66 LEU H H 66 8.300 8.300 8.304 -0.004 19632 4542 1 14 . 1 1 67 67 ILE N N 67 124.524 124.524 125.026 -0.502 19632 4543 1 14 . 1 1 67 67 ILE HA H 67 4.447 4.447 4.267 0.180 19632 4544 1 14 . 1 1 67 67 ILE CA C 67 57.824 57.824 57.643 0.181 19632 4545 1 14 . 1 1 67 67 ILE CB C 67 40.744 40.744 37.137 3.607 19632 4546 1 14 . 1 1 67 67 ILE H H 67 9.427 9.427 8.942 0.485 19632 4547 1 14 . 1 1 68 68 PRO HA H 68 4.649 4.649 4.533 0.116 19632 4548 1 14 . 1 1 68 68 PRO CB C 68 32.644 32.644 31.941 0.703 19632 4549 1 14 . 1 1 69 69 GLN N N 69 119.126 119.126 119.312 -0.186 19632 4550 1 14 . 1 1 69 69 GLN HA H 69 3.730 3.730 3.968 -0.238 19632 4551 1 14 . 1 1 69 69 GLN CA C 69 59.447 59.447 59.824 -0.377 19632 4552 1 14 . 1 1 69 69 GLN CB C 69 28.819 28.819 28.751 0.068 19632 4553 1 14 . 1 1 69 69 GLN H H 69 8.386 8.386 8.386 -0.000 19632 4554 1 14 . 1 1 70 70 TRP N N 70 112.076 112.076 114.729 -2.653 19632 4555 1 14 . 1 1 70 70 TRP HA H 70 4.525 4.525 3.189 1.336 19632 4556 1 14 . 1 1 70 70 TRP CA C 70 58.197 58.197 57.937 0.260 19632 4557 1 14 . 1 1 70 70 TRP CB C 70 28.016 28.016 28.243 -0.227 19632 4558 1 14 . 1 1 70 70 TRP H H 70 6.972 6.972 7.870 -0.898 19632 4559 1 14 . 1 1 71 71 GLU N N 71 119.388 119.388 117.768 1.620 19632 4560 1 14 . 1 1 71 71 GLU HA H 71 4.249 4.249 4.171 0.078 19632 4561 1 14 . 1 1 71 71 GLU CA C 71 56.654 56.654 57.130 -0.476 19632 4562 1 14 . 1 1 71 71 GLU CB C 71 30.938 30.938 30.367 0.570 19632 4563 1 14 . 1 1 71 71 GLU H H 71 7.386 7.386 6.803 0.583 19632 4564 1 14 . 1 1 72 72 ILE N N 72 115.759 115.759 118.243 -2.484 19632 4565 1 14 . 1 1 72 72 ILE HA H 72 3.324 3.324 3.724 -0.400 19632 4566 1 14 . 1 1 72 72 ILE CA C 72 64.205 64.205 64.311 -0.106 19632 4567 1 14 . 1 1 72 72 ILE CB C 72 38.012 38.012 37.922 0.090 19632 4568 1 14 . 1 1 72 72 ILE H H 72 6.754 6.754 7.214 -0.460 19632 4569 1 14 . 1 1 73 73 PHE N N 73 115.942 115.942 117.189 -1.247 19632 4570 1 14 . 1 1 73 73 PHE HA H 73 4.248 4.248 4.711 -0.463 19632 4571 1 14 . 1 1 73 73 PHE CA C 73 56.514 56.514 55.867 0.647 19632 4572 1 14 . 1 1 73 73 PHE CB C 73 38.479 38.479 37.197 1.282 19632 4573 1 14 . 1 1 73 73 PHE H H 73 7.388 7.388 7.587 -0.199 19632 4574 1 14 . 1 1 74 74 SER N N 74 114.787 114.787 116.767 -1.980 19632 4575 1 14 . 1 1 74 74 SER HA H 74 4.358 4.358 4.492 -0.134 19632 4576 1 14 . 1 1 74 74 SER CA C 74 58.265 58.265 59.236 -0.971 19632 4577 1 14 . 1 1 74 74 SER CB C 74 63.783 63.783 63.541 0.242 19632 4578 1 14 . 1 1 74 74 SER H H 74 7.203 7.203 7.674 -0.471 19632 4579 1 15 . 1 1 2 2 ALA HA H 2 4.290 4.290 4.117 0.173 19632 4580 1 15 . 1 1 2 2 ALA CA C 2 53.589 53.589 52.592 0.997 19632 4581 1 15 . 1 1 2 2 ALA CB C 2 19.556 19.556 18.648 0.908 19632 4582 1 15 . 1 1 5 5 ASP N N 5 116.992 116.992 122.809 -5.817 19632 4583 1 15 . 1 1 5 5 ASP HA H 5 4.622 4.622 4.728 -0.106 19632 4584 1 15 . 1 1 5 5 ASP CA C 5 54.508 54.508 53.950 0.558 19632 4585 1 15 . 1 1 5 5 ASP CB C 5 41.375 41.375 41.573 -0.198 19632 4586 1 15 . 1 1 5 5 ASP H H 5 8.372 8.372 8.343 0.029 19632 4587 1 15 . 1 1 6 6 ALA N N 6 124.275 124.275 129.372 -5.097 19632 4588 1 15 . 1 1 6 6 ALA HA H 6 4.582 4.582 4.602 -0.020 19632 4589 1 15 . 1 1 6 6 ALA CA C 6 48.068 48.068 50.182 -2.114 19632 4590 1 15 . 1 1 6 6 ALA CB C 6 18.765 18.765 18.378 0.387 19632 4591 1 15 . 1 1 6 6 ALA H H 6 7.984 7.984 8.343 -0.359 19632 4592 1 15 . 1 1 7 7 PRO HA H 7 4.486 4.486 4.659 -0.173 19632 4593 1 15 . 1 1 7 7 PRO CA C 7 63.406 63.406 62.169 1.237 19632 4594 1 15 . 1 1 7 7 PRO CB C 7 32.491 32.491 32.404 0.087 19632 4595 1 15 . 1 1 8 8 SER N N 8 115.947 115.947 114.570 1.377 19632 4596 1 15 . 1 1 8 8 SER HA H 8 4.483 4.483 4.458 0.025 19632 4597 1 15 . 1 1 8 8 SER CA C 8 58.635 58.635 57.568 1.067 19632 4598 1 15 . 1 1 8 8 SER CB C 8 64.447 64.447 64.062 0.385 19632 4599 1 15 . 1 1 8 8 SER H H 8 8.424 8.424 8.258 0.166 19632 4600 1 15 . 1 1 9 9 GLY N N 9 109.902 109.902 108.877 1.025 19632 4601 1 15 . 1 1 9 9 GLY CA C 9 45.804 45.804 45.224 0.580 19632 4602 1 15 . 1 1 9 9 GLY H H 9 8.352 8.352 8.443 -0.091 19632 4603 1 15 . 1 1 10 10 GLU N N 10 119.364 119.364 119.344 0.020 19632 4604 1 15 . 1 1 10 10 GLU HA H 10 4.808 4.808 4.147 0.661 19632 4605 1 15 . 1 1 10 10 GLU CA C 10 53.481 53.481 56.015 -2.534 19632 4606 1 15 . 1 1 10 10 GLU CB C 10 30.956 30.956 28.830 2.126 19632 4607 1 15 . 1 1 10 10 GLU H H 10 8.071 8.071 8.093 -0.022 19632 4608 1 15 . 1 1 11 11 PRO HA H 11 5.012 5.012 4.641 0.371 19632 4609 1 15 . 1 1 11 11 PRO CA C 11 63.350 63.350 62.593 0.756 19632 4610 1 15 . 1 1 11 11 PRO CB C 11 34.176 34.176 31.489 2.687 19632 4611 1 15 . 1 1 12 12 ASP N N 12 122.007 122.007 123.851 -1.844 19632 4612 1 15 . 1 1 12 12 ASP HA H 12 5.030 5.030 4.684 0.346 19632 4613 1 15 . 1 1 12 12 ASP CA C 12 53.249 53.249 53.294 -0.045 19632 4614 1 15 . 1 1 12 12 ASP CB C 12 45.006 45.006 43.642 1.364 19632 4615 1 15 . 1 1 12 12 ASP H H 12 9.396 9.396 8.147 1.249 19632 4616 1 15 . 1 1 13 13 VAL N N 13 120.517 120.517 122.425 -1.908 19632 4617 1 15 . 1 1 13 13 VAL HA H 13 5.090 5.090 4.697 0.393 19632 4618 1 15 . 1 1 13 13 VAL CA C 13 59.653 59.653 59.157 0.496 19632 4619 1 15 . 1 1 13 13 VAL CB C 13 35.347 35.347 34.059 1.288 19632 4620 1 15 . 1 1 13 13 VAL H H 13 8.402 8.402 8.224 0.178 19632 4621 1 15 . 1 1 14 14 THR N N 14 122.388 122.388 125.009 -2.621 19632 4622 1 15 . 1 1 14 14 THR HA H 14 4.465 4.465 4.474 -0.009 19632 4623 1 15 . 1 1 14 14 THR CA C 14 61.591 61.591 61.928 -0.337 19632 4624 1 15 . 1 1 14 14 THR CB C 14 71.537 71.537 69.043 2.494 19632 4625 1 15 . 1 1 14 14 THR H H 14 8.397 8.397 8.735 -0.338 19632 4626 1 15 . 1 1 15 15 ILE N N 15 125.929 125.929 128.770 -2.841 19632 4627 1 15 . 1 1 15 15 ILE HA H 15 4.882 4.882 4.211 0.671 19632 4628 1 15 . 1 1 15 15 ILE CA C 15 60.655 60.655 61.054 -0.399 19632 4629 1 15 . 1 1 15 15 ILE CB C 15 40.004 40.004 37.732 2.272 19632 4630 1 15 . 1 1 15 15 ILE H H 15 8.628 8.628 8.688 -0.060 19632 4631 1 15 . 1 1 16 16 ARG N N 16 125.332 125.332 128.697 -3.365 19632 4632 1 15 . 1 1 16 16 ARG HA H 16 4.662 4.662 4.699 -0.037 19632 4633 1 15 . 1 1 16 16 ARG CA C 16 54.731 54.731 53.064 1.667 19632 4634 1 15 . 1 1 16 16 ARG CB C 16 33.731 33.731 31.970 1.761 19632 4635 1 15 . 1 1 16 16 ARG H H 16 9.057 9.057 9.049 0.008 19632 4636 1 15 . 1 1 17 17 GLN N N 17 121.044 121.044 119.228 1.816 19632 4637 1 15 . 1 1 17 17 GLN HA H 17 4.803 4.803 4.628 0.175 19632 4638 1 15 . 1 1 17 17 GLN CA C 17 55.241 55.241 55.592 -0.351 19632 4639 1 15 . 1 1 17 17 GLN CB C 17 30.461 30.461 31.210 -0.749 19632 4640 1 15 . 1 1 17 17 GLN H H 17 8.508 8.508 8.608 -0.100 19632 4641 1 15 . 1 1 18 18 GLU N N 18 125.409 125.409 125.858 -0.449 19632 4642 1 15 . 1 1 18 18 GLU HA H 18 4.529 4.529 4.571 -0.042 19632 4643 1 15 . 1 1 18 18 GLU CA C 18 55.018 55.018 54.406 0.612 19632 4644 1 15 . 1 1 18 18 GLU CB C 18 31.654 31.654 28.635 3.019 19632 4645 1 15 . 1 1 18 18 GLU H H 18 8.394 8.394 8.631 -0.237 19632 4646 1 15 . 1 1 19 19 GLY N N 19 114.286 114.286 114.966 -0.680 19632 4647 1 15 . 1 1 19 19 GLY CA C 19 47.887 47.887 46.359 1.528 19632 4648 1 15 . 1 1 19 19 GLY H H 19 8.804 8.804 8.067 0.737 19632 4649 1 15 . 1 1 20 20 ASP N N 20 124.137 124.137 125.437 -1.300 19632 4650 1 15 . 1 1 20 20 ASP HA H 20 4.536 4.536 4.791 -0.255 19632 4651 1 15 . 1 1 20 20 ASP CA C 20 54.019 54.019 53.867 0.152 19632 4652 1 15 . 1 1 20 20 ASP CB C 20 41.053 41.053 41.466 -0.413 19632 4653 1 15 . 1 1 20 20 ASP H H 20 8.519 8.519 8.534 -0.015 19632 4654 1 15 . 1 1 21 21 LYS N N 21 116.711 116.711 119.705 -2.994 19632 4655 1 15 . 1 1 21 21 LYS HA H 21 4.648 4.648 4.992 -0.344 19632 4656 1 15 . 1 1 21 21 LYS CA C 21 55.468 55.468 54.775 0.693 19632 4657 1 15 . 1 1 21 21 LYS CB C 21 34.941 34.941 32.988 1.953 19632 4658 1 15 . 1 1 21 21 LYS H H 21 7.696 7.696 7.346 0.350 19632 4659 1 15 . 1 1 22 22 THR N N 22 118.655 118.655 122.953 -4.298 19632 4660 1 15 . 1 1 22 22 THR HA H 22 4.541 4.541 4.448 0.093 19632 4661 1 15 . 1 1 22 22 THR CA C 22 62.936 62.936 63.060 -0.124 19632 4662 1 15 . 1 1 22 22 THR CB C 22 70.275 70.275 69.579 0.696 19632 4663 1 15 . 1 1 22 22 THR H H 22 7.994 7.994 8.736 -0.742 19632 4664 1 15 . 1 1 23 23 ILE N N 23 126.114 126.114 128.000 -1.886 19632 4665 1 15 . 1 1 23 23 ILE HA H 23 4.699 4.699 4.059 0.640 19632 4666 1 15 . 1 1 23 23 ILE CA C 23 59.119 59.119 58.749 0.370 19632 4667 1 15 . 1 1 23 23 ILE CB C 23 40.729 40.729 36.430 4.299 19632 4668 1 15 . 1 1 23 23 ILE H H 23 8.957 8.957 8.890 0.067 19632 4669 1 15 . 1 1 24 24 GLN N N 24 123.560 123.560 127.632 -4.072 19632 4670 1 15 . 1 1 24 24 GLN HA H 24 5.121 5.121 4.781 0.340 19632 4671 1 15 . 1 1 24 24 GLN CA C 24 53.653 53.653 54.287 -0.634 19632 4672 1 15 . 1 1 24 24 GLN CB C 24 30.573 30.573 29.338 1.235 19632 4673 1 15 . 1 1 24 24 GLN H H 24 8.932 8.932 9.000 -0.068 19632 4674 1 15 . 1 1 25 25 GLU N N 25 122.651 122.651 125.240 -2.589 19632 4675 1 15 . 1 1 25 25 GLU HA H 25 4.462 4.462 4.508 -0.046 19632 4676 1 15 . 1 1 25 25 GLU CA C 25 55.548 55.548 55.546 0.002 19632 4677 1 15 . 1 1 25 25 GLU CB C 25 32.644 32.644 30.571 2.073 19632 4678 1 15 . 1 1 25 25 GLU H H 25 8.987 8.987 8.968 0.019 19632 4679 1 15 . 1 1 26 26 TYR N N 26 124.044 124.044 126.612 -2.568 19632 4680 1 15 . 1 1 26 26 TYR HA H 26 4.756 4.756 4.683 0.073 19632 4681 1 15 . 1 1 26 26 TYR CA C 26 58.317 58.317 58.351 -0.034 19632 4682 1 15 . 1 1 26 26 TYR CB C 26 38.543 38.543 37.961 0.582 19632 4683 1 15 . 1 1 26 26 TYR H H 26 8.930 8.930 9.105 -0.175 19632 4684 1 15 . 1 1 27 27 ARG N N 27 119.739 119.739 124.502 -4.763 19632 4685 1 15 . 1 1 27 27 ARG HA H 27 5.657 5.657 5.277 0.380 19632 4686 1 15 . 1 1 27 27 ARG CA C 27 53.860 53.860 54.878 -1.018 19632 4687 1 15 . 1 1 27 27 ARG CB C 27 36.310 36.310 33.114 3.196 19632 4688 1 15 . 1 1 27 27 ARG H H 27 8.496 8.496 8.919 -0.423 19632 4689 1 15 . 1 1 28 28 VAL N N 28 115.698 115.698 122.753 -7.055 19632 4690 1 15 . 1 1 28 28 VAL HA H 28 4.526 4.526 4.371 0.155 19632 4691 1 15 . 1 1 28 28 VAL CA C 28 60.002 60.002 62.198 -2.196 19632 4692 1 15 . 1 1 28 28 VAL CB C 28 34.889 34.889 33.303 1.587 19632 4693 1 15 . 1 1 28 28 VAL H H 28 8.716 8.716 8.409 0.307 19632 4694 1 15 . 1 1 29 29 ASN N N 29 128.827 128.827 117.131 11.696 19632 4695 1 15 . 1 1 29 29 ASN HA H 29 4.309 4.309 4.787 -0.478 19632 4696 1 15 . 1 1 29 29 ASN CA C 29 54.385 54.385 53.992 0.393 19632 4697 1 15 . 1 1 29 29 ASN CB C 29 38.270 38.270 38.669 -0.399 19632 4698 1 15 . 1 1 29 29 ASN H H 29 9.605 9.605 7.789 1.816 19632 4699 1 15 . 1 1 30 30 GLY N N 30 103.111 103.111 109.161 -6.050 19632 4700 1 15 . 1 1 30 30 GLY CA C 30 45.901 45.901 45.576 0.325 19632 4701 1 15 . 1 1 30 30 GLY H H 30 8.784 8.784 8.592 0.192 19632 4702 1 15 . 1 1 31 31 PHE N N 31 123.693 123.693 122.087 1.606 19632 4703 1 15 . 1 1 31 31 PHE HA H 31 4.529 4.529 4.811 -0.282 19632 4704 1 15 . 1 1 31 31 PHE CA C 31 57.924 57.924 56.581 1.343 19632 4705 1 15 . 1 1 31 31 PHE CB C 31 40.207 40.207 40.938 -0.731 19632 4706 1 15 . 1 1 31 31 PHE H H 31 8.191 8.191 7.705 0.486 19632 4707 1 15 . 1 1 32 32 LEU N N 32 130.348 130.348 130.112 0.236 19632 4708 1 15 . 1 1 32 32 LEU HA H 32 4.427 4.427 4.406 0.021 19632 4709 1 15 . 1 1 32 32 LEU CA C 32 55.517 55.517 54.485 1.032 19632 4710 1 15 . 1 1 32 32 LEU CB C 32 42.468 42.468 41.168 1.300 19632 4711 1 15 . 1 1 32 32 LEU H H 32 8.171 8.171 8.357 -0.186 19632 4712 1 15 . 1 1 33 33 TYR N N 33 124.923 124.923 122.954 1.969 19632 4713 1 15 . 1 1 33 33 TYR HA H 33 4.557 4.557 4.832 -0.275 19632 4714 1 15 . 1 1 33 33 TYR CA C 33 56.404 56.404 56.707 -0.303 19632 4715 1 15 . 1 1 33 33 TYR CB C 33 39.131 39.131 39.712 -0.581 19632 4716 1 15 . 1 1 33 33 TYR H H 33 8.415 8.415 8.859 -0.444 19632 4717 1 15 . 1 1 34 34 ALA N N 34 120.211 120.211 120.427 -0.216 19632 4718 1 15 . 1 1 34 34 ALA HA H 34 5.528 5.528 5.345 0.183 19632 4719 1 15 . 1 1 34 34 ALA CA C 34 52.196 52.196 51.351 0.845 19632 4720 1 15 . 1 1 34 34 ALA CB C 34 22.633 22.633 22.039 0.594 19632 4721 1 15 . 1 1 34 34 ALA H H 34 7.399 7.399 7.146 0.253 19632 4722 1 15 . 1 1 35 35 ILE N N 35 118.197 118.197 121.695 -3.498 19632 4723 1 15 . 1 1 35 35 ILE HA H 35 5.157 5.157 4.812 0.345 19632 4724 1 15 . 1 1 35 35 ILE CA C 35 60.000 60.000 60.102 -0.102 19632 4725 1 15 . 1 1 35 35 ILE CB C 35 43.639 43.639 41.275 2.365 19632 4726 1 15 . 1 1 35 35 ILE H H 35 9.224 9.224 8.810 0.414 19632 4727 1 15 . 1 1 36 36 LYS N N 36 127.872 127.872 128.689 -0.817 19632 4728 1 15 . 1 1 36 36 LYS HA H 36 4.204 4.204 4.629 -0.425 19632 4729 1 15 . 1 1 36 36 LYS CA C 36 55.245 55.245 54.203 1.042 19632 4730 1 15 . 1 1 36 36 LYS CB C 36 36.092 36.092 34.064 2.028 19632 4731 1 15 . 1 1 36 36 LYS H H 36 9.708 9.708 9.078 0.630 19632 4732 1 15 . 1 1 37 37 VAL N N 37 128.005 128.005 127.392 0.613 19632 4733 1 15 . 1 1 37 37 VAL HA H 37 4.043 4.043 4.403 -0.360 19632 4734 1 15 . 1 1 37 37 VAL CA C 37 61.840 61.840 60.733 1.107 19632 4735 1 15 . 1 1 37 37 VAL CB C 37 32.523 32.523 32.074 0.449 19632 4736 1 15 . 1 1 37 37 VAL H H 37 8.551 8.551 7.766 0.785 19632 4737 1 15 . 1 1 38 38 VAL N N 38 125.034 125.034 125.840 -0.806 19632 4738 1 15 . 1 1 38 38 VAL HA H 38 4.277 4.277 4.364 -0.087 19632 4739 1 15 . 1 1 38 38 VAL CA C 38 59.287 59.287 58.358 0.929 19632 4740 1 15 . 1 1 38 38 VAL CB C 38 32.568 32.568 31.407 1.161 19632 4741 1 15 . 1 1 38 38 VAL H H 38 8.668 8.668 9.107 -0.439 19632 4742 1 15 . 1 1 39 39 PRO HA H 39 4.565 4.565 4.860 -0.295 19632 4743 1 15 . 1 1 39 39 PRO CA C 39 62.202 62.202 62.129 0.073 19632 4744 1 15 . 1 1 39 39 PRO CB C 39 32.887 32.887 32.309 0.578 19632 4745 1 15 . 1 1 40 40 LYS N N 40 121.622 121.622 121.861 -0.239 19632 4746 1 15 . 1 1 40 40 LYS HA H 40 3.877 3.877 3.858 0.019 19632 4747 1 15 . 1 1 40 40 LYS CA C 40 58.950 58.950 58.148 0.802 19632 4748 1 15 . 1 1 40 40 LYS CB C 40 32.988 32.988 32.479 0.509 19632 4749 1 15 . 1 1 40 40 LYS H H 40 8.275 8.275 8.134 0.141 19632 4750 1 15 . 1 1 41 41 HIS N N 41 114.012 114.012 117.943 -3.931 19632 4751 1 15 . 1 1 41 41 HIS HA H 41 4.795 4.795 4.660 0.135 19632 4752 1 15 . 1 1 41 41 HIS CA C 41 54.904 54.904 55.885 -0.981 19632 4753 1 15 . 1 1 41 41 HIS CB C 41 30.835 30.835 29.497 1.339 19632 4754 1 15 . 1 1 41 41 HIS H H 41 8.040 8.040 7.895 0.145 19632 4755 1 15 . 1 1 42 42 GLY N N 42 109.068 109.068 110.755 -1.687 19632 4756 1 15 . 1 1 42 42 GLY CA C 42 44.482 44.482 44.942 -0.460 19632 4757 1 15 . 1 1 42 42 GLY H H 42 7.966 7.966 8.458 -0.492 19632 4758 1 15 . 1 1 43 43 LYS N N 43 120.287 120.287 118.719 1.568 19632 4759 1 15 . 1 1 43 43 LYS HA H 43 4.680 4.680 4.069 0.611 19632 4760 1 15 . 1 1 43 43 LYS CA C 43 54.392 54.392 56.369 -1.977 19632 4761 1 15 . 1 1 43 43 LYS CB C 43 33.511 33.511 31.401 2.110 19632 4762 1 15 . 1 1 43 43 LYS H H 43 8.209 8.209 7.696 0.513 19632 4763 1 15 . 1 1 44 44 PRO HA H 44 5.013 5.013 4.991 0.022 19632 4764 1 15 . 1 1 44 44 PRO CA C 44 62.744 62.744 63.054 -0.310 19632 4765 1 15 . 1 1 44 44 PRO CB C 44 33.747 33.747 32.455 1.292 19632 4766 1 15 . 1 1 45 45 TYR N N 45 115.140 115.140 117.404 -2.264 19632 4767 1 15 . 1 1 45 45 TYR HA H 45 4.897 4.897 4.792 0.105 19632 4768 1 15 . 1 1 45 45 TYR CA C 45 56.387 56.387 55.839 0.548 19632 4769 1 15 . 1 1 45 45 TYR CB C 45 40.574 40.574 40.436 0.138 19632 4770 1 15 . 1 1 45 45 TYR H H 45 8.176 8.176 8.061 0.115 19632 4771 1 15 . 1 1 46 46 PHE N N 46 115.001 115.001 118.997 -3.996 19632 4772 1 15 . 1 1 46 46 PHE HA H 46 5.662 5.662 4.739 0.923 19632 4773 1 15 . 1 1 46 46 PHE CA C 46 56.395 56.395 56.907 -0.512 19632 4774 1 15 . 1 1 46 46 PHE CB C 46 43.736 43.736 41.151 2.585 19632 4775 1 15 . 1 1 46 46 PHE H H 46 8.607 8.607 9.309 -0.702 19632 4776 1 15 . 1 1 47 47 LEU N N 47 121.747 121.747 126.373 -4.626 19632 4777 1 15 . 1 1 47 47 LEU HA H 47 5.339 5.339 4.911 0.428 19632 4778 1 15 . 1 1 47 47 LEU CA C 47 54.116 54.116 53.980 0.137 19632 4779 1 15 . 1 1 47 47 LEU CB C 47 44.357 44.357 43.283 1.074 19632 4780 1 15 . 1 1 47 47 LEU H H 47 9.631 9.631 9.107 0.524 19632 4781 1 15 . 1 1 48 48 VAL N N 48 122.850 122.850 127.549 -4.699 19632 4782 1 15 . 1 1 48 48 VAL HA H 48 4.476 4.476 4.647 -0.171 19632 4783 1 15 . 1 1 48 48 VAL CA C 48 61.559 61.559 61.349 0.210 19632 4784 1 15 . 1 1 48 48 VAL CB C 48 35.232 35.232 33.671 1.561 19632 4785 1 15 . 1 1 48 48 VAL H H 48 9.334 9.334 9.382 -0.048 19632 4786 1 15 . 1 1 49 49 ARG N N 49 129.488 129.488 126.272 3.216 19632 4787 1 15 . 1 1 49 49 ARG HA H 49 3.045 3.045 3.494 -0.449 19632 4788 1 15 . 1 1 49 49 ARG CA C 49 56.623 56.623 55.406 1.217 19632 4789 1 15 . 1 1 49 49 ARG CB C 49 31.326 31.326 29.921 1.405 19632 4790 1 15 . 1 1 49 49 ARG H H 49 8.451 8.451 8.642 -0.191 19632 4791 1 15 . 1 1 50 50 ALA N N 50 131.016 131.016 127.731 3.285 19632 4792 1 15 . 1 1 50 50 ALA HA H 50 4.418 4.418 4.478 -0.060 19632 4793 1 15 . 1 1 50 50 ALA CA C 50 51.502 51.502 50.461 1.041 19632 4794 1 15 . 1 1 50 50 ALA CB C 50 20.364 20.364 20.571 -0.207 19632 4795 1 15 . 1 1 50 50 ALA H H 50 8.524 8.524 7.778 0.746 19632 4796 1 15 . 1 1 51 51 ASP N N 51 112.516 112.516 119.900 -7.384 19632 4797 1 15 . 1 1 51 51 ASP HA H 51 4.413 4.413 4.384 0.029 19632 4798 1 15 . 1 1 51 51 ASP CA C 51 54.301 54.301 55.099 -0.798 19632 4799 1 15 . 1 1 51 51 ASP CB C 51 41.710 41.710 41.066 0.644 19632 4800 1 15 . 1 1 51 51 ASP H H 51 8.597 8.597 8.657 -0.060 19632 4801 1 15 . 1 1 52 52 GLY N N 52 106.147 106.147 112.588 -6.441 19632 4802 1 15 . 1 1 52 52 GLY CA C 52 45.499 45.499 45.434 0.065 19632 4803 1 15 . 1 1 52 52 GLY H H 52 8.378 8.378 8.655 -0.277 19632 4804 1 15 . 1 1 53 53 SER N N 53 115.000 115.000 115.244 -0.244 19632 4805 1 15 . 1 1 53 53 SER HA H 53 4.439 4.439 3.983 0.456 19632 4806 1 15 . 1 1 53 53 SER CA C 53 60.282 60.282 58.505 1.777 19632 4807 1 15 . 1 1 53 53 SER CB C 53 64.175 64.175 61.854 2.321 19632 4808 1 15 . 1 1 53 53 SER H H 53 8.677 8.677 7.817 0.860 19632 4809 1 15 . 1 1 54 54 ASP N N 54 119.220 119.220 124.279 -5.059 19632 4810 1 15 . 1 1 54 54 ASP HA H 54 4.595 4.595 4.510 0.085 19632 4811 1 15 . 1 1 54 54 ASP CA C 54 55.689 55.689 53.334 2.355 19632 4812 1 15 . 1 1 54 54 ASP CB C 54 41.326 41.326 39.611 1.715 19632 4813 1 15 . 1 1 54 54 ASP H H 54 8.364 8.364 8.723 -0.359 19632 4814 1 15 . 1 1 55 55 GLY N N 55 107.460 107.460 108.314 -0.854 19632 4815 1 15 . 1 1 55 55 GLY CA C 55 47.210 47.210 45.566 1.644 19632 4816 1 15 . 1 1 55 55 GLY H H 55 7.801 7.801 8.012 -0.211 19632 4817 1 15 . 1 1 56 56 ASN N N 56 116.076 116.076 116.382 -0.306 19632 4818 1 15 . 1 1 56 56 ASN HA H 56 4.997 4.997 5.477 -0.480 19632 4819 1 15 . 1 1 56 56 ASN CA C 56 53.235 53.235 51.724 1.511 19632 4820 1 15 . 1 1 56 56 ASN CB C 56 41.540 41.540 41.621 -0.081 19632 4821 1 15 . 1 1 56 56 ASN H H 56 7.919 7.919 7.537 0.382 19632 4822 1 15 . 1 1 57 57 PHE N N 57 118.405 118.405 120.882 -2.477 19632 4823 1 15 . 1 1 57 57 PHE HA H 57 5.043 5.043 5.183 -0.140 19632 4824 1 15 . 1 1 57 57 PHE CA C 57 56.786 56.786 56.608 0.178 19632 4825 1 15 . 1 1 57 57 PHE CB C 57 44.374 44.374 44.326 0.048 19632 4826 1 15 . 1 1 57 57 PHE H H 57 9.203 9.203 8.067 1.136 19632 4827 1 15 . 1 1 58 58 ILE N N 58 118.503 118.503 119.652 -1.149 19632 4828 1 15 . 1 1 58 58 ILE HA H 58 4.507 4.507 4.619 -0.112 19632 4829 1 15 . 1 1 58 58 ILE CA C 58 60.493 60.493 59.041 1.452 19632 4830 1 15 . 1 1 58 58 ILE CB C 58 42.447 42.447 40.163 2.284 19632 4831 1 15 . 1 1 58 58 ILE H H 58 9.222 9.222 9.299 -0.077 19632 4832 1 15 . 1 1 59 59 ARG N N 59 126.283 126.283 126.944 -0.661 19632 4833 1 15 . 1 1 59 59 ARG HA H 59 5.111 5.111 5.442 -0.331 19632 4834 1 15 . 1 1 59 59 ARG CA C 59 55.839 55.839 55.443 0.396 19632 4835 1 15 . 1 1 59 59 ARG CB C 59 32.157 32.157 31.766 0.391 19632 4836 1 15 . 1 1 59 59 ARG H H 59 9.298 9.298 8.092 1.206 19632 4837 1 15 . 1 1 60 60 SER N N 60 119.913 119.913 118.817 1.096 19632 4838 1 15 . 1 1 60 60 SER HA H 60 3.887 3.887 4.285 -0.398 19632 4839 1 15 . 1 1 60 60 SER CA C 60 62.373 62.373 61.256 1.117 19632 4840 1 15 . 1 1 60 60 SER CB C 60 62.777 62.777 63.414 -0.637 19632 4841 1 15 . 1 1 60 60 SER H H 60 9.698 9.698 9.051 0.647 19632 4842 1 15 . 1 1 61 61 ASP N N 61 117.504 117.504 119.644 -2.140 19632 4843 1 15 . 1 1 61 61 ASP HA H 61 4.764 4.764 4.508 0.256 19632 4844 1 15 . 1 1 61 61 ASP CA C 61 53.789 53.789 55.178 -1.389 19632 4845 1 15 . 1 1 61 61 ASP CB C 61 40.082 40.082 40.657 -0.575 19632 4846 1 15 . 1 1 61 61 ASP H H 61 8.769 8.769 8.943 -0.174 19632 4847 1 15 . 1 1 62 62 GLN N N 62 118.595 118.595 119.109 -0.514 19632 4848 1 15 . 1 1 62 62 GLN HA H 62 4.779 4.779 4.717 0.062 19632 4849 1 15 . 1 1 62 62 GLN CA C 62 54.066 54.066 53.815 0.251 19632 4850 1 15 . 1 1 62 62 GLN CB C 62 30.309 30.309 29.777 0.532 19632 4851 1 15 . 1 1 62 62 GLN H H 62 7.467 7.467 7.176 0.291 19632 4852 1 15 . 1 1 63 63 PRO HA H 63 4.662 4.662 4.506 0.156 19632 4853 1 15 . 1 1 63 63 PRO CB C 63 32.293 32.293 32.096 0.197 19632 4854 1 15 . 1 1 64 64 ASP N N 64 116.697 116.697 116.621 0.076 19632 4855 1 15 . 1 1 64 64 ASP HA H 64 4.662 4.662 4.538 0.124 19632 4856 1 15 . 1 1 64 64 ASP CA C 64 54.449 54.449 53.651 0.798 19632 4857 1 15 . 1 1 64 64 ASP CB C 64 41.201 41.201 40.513 0.688 19632 4858 1 15 . 1 1 64 64 ASP H H 64 8.389 8.389 8.624 -0.235 19632 4859 1 15 . 1 1 65 65 LYS N N 65 119.781 119.781 120.223 -0.442 19632 4860 1 15 . 1 1 65 65 LYS HA H 65 4.547 4.547 4.452 0.095 19632 4861 1 15 . 1 1 65 65 LYS CA C 65 55.469 55.469 55.382 0.087 19632 4862 1 15 . 1 1 65 65 LYS CB C 65 34.796 34.796 34.607 0.189 19632 4863 1 15 . 1 1 65 65 LYS H H 65 7.592 7.592 7.245 0.347 19632 4864 1 15 . 1 1 66 66 LEU N N 66 125.131 125.131 124.899 0.232 19632 4865 1 15 . 1 1 66 66 LEU HA H 66 4.708 4.708 4.360 0.348 19632 4866 1 15 . 1 1 66 66 LEU CA C 66 54.496 54.496 54.332 0.164 19632 4867 1 15 . 1 1 66 66 LEU CB C 66 44.010 44.010 42.500 1.510 19632 4868 1 15 . 1 1 66 66 LEU H H 66 8.300 8.300 8.408 -0.108 19632 4869 1 15 . 1 1 67 67 ILE N N 67 124.524 124.524 125.470 -0.946 19632 4870 1 15 . 1 1 67 67 ILE HA H 67 4.447 4.447 4.275 0.172 19632 4871 1 15 . 1 1 67 67 ILE CA C 67 57.824 57.824 57.790 0.034 19632 4872 1 15 . 1 1 67 67 ILE CB C 67 40.744 40.744 37.206 3.538 19632 4873 1 15 . 1 1 67 67 ILE H H 67 9.427 9.427 8.683 0.744 19632 4874 1 15 . 1 1 68 68 PRO HA H 68 4.649 4.649 4.303 0.346 19632 4875 1 15 . 1 1 68 68 PRO CB C 68 32.644 32.644 32.096 0.548 19632 4876 1 15 . 1 1 69 69 GLN N N 69 119.126 119.126 117.785 1.341 19632 4877 1 15 . 1 1 69 69 GLN HA H 69 3.730 3.730 4.032 -0.302 19632 4878 1 15 . 1 1 69 69 GLN CA C 69 59.447 59.447 57.291 2.156 19632 4879 1 15 . 1 1 69 69 GLN CB C 69 28.819 28.819 29.156 -0.337 19632 4880 1 15 . 1 1 69 69 GLN H H 69 8.386 8.386 8.380 0.006 19632 4881 1 15 . 1 1 70 70 TRP N N 70 112.076 112.076 114.413 -2.337 19632 4882 1 15 . 1 1 70 70 TRP HA H 70 4.525 4.525 4.889 -0.364 19632 4883 1 15 . 1 1 70 70 TRP CA C 70 58.197 58.197 56.933 1.264 19632 4884 1 15 . 1 1 70 70 TRP CB C 70 28.016 28.016 28.985 -0.969 19632 4885 1 15 . 1 1 70 70 TRP H H 70 6.972 6.972 7.235 -0.263 19632 4886 1 15 . 1 1 71 71 GLU N N 71 119.388 119.388 119.662 -0.274 19632 4887 1 15 . 1 1 71 71 GLU HA H 71 4.249 4.249 4.289 -0.040 19632 4888 1 15 . 1 1 71 71 GLU CA C 71 56.654 56.654 57.282 -0.628 19632 4889 1 15 . 1 1 71 71 GLU CB C 71 30.938 30.938 30.284 0.654 19632 4890 1 15 . 1 1 71 71 GLU H H 71 7.386 7.386 7.152 0.234 19632 4891 1 15 . 1 1 72 72 ILE N N 72 115.759 115.759 116.646 -0.887 19632 4892 1 15 . 1 1 72 72 ILE HA H 72 3.324 3.324 3.561 -0.237 19632 4893 1 15 . 1 1 72 72 ILE CA C 72 64.205 64.205 63.786 0.419 19632 4894 1 15 . 1 1 72 72 ILE CB C 72 38.012 38.012 37.557 0.455 19632 4895 1 15 . 1 1 72 72 ILE H H 72 6.754 6.754 7.055 -0.301 19632 4896 1 15 . 1 1 73 73 PHE N N 73 115.942 115.942 117.224 -1.282 19632 4897 1 15 . 1 1 73 73 PHE HA H 73 4.248 4.248 4.438 -0.190 19632 4898 1 15 . 1 1 73 73 PHE CA C 73 56.514 56.514 56.172 0.342 19632 4899 1 15 . 1 1 73 73 PHE CB C 73 38.479 38.479 37.999 0.480 19632 4900 1 15 . 1 1 73 73 PHE H H 73 7.388 7.388 7.292 0.096 19632 4901 1 15 . 1 1 74 74 SER N N 74 114.787 114.787 115.878 -1.091 19632 4902 1 15 . 1 1 74 74 SER HA H 74 4.358 4.358 4.276 0.082 19632 4903 1 15 . 1 1 74 74 SER CA C 74 58.265 58.265 61.002 -2.737 19632 4904 1 15 . 1 1 74 74 SER CB C 74 63.783 63.783 63.683 0.100 19632 4905 1 15 . 1 1 74 74 SER H H 74 7.203 7.203 7.803 -0.600 19632 4906 1 16 . 1 1 2 2 ALA HA H 2 4.290 4.290 4.675 -0.385 19632 4907 1 16 . 1 1 2 2 ALA CA C 2 53.589 53.589 52.034 1.555 19632 4908 1 16 . 1 1 2 2 ALA CB C 2 19.556 19.556 21.314 -1.758 19632 4909 1 16 . 1 1 5 5 ASP N N 5 116.992 116.992 120.299 -3.307 19632 4910 1 16 . 1 1 5 5 ASP HA H 5 4.622 4.622 4.842 -0.220 19632 4911 1 16 . 1 1 5 5 ASP CA C 5 54.508 54.508 53.124 1.384 19632 4912 1 16 . 1 1 5 5 ASP CB C 5 41.375 41.375 41.509 -0.134 19632 4913 1 16 . 1 1 5 5 ASP H H 5 8.372 8.372 8.409 -0.037 19632 4914 1 16 . 1 1 6 6 ALA N N 6 124.275 124.275 128.909 -4.634 19632 4915 1 16 . 1 1 6 6 ALA HA H 6 4.582 4.582 4.446 0.136 19632 4916 1 16 . 1 1 6 6 ALA CA C 6 48.068 48.068 50.521 -2.453 19632 4917 1 16 . 1 1 6 6 ALA CB C 6 18.765 18.765 18.485 0.280 19632 4918 1 16 . 1 1 6 6 ALA H H 6 7.984 7.984 8.327 -0.343 19632 4919 1 16 . 1 1 7 7 PRO HA H 7 4.486 4.486 4.550 -0.064 19632 4920 1 16 . 1 1 7 7 PRO CA C 7 63.406 63.406 61.941 1.465 19632 4921 1 16 . 1 1 7 7 PRO CB C 7 32.491 32.491 32.566 -0.075 19632 4922 1 16 . 1 1 8 8 SER N N 8 115.947 115.947 114.536 1.411 19632 4923 1 16 . 1 1 8 8 SER HA H 8 4.483 4.483 4.281 0.202 19632 4924 1 16 . 1 1 8 8 SER CA C 8 58.635 58.635 59.105 -0.471 19632 4925 1 16 . 1 1 8 8 SER CB C 8 64.447 64.447 63.464 0.983 19632 4926 1 16 . 1 1 8 8 SER H H 8 8.424 8.424 8.154 0.270 19632 4927 1 16 . 1 1 9 9 GLY N N 9 109.902 109.902 111.644 -1.742 19632 4928 1 16 . 1 1 9 9 GLY CA C 9 45.804 45.804 44.745 1.059 19632 4929 1 16 . 1 1 9 9 GLY H H 9 8.352 8.352 8.503 -0.151 19632 4930 1 16 . 1 1 10 10 GLU N N 10 119.364 119.364 122.784 -3.420 19632 4931 1 16 . 1 1 10 10 GLU HA H 10 4.808 4.808 4.657 0.151 19632 4932 1 16 . 1 1 10 10 GLU CA C 10 53.481 53.481 53.004 0.477 19632 4933 1 16 . 1 1 10 10 GLU CB C 10 30.956 30.956 30.799 0.157 19632 4934 1 16 . 1 1 10 10 GLU H H 10 8.071 8.071 8.235 -0.164 19632 4935 1 16 . 1 1 11 11 PRO HA H 11 5.012 5.012 4.944 0.068 19632 4936 1 16 . 1 1 11 11 PRO CA C 11 63.350 63.350 62.216 1.134 19632 4937 1 16 . 1 1 11 11 PRO CB C 11 34.176 34.176 32.803 1.373 19632 4938 1 16 . 1 1 12 12 ASP N N 12 122.007 122.007 125.858 -3.851 19632 4939 1 16 . 1 1 12 12 ASP HA H 12 5.030 5.030 4.967 0.063 19632 4940 1 16 . 1 1 12 12 ASP CA C 12 53.249 53.249 53.066 0.183 19632 4941 1 16 . 1 1 12 12 ASP CB C 12 45.006 45.006 43.576 1.430 19632 4942 1 16 . 1 1 12 12 ASP H H 12 9.396 9.396 8.508 0.888 19632 4943 1 16 . 1 1 13 13 VAL N N 13 120.517 120.517 125.869 -5.352 19632 4944 1 16 . 1 1 13 13 VAL HA H 13 5.090 5.090 4.043 1.047 19632 4945 1 16 . 1 1 13 13 VAL CA C 13 59.653 59.653 61.749 -2.096 19632 4946 1 16 . 1 1 13 13 VAL CB C 13 35.347 35.347 32.030 3.317 19632 4947 1 16 . 1 1 13 13 VAL H H 13 8.402 8.402 8.528 -0.126 19632 4948 1 16 . 1 1 14 14 THR N N 14 122.388 122.388 126.159 -3.771 19632 4949 1 16 . 1 1 14 14 THR HA H 14 4.465 4.465 4.352 0.113 19632 4950 1 16 . 1 1 14 14 THR CA C 14 61.591 61.591 62.569 -0.978 19632 4951 1 16 . 1 1 14 14 THR CB C 14 71.537 71.537 68.654 2.882 19632 4952 1 16 . 1 1 14 14 THR H H 14 8.397 8.397 8.769 -0.372 19632 4953 1 16 . 1 1 15 15 ILE N N 15 125.929 125.929 128.089 -2.160 19632 4954 1 16 . 1 1 15 15 ILE HA H 15 4.882 4.882 3.940 0.942 19632 4955 1 16 . 1 1 15 15 ILE CA C 15 60.655 60.655 61.480 -0.825 19632 4956 1 16 . 1 1 15 15 ILE CB C 15 40.004 40.004 37.009 2.995 19632 4957 1 16 . 1 1 15 15 ILE H H 15 8.628 8.628 8.344 0.284 19632 4958 1 16 . 1 1 16 16 ARG N N 16 125.332 125.332 127.823 -2.491 19632 4959 1 16 . 1 1 16 16 ARG HA H 16 4.662 4.662 4.596 0.066 19632 4960 1 16 . 1 1 16 16 ARG CA C 16 54.731 54.731 53.350 1.381 19632 4961 1 16 . 1 1 16 16 ARG CB C 16 33.731 33.731 32.805 0.926 19632 4962 1 16 . 1 1 16 16 ARG H H 16 9.057 9.057 8.383 0.674 19632 4963 1 16 . 1 1 17 17 GLN N N 17 121.044 121.044 120.657 0.387 19632 4964 1 16 . 1 1 17 17 GLN HA H 17 4.803 4.803 4.636 0.167 19632 4965 1 16 . 1 1 17 17 GLN CA C 17 55.241 55.241 55.465 -0.224 19632 4966 1 16 . 1 1 17 17 GLN CB C 17 30.461 30.461 29.953 0.509 19632 4967 1 16 . 1 1 17 17 GLN H H 17 8.508 8.508 8.513 -0.005 19632 4968 1 16 . 1 1 18 18 GLU N N 18 125.409 125.409 123.316 2.093 19632 4969 1 16 . 1 1 18 18 GLU HA H 18 4.529 4.529 4.401 0.128 19632 4970 1 16 . 1 1 18 18 GLU CA C 18 55.018 55.018 55.219 -0.201 19632 4971 1 16 . 1 1 18 18 GLU CB C 18 31.654 31.654 29.673 1.981 19632 4972 1 16 . 1 1 18 18 GLU H H 18 8.394 8.394 8.439 -0.045 19632 4973 1 16 . 1 1 19 19 GLY N N 19 114.286 114.286 109.203 5.083 19632 4974 1 16 . 1 1 19 19 GLY CA C 19 47.887 47.887 44.934 2.953 19632 4975 1 16 . 1 1 19 19 GLY H H 19 8.804 8.804 8.073 0.731 19632 4976 1 16 . 1 1 20 20 ASP N N 20 124.137 124.137 122.566 1.571 19632 4977 1 16 . 1 1 20 20 ASP HA H 20 4.536 4.536 4.617 -0.081 19632 4978 1 16 . 1 1 20 20 ASP CA C 20 54.019 54.019 54.577 -0.558 19632 4979 1 16 . 1 1 20 20 ASP CB C 20 41.053 41.053 41.379 -0.326 19632 4980 1 16 . 1 1 20 20 ASP H H 20 8.519 8.519 8.750 -0.231 19632 4981 1 16 . 1 1 21 21 LYS N N 21 116.711 116.711 116.548 0.163 19632 4982 1 16 . 1 1 21 21 LYS HA H 21 4.648 4.648 5.165 -0.517 19632 4983 1 16 . 1 1 21 21 LYS CA C 21 55.468 55.468 54.899 0.569 19632 4984 1 16 . 1 1 21 21 LYS CB C 21 34.941 34.941 35.578 -0.637 19632 4985 1 16 . 1 1 21 21 LYS H H 21 7.696 7.696 7.473 0.223 19632 4986 1 16 . 1 1 22 22 THR N N 22 118.655 118.655 121.784 -3.129 19632 4987 1 16 . 1 1 22 22 THR HA H 22 4.541 4.541 4.687 -0.146 19632 4988 1 16 . 1 1 22 22 THR CA C 22 62.936 62.936 63.165 -0.229 19632 4989 1 16 . 1 1 22 22 THR CB C 22 70.275 70.275 68.558 1.717 19632 4990 1 16 . 1 1 22 22 THR H H 22 7.994 7.994 8.498 -0.504 19632 4991 1 16 . 1 1 23 23 ILE N N 23 126.114 126.114 129.279 -3.165 19632 4992 1 16 . 1 1 23 23 ILE HA H 23 4.699 4.699 4.142 0.557 19632 4993 1 16 . 1 1 23 23 ILE CA C 23 59.119 59.119 60.538 -1.419 19632 4994 1 16 . 1 1 23 23 ILE CB C 23 40.729 40.729 37.863 2.866 19632 4995 1 16 . 1 1 23 23 ILE H H 23 8.957 8.957 8.522 0.435 19632 4996 1 16 . 1 1 24 24 GLN N N 24 123.560 123.560 127.965 -4.405 19632 4997 1 16 . 1 1 24 24 GLN HA H 24 5.121 5.121 4.884 0.237 19632 4998 1 16 . 1 1 24 24 GLN CA C 24 53.653 53.653 54.120 -0.467 19632 4999 1 16 . 1 1 24 24 GLN CB C 24 30.573 30.573 30.019 0.554 19632 5000 1 16 . 1 1 24 24 GLN H H 24 8.932 8.932 9.003 -0.071 19632 5001 1 16 . 1 1 25 25 GLU N N 25 122.651 122.651 125.064 -2.413 19632 5002 1 16 . 1 1 25 25 GLU HA H 25 4.462 4.462 4.493 -0.031 19632 5003 1 16 . 1 1 25 25 GLU CA C 25 55.548 55.548 55.424 0.124 19632 5004 1 16 . 1 1 25 25 GLU CB C 25 32.644 32.644 30.046 2.598 19632 5005 1 16 . 1 1 25 25 GLU H H 25 8.987 8.987 8.911 0.076 19632 5006 1 16 . 1 1 26 26 TYR N N 26 124.044 124.044 126.796 -2.752 19632 5007 1 16 . 1 1 26 26 TYR HA H 26 4.756 4.756 4.285 0.471 19632 5008 1 16 . 1 1 26 26 TYR CA C 26 58.317 58.317 58.609 -0.292 19632 5009 1 16 . 1 1 26 26 TYR CB C 26 38.543 38.543 37.403 1.140 19632 5010 1 16 . 1 1 26 26 TYR H H 26 8.930 8.930 8.951 -0.021 19632 5011 1 16 . 1 1 27 27 ARG N N 27 119.739 119.739 124.567 -4.828 19632 5012 1 16 . 1 1 27 27 ARG HA H 27 5.657 5.657 5.378 0.279 19632 5013 1 16 . 1 1 27 27 ARG CA C 27 53.860 53.860 54.600 -0.740 19632 5014 1 16 . 1 1 27 27 ARG CB C 27 36.310 36.310 33.529 2.781 19632 5015 1 16 . 1 1 27 27 ARG H H 27 8.496 8.496 8.415 0.081 19632 5016 1 16 . 1 1 28 28 VAL N N 28 115.698 115.698 123.595 -7.897 19632 5017 1 16 . 1 1 28 28 VAL HA H 28 4.526 4.526 4.271 0.255 19632 5018 1 16 . 1 1 28 28 VAL CA C 28 60.002 60.002 64.512 -4.510 19632 5019 1 16 . 1 1 28 28 VAL CB C 28 34.889 34.889 33.059 1.830 19632 5020 1 16 . 1 1 28 28 VAL H H 28 8.716 8.716 8.414 0.302 19632 5021 1 16 . 1 1 29 29 ASN N N 29 128.827 128.827 119.164 9.663 19632 5022 1 16 . 1 1 29 29 ASN HA H 29 4.309 4.309 4.929 -0.620 19632 5023 1 16 . 1 1 29 29 ASN CA C 29 54.385 54.385 52.963 1.422 19632 5024 1 16 . 1 1 29 29 ASN CB C 29 38.270 38.270 37.542 0.728 19632 5025 1 16 . 1 1 29 29 ASN H H 29 9.605 9.605 8.530 1.075 19632 5026 1 16 . 1 1 30 30 GLY N N 30 103.111 103.111 107.683 -4.572 19632 5027 1 16 . 1 1 30 30 GLY CA C 30 45.901 45.901 45.588 0.313 19632 5028 1 16 . 1 1 30 30 GLY H H 30 8.784 8.784 8.500 0.284 19632 5029 1 16 . 1 1 31 31 PHE N N 31 123.693 123.693 119.795 3.898 19632 5030 1 16 . 1 1 31 31 PHE HA H 31 4.529 4.529 4.840 -0.311 19632 5031 1 16 . 1 1 31 31 PHE CA C 31 57.924 57.924 56.528 1.396 19632 5032 1 16 . 1 1 31 31 PHE CB C 31 40.207 40.207 41.619 -1.412 19632 5033 1 16 . 1 1 31 31 PHE H H 31 8.191 8.191 7.657 0.534 19632 5034 1 16 . 1 1 32 32 LEU N N 32 130.348 130.348 129.884 0.464 19632 5035 1 16 . 1 1 32 32 LEU HA H 32 4.427 4.427 4.623 -0.196 19632 5036 1 16 . 1 1 32 32 LEU CA C 32 55.517 55.517 53.626 1.891 19632 5037 1 16 . 1 1 32 32 LEU CB C 32 42.468 42.468 42.464 0.004 19632 5038 1 16 . 1 1 32 32 LEU H H 32 8.171 8.171 8.388 -0.217 19632 5039 1 16 . 1 1 33 33 TYR N N 33 124.923 124.923 121.137 3.786 19632 5040 1 16 . 1 1 33 33 TYR HA H 33 4.557 4.557 4.633 -0.076 19632 5041 1 16 . 1 1 33 33 TYR CA C 33 56.404 56.404 55.983 0.422 19632 5042 1 16 . 1 1 33 33 TYR CB C 33 39.131 39.131 39.634 -0.503 19632 5043 1 16 . 1 1 33 33 TYR H H 33 8.415 8.415 8.474 -0.059 19632 5044 1 16 . 1 1 34 34 ALA N N 34 120.211 120.211 120.525 -0.314 19632 5045 1 16 . 1 1 34 34 ALA HA H 34 5.528 5.528 5.357 0.171 19632 5046 1 16 . 1 1 34 34 ALA CA C 34 52.196 52.196 51.789 0.407 19632 5047 1 16 . 1 1 34 34 ALA CB C 34 22.633 22.633 21.929 0.704 19632 5048 1 16 . 1 1 34 34 ALA H H 34 7.399 7.399 7.167 0.232 19632 5049 1 16 . 1 1 35 35 ILE N N 35 118.197 118.197 122.030 -3.833 19632 5050 1 16 . 1 1 35 35 ILE HA H 35 5.157 5.157 5.041 0.116 19632 5051 1 16 . 1 1 35 35 ILE CA C 35 60.000 60.000 60.271 -0.271 19632 5052 1 16 . 1 1 35 35 ILE CB C 35 43.639 43.639 41.049 2.590 19632 5053 1 16 . 1 1 35 35 ILE H H 35 9.224 9.224 8.407 0.817 19632 5054 1 16 . 1 1 36 36 LYS N N 36 127.872 127.872 129.649 -1.777 19632 5055 1 16 . 1 1 36 36 LYS HA H 36 4.204 4.204 4.839 -0.635 19632 5056 1 16 . 1 1 36 36 LYS CA C 36 55.245 55.245 54.461 0.784 19632 5057 1 16 . 1 1 36 36 LYS CB C 36 36.092 36.092 34.165 1.927 19632 5058 1 16 . 1 1 36 36 LYS H H 36 9.708 9.708 8.953 0.755 19632 5059 1 16 . 1 1 37 37 VAL N N 37 128.005 128.005 127.643 0.362 19632 5060 1 16 . 1 1 37 37 VAL HA H 37 4.043 4.043 4.692 -0.649 19632 5061 1 16 . 1 1 37 37 VAL CA C 37 61.840 61.840 59.168 2.672 19632 5062 1 16 . 1 1 37 37 VAL CB C 37 32.523 32.523 33.965 -1.442 19632 5063 1 16 . 1 1 37 37 VAL H H 37 8.551 8.551 7.829 0.722 19632 5064 1 16 . 1 1 38 38 VAL N N 38 125.034 125.034 128.889 -3.855 19632 5065 1 16 . 1 1 38 38 VAL HA H 38 4.277 4.277 4.387 -0.110 19632 5066 1 16 . 1 1 38 38 VAL CA C 38 59.287 59.287 58.608 0.679 19632 5067 1 16 . 1 1 38 38 VAL CB C 38 32.568 32.568 31.062 1.506 19632 5068 1 16 . 1 1 38 38 VAL H H 38 8.668 8.668 8.792 -0.124 19632 5069 1 16 . 1 1 39 39 PRO HA H 39 4.565 4.565 4.990 -0.425 19632 5070 1 16 . 1 1 39 39 PRO CA C 39 62.202 62.202 61.770 0.432 19632 5071 1 16 . 1 1 39 39 PRO CB C 39 32.887 32.887 33.039 -0.152 19632 5072 1 16 . 1 1 40 40 LYS N N 40 121.622 121.622 120.511 1.111 19632 5073 1 16 . 1 1 40 40 LYS HA H 40 3.877 3.877 4.060 -0.183 19632 5074 1 16 . 1 1 40 40 LYS CA C 40 58.950 58.950 57.747 1.203 19632 5075 1 16 . 1 1 40 40 LYS CB C 40 32.988 32.988 32.223 0.765 19632 5076 1 16 . 1 1 40 40 LYS H H 40 8.275 8.275 8.755 -0.480 19632 5077 1 16 . 1 1 41 41 HIS N N 41 114.012 114.012 114.247 -0.235 19632 5078 1 16 . 1 1 41 41 HIS HA H 41 4.795 4.795 4.808 -0.013 19632 5079 1 16 . 1 1 41 41 HIS CA C 41 54.904 54.904 55.698 -0.794 19632 5080 1 16 . 1 1 41 41 HIS CB C 41 30.835 30.835 29.612 1.223 19632 5081 1 16 . 1 1 41 41 HIS H H 41 8.040 8.040 8.013 0.027 19632 5082 1 16 . 1 1 42 42 GLY N N 42 109.068 109.068 107.956 1.112 19632 5083 1 16 . 1 1 42 42 GLY CA C 42 44.482 44.482 45.553 -1.071 19632 5084 1 16 . 1 1 42 42 GLY H H 42 7.966 7.966 7.379 0.587 19632 5085 1 16 . 1 1 43 43 LYS N N 43 120.287 120.287 120.828 -0.541 19632 5086 1 16 . 1 1 43 43 LYS HA H 43 4.680 4.680 4.816 -0.136 19632 5087 1 16 . 1 1 43 43 LYS CA C 43 54.392 54.392 53.473 0.919 19632 5088 1 16 . 1 1 43 43 LYS CB C 43 33.511 33.511 33.850 -0.339 19632 5089 1 16 . 1 1 43 43 LYS H H 43 8.209 8.209 8.327 -0.118 19632 5090 1 16 . 1 1 44 44 PRO HA H 44 5.013 5.013 4.651 0.362 19632 5091 1 16 . 1 1 44 44 PRO CA C 44 62.744 62.744 62.996 -0.252 19632 5092 1 16 . 1 1 44 44 PRO CB C 44 33.747 33.747 31.801 1.946 19632 5093 1 16 . 1 1 45 45 TYR N N 45 115.140 115.140 120.887 -5.747 19632 5094 1 16 . 1 1 45 45 TYR HA H 45 4.897 4.897 4.861 0.036 19632 5095 1 16 . 1 1 45 45 TYR CA C 45 56.387 56.387 55.158 1.229 19632 5096 1 16 . 1 1 45 45 TYR CB C 45 40.574 40.574 40.267 0.307 19632 5097 1 16 . 1 1 45 45 TYR H H 45 8.176 8.176 8.140 0.036 19632 5098 1 16 . 1 1 46 46 PHE N N 46 115.001 115.001 118.907 -3.906 19632 5099 1 16 . 1 1 46 46 PHE HA H 46 5.662 5.662 4.891 0.771 19632 5100 1 16 . 1 1 46 46 PHE CA C 46 56.395 56.395 56.455 -0.060 19632 5101 1 16 . 1 1 46 46 PHE CB C 46 43.736 43.736 40.940 2.796 19632 5102 1 16 . 1 1 46 46 PHE H H 46 8.607 8.607 8.780 -0.173 19632 5103 1 16 . 1 1 47 47 LEU N N 47 121.747 121.747 124.270 -2.523 19632 5104 1 16 . 1 1 47 47 LEU HA H 47 5.339 5.339 5.239 0.100 19632 5105 1 16 . 1 1 47 47 LEU CA C 47 54.116 54.116 54.042 0.074 19632 5106 1 16 . 1 1 47 47 LEU CB C 47 44.357 44.357 42.683 1.674 19632 5107 1 16 . 1 1 47 47 LEU H H 47 9.631 9.631 9.035 0.596 19632 5108 1 16 . 1 1 48 48 VAL N N 48 122.850 122.850 125.687 -2.837 19632 5109 1 16 . 1 1 48 48 VAL HA H 48 4.476 4.476 4.332 0.144 19632 5110 1 16 . 1 1 48 48 VAL CA C 48 61.559 61.559 62.372 -0.813 19632 5111 1 16 . 1 1 48 48 VAL CB C 48 35.232 35.232 32.464 2.768 19632 5112 1 16 . 1 1 48 48 VAL H H 48 9.334 9.334 9.072 0.262 19632 5113 1 16 . 1 1 49 49 ARG N N 49 129.488 129.488 129.060 0.428 19632 5114 1 16 . 1 1 49 49 ARG HA H 49 3.045 3.045 3.703 -0.658 19632 5115 1 16 . 1 1 49 49 ARG CA C 49 56.623 56.623 54.071 2.552 19632 5116 1 16 . 1 1 49 49 ARG CB C 49 31.326 31.326 29.894 1.432 19632 5117 1 16 . 1 1 49 49 ARG H H 49 8.451 8.451 8.119 0.332 19632 5118 1 16 . 1 1 50 50 ALA N N 50 131.016 131.016 130.722 0.294 19632 5119 1 16 . 1 1 50 50 ALA HA H 50 4.418 4.418 4.245 0.173 19632 5120 1 16 . 1 1 50 50 ALA CA C 50 51.502 51.502 52.477 -0.975 19632 5121 1 16 . 1 1 50 50 ALA CB C 50 20.364 20.364 19.875 0.489 19632 5122 1 16 . 1 1 50 50 ALA H H 50 8.524 8.524 8.508 0.016 19632 5123 1 16 . 1 1 51 51 ASP N N 51 112.516 112.516 122.806 -10.290 19632 5124 1 16 . 1 1 51 51 ASP HA H 51 4.413 4.413 4.541 -0.128 19632 5125 1 16 . 1 1 51 51 ASP CA C 51 54.301 54.301 53.861 0.439 19632 5126 1 16 . 1 1 51 51 ASP CB C 51 41.710 41.710 41.632 0.078 19632 5127 1 16 . 1 1 51 51 ASP H H 51 8.597 8.597 8.415 0.182 19632 5128 1 16 . 1 1 52 52 GLY N N 52 106.147 106.147 109.538 -3.391 19632 5129 1 16 . 1 1 52 52 GLY CA C 52 45.499 45.499 45.223 0.276 19632 5130 1 16 . 1 1 52 52 GLY H H 52 8.378 8.378 8.477 -0.099 19632 5131 1 16 . 1 1 53 53 SER N N 53 115.000 115.000 112.565 2.435 19632 5132 1 16 . 1 1 53 53 SER HA H 53 4.439 4.439 4.051 0.388 19632 5133 1 16 . 1 1 53 53 SER CA C 53 60.282 60.282 59.328 0.954 19632 5134 1 16 . 1 1 53 53 SER CB C 53 64.175 64.175 62.292 1.883 19632 5135 1 16 . 1 1 53 53 SER H H 53 8.677 8.677 8.443 0.234 19632 5136 1 16 . 1 1 54 54 ASP N N 54 119.220 119.220 119.640 -0.420 19632 5137 1 16 . 1 1 54 54 ASP HA H 54 4.595 4.595 4.356 0.239 19632 5138 1 16 . 1 1 54 54 ASP CA C 54 55.689 55.689 55.711 -0.022 19632 5139 1 16 . 1 1 54 54 ASP CB C 54 41.326 41.326 41.278 0.048 19632 5140 1 16 . 1 1 54 54 ASP H H 54 8.364 8.364 7.771 0.593 19632 5141 1 16 . 1 1 55 55 GLY N N 55 107.460 107.460 107.880 -0.420 19632 5142 1 16 . 1 1 55 55 GLY CA C 55 47.210 47.210 44.883 2.328 19632 5143 1 16 . 1 1 55 55 GLY H H 55 7.801 7.801 8.033 -0.232 19632 5144 1 16 . 1 1 56 56 ASN N N 56 116.076 116.076 121.620 -5.544 19632 5145 1 16 . 1 1 56 56 ASN HA H 56 4.997 4.997 4.810 0.187 19632 5146 1 16 . 1 1 56 56 ASN CA C 56 53.235 53.235 53.798 -0.563 19632 5147 1 16 . 1 1 56 56 ASN CB C 56 41.540 41.540 39.887 1.653 19632 5148 1 16 . 1 1 56 56 ASN H H 56 7.919 7.919 7.899 0.020 19632 5149 1 16 . 1 1 57 57 PHE N N 57 118.405 118.405 120.684 -2.279 19632 5150 1 16 . 1 1 57 57 PHE HA H 57 5.043 5.043 5.349 -0.306 19632 5151 1 16 . 1 1 57 57 PHE CA C 57 56.786 56.786 56.710 0.076 19632 5152 1 16 . 1 1 57 57 PHE CB C 57 44.374 44.374 42.374 2.000 19632 5153 1 16 . 1 1 57 57 PHE H H 57 9.203 9.203 8.662 0.541 19632 5154 1 16 . 1 1 58 58 ILE N N 58 118.503 118.503 120.698 -2.195 19632 5155 1 16 . 1 1 58 58 ILE HA H 58 4.507 4.507 4.603 -0.096 19632 5156 1 16 . 1 1 58 58 ILE CA C 58 60.493 60.493 58.907 1.585 19632 5157 1 16 . 1 1 58 58 ILE CB C 58 42.447 42.447 39.366 3.081 19632 5158 1 16 . 1 1 58 58 ILE H H 58 9.222 9.222 9.095 0.127 19632 5159 1 16 . 1 1 59 59 ARG N N 59 126.283 126.283 127.167 -0.884 19632 5160 1 16 . 1 1 59 59 ARG HA H 59 5.111 5.111 4.982 0.129 19632 5161 1 16 . 1 1 59 59 ARG CA C 59 55.839 55.839 55.919 -0.080 19632 5162 1 16 . 1 1 59 59 ARG CB C 59 32.157 32.157 32.114 0.043 19632 5163 1 16 . 1 1 59 59 ARG H H 59 9.298 9.298 8.093 1.205 19632 5164 1 16 . 1 1 60 60 SER N N 60 119.913 119.913 122.384 -2.471 19632 5165 1 16 . 1 1 60 60 SER HA H 60 3.887 3.887 4.342 -0.455 19632 5166 1 16 . 1 1 60 60 SER CA C 60 62.373 62.373 61.121 1.252 19632 5167 1 16 . 1 1 60 60 SER CB C 60 62.777 62.777 63.195 -0.418 19632 5168 1 16 . 1 1 60 60 SER H H 60 9.698 9.698 8.954 0.744 19632 5169 1 16 . 1 1 61 61 ASP N N 61 117.504 117.504 120.160 -2.656 19632 5170 1 16 . 1 1 61 61 ASP HA H 61 4.764 4.764 4.551 0.213 19632 5171 1 16 . 1 1 61 61 ASP CA C 61 53.789 53.789 56.206 -2.417 19632 5172 1 16 . 1 1 61 61 ASP CB C 61 40.082 40.082 40.957 -0.875 19632 5173 1 16 . 1 1 61 61 ASP H H 61 8.769 8.769 8.759 0.010 19632 5174 1 16 . 1 1 62 62 GLN N N 62 118.595 118.595 116.649 1.946 19632 5175 1 16 . 1 1 62 62 GLN HA H 62 4.779 4.779 4.771 0.008 19632 5176 1 16 . 1 1 62 62 GLN CA C 62 54.066 54.066 53.432 0.634 19632 5177 1 16 . 1 1 62 62 GLN CB C 62 30.309 30.309 29.747 0.562 19632 5178 1 16 . 1 1 62 62 GLN H H 62 7.467 7.467 7.453 0.014 19632 5179 1 16 . 1 1 63 63 PRO HA H 63 4.662 4.662 4.537 0.125 19632 5180 1 16 . 1 1 63 63 PRO CB C 63 32.293 32.293 32.096 0.196 19632 5181 1 16 . 1 1 64 64 ASP N N 64 116.697 116.697 116.878 -0.181 19632 5182 1 16 . 1 1 64 64 ASP HA H 64 4.662 4.662 4.631 0.031 19632 5183 1 16 . 1 1 64 64 ASP CA C 64 54.449 54.449 54.404 0.045 19632 5184 1 16 . 1 1 64 64 ASP CB C 64 41.201 41.201 40.766 0.435 19632 5185 1 16 . 1 1 64 64 ASP H H 64 8.389 8.389 8.397 -0.008 19632 5186 1 16 . 1 1 65 65 LYS N N 65 119.781 119.781 121.990 -2.209 19632 5187 1 16 . 1 1 65 65 LYS HA H 65 4.547 4.547 4.545 0.002 19632 5188 1 16 . 1 1 65 65 LYS CA C 65 55.469 55.469 55.433 0.036 19632 5189 1 16 . 1 1 65 65 LYS CB C 65 34.796 34.796 33.249 1.547 19632 5190 1 16 . 1 1 65 65 LYS H H 65 7.592 7.592 7.592 -0.000 19632 5191 1 16 . 1 1 66 66 LEU N N 66 125.131 125.131 126.933 -1.802 19632 5192 1 16 . 1 1 66 66 LEU HA H 66 4.708 4.708 4.518 0.190 19632 5193 1 16 . 1 1 66 66 LEU CA C 66 54.496 54.496 54.499 -0.003 19632 5194 1 16 . 1 1 66 66 LEU CB C 66 44.010 44.010 42.541 1.469 19632 5195 1 16 . 1 1 66 66 LEU H H 66 8.300 8.300 8.515 -0.215 19632 5196 1 16 . 1 1 67 67 ILE N N 67 124.524 124.524 126.041 -1.517 19632 5197 1 16 . 1 1 67 67 ILE HA H 67 4.447 4.447 4.411 0.036 19632 5198 1 16 . 1 1 67 67 ILE CA C 67 57.824 57.824 57.341 0.483 19632 5199 1 16 . 1 1 67 67 ILE CB C 67 40.744 40.744 37.947 2.796 19632 5200 1 16 . 1 1 67 67 ILE H H 67 9.427 9.427 9.085 0.342 19632 5201 1 16 . 1 1 68 68 PRO HA H 68 4.649 4.649 4.414 0.235 19632 5202 1 16 . 1 1 68 68 PRO CB C 68 32.644 32.644 31.919 0.725 19632 5203 1 16 . 1 1 69 69 GLN N N 69 119.126 119.126 118.125 1.001 19632 5204 1 16 . 1 1 69 69 GLN HA H 69 3.730 3.730 4.195 -0.465 19632 5205 1 16 . 1 1 69 69 GLN CA C 69 59.447 59.447 57.900 1.547 19632 5206 1 16 . 1 1 69 69 GLN CB C 69 28.819 28.819 29.034 -0.215 19632 5207 1 16 . 1 1 69 69 GLN H H 69 8.386 8.386 8.542 -0.156 19632 5208 1 16 . 1 1 70 70 TRP N N 70 112.076 112.076 114.769 -2.693 19632 5209 1 16 . 1 1 70 70 TRP HA H 70 4.525 4.525 4.926 -0.401 19632 5210 1 16 . 1 1 70 70 TRP CA C 70 58.197 58.197 56.415 1.782 19632 5211 1 16 . 1 1 70 70 TRP CB C 70 28.016 28.016 29.380 -1.364 19632 5212 1 16 . 1 1 70 70 TRP H H 70 6.972 6.972 7.271 -0.299 19632 5213 1 16 . 1 1 71 71 GLU N N 71 119.388 119.388 118.326 1.062 19632 5214 1 16 . 1 1 71 71 GLU HA H 71 4.249 4.249 4.291 -0.042 19632 5215 1 16 . 1 1 71 71 GLU CA C 71 56.654 56.654 55.183 1.471 19632 5216 1 16 . 1 1 71 71 GLU CB C 71 30.938 30.938 30.363 0.575 19632 5217 1 16 . 1 1 71 71 GLU H H 71 7.386 7.386 7.216 0.170 19632 5218 1 16 . 1 1 72 72 ILE N N 72 115.759 115.759 112.828 2.931 19632 5219 1 16 . 1 1 72 72 ILE HA H 72 3.324 3.324 3.951 -0.627 19632 5220 1 16 . 1 1 72 72 ILE CA C 72 64.205 64.205 62.800 1.405 19632 5221 1 16 . 1 1 72 72 ILE CB C 72 38.012 38.012 38.301 -0.289 19632 5222 1 16 . 1 1 72 72 ILE H H 72 6.754 6.754 6.994 -0.240 19632 5223 1 16 . 1 1 73 73 PHE N N 73 115.942 115.942 114.723 1.219 19632 5224 1 16 . 1 1 73 73 PHE HA H 73 4.248 4.248 3.491 0.757 19632 5225 1 16 . 1 1 73 73 PHE CA C 73 56.514 56.514 56.426 0.088 19632 5226 1 16 . 1 1 73 73 PHE CB C 73 38.479 38.479 38.014 0.465 19632 5227 1 16 . 1 1 73 73 PHE H H 73 7.388 7.388 7.121 0.267 19632 5228 1 16 . 1 1 74 74 SER N N 74 114.787 114.787 114.815 -0.028 19632 5229 1 16 . 1 1 74 74 SER HA H 74 4.358 4.358 3.880 0.478 19632 5230 1 16 . 1 1 74 74 SER CA C 74 58.265 58.265 60.489 -2.224 19632 5231 1 16 . 1 1 74 74 SER CB C 74 63.783 63.783 62.830 0.953 19632 5232 1 16 . 1 1 74 74 SER H H 74 7.203 7.203 7.736 -0.533 19632 5233 1 17 . 1 1 2 2 ALA HA H 2 4.290 4.290 4.939 -0.649 19632 5234 1 17 . 1 1 2 2 ALA CA C 2 53.589 53.589 53.597 -0.008 19632 5235 1 17 . 1 1 2 2 ALA CB C 2 19.556 19.556 19.715 -0.159 19632 5236 1 17 . 1 1 5 5 ASP N N 5 116.992 116.992 125.372 -8.380 19632 5237 1 17 . 1 1 5 5 ASP HA H 5 4.622 4.622 4.802 -0.180 19632 5238 1 17 . 1 1 5 5 ASP CA C 5 54.508 54.508 54.050 0.458 19632 5239 1 17 . 1 1 5 5 ASP CB C 5 41.375 41.375 41.758 -0.383 19632 5240 1 17 . 1 1 5 5 ASP H H 5 8.372 8.372 8.542 -0.170 19632 5241 1 17 . 1 1 6 6 ALA N N 6 124.275 124.275 129.281 -5.006 19632 5242 1 17 . 1 1 6 6 ALA HA H 6 4.582 4.582 4.594 -0.012 19632 5243 1 17 . 1 1 6 6 ALA CA C 6 48.068 48.068 50.482 -2.414 19632 5244 1 17 . 1 1 6 6 ALA CB C 6 18.765 18.765 18.433 0.332 19632 5245 1 17 . 1 1 6 6 ALA H H 6 7.984 7.984 8.266 -0.282 19632 5246 1 17 . 1 1 7 7 PRO HA H 7 4.486 4.486 4.519 -0.033 19632 5247 1 17 . 1 1 7 7 PRO CA C 7 63.406 63.406 62.231 1.175 19632 5248 1 17 . 1 1 7 7 PRO CB C 7 32.491 32.491 32.326 0.165 19632 5249 1 17 . 1 1 8 8 SER N N 8 115.947 115.947 113.841 2.106 19632 5250 1 17 . 1 1 8 8 SER HA H 8 4.483 4.483 4.321 0.162 19632 5251 1 17 . 1 1 8 8 SER CA C 8 58.635 58.635 58.645 -0.010 19632 5252 1 17 . 1 1 8 8 SER CB C 8 64.447 64.447 63.333 1.114 19632 5253 1 17 . 1 1 8 8 SER H H 8 8.424 8.424 8.177 0.247 19632 5254 1 17 . 1 1 9 9 GLY N N 9 109.902 109.902 109.891 0.011 19632 5255 1 17 . 1 1 9 9 GLY CA C 9 45.804 45.804 45.217 0.587 19632 5256 1 17 . 1 1 9 9 GLY H H 9 8.352 8.352 8.654 -0.302 19632 5257 1 17 . 1 1 10 10 GLU N N 10 119.364 119.364 120.535 -1.171 19632 5258 1 17 . 1 1 10 10 GLU HA H 10 4.808 4.808 4.734 0.074 19632 5259 1 17 . 1 1 10 10 GLU CA C 10 53.481 53.481 52.515 0.966 19632 5260 1 17 . 1 1 10 10 GLU CB C 10 30.956 30.956 30.515 0.441 19632 5261 1 17 . 1 1 10 10 GLU H H 10 8.071 8.071 8.109 -0.038 19632 5262 1 17 . 1 1 11 11 PRO HA H 11 5.012 5.012 5.182 -0.170 19632 5263 1 17 . 1 1 11 11 PRO CA C 11 63.350 63.350 62.532 0.818 19632 5264 1 17 . 1 1 11 11 PRO CB C 11 34.176 34.176 32.339 1.837 19632 5265 1 17 . 1 1 12 12 ASP N N 12 122.007 122.007 124.803 -2.796 19632 5266 1 17 . 1 1 12 12 ASP HA H 12 5.030 5.030 4.824 0.206 19632 5267 1 17 . 1 1 12 12 ASP CA C 12 53.249 53.249 52.863 0.386 19632 5268 1 17 . 1 1 12 12 ASP CB C 12 45.006 45.006 44.133 0.873 19632 5269 1 17 . 1 1 12 12 ASP H H 12 9.396 9.396 8.887 0.509 19632 5270 1 17 . 1 1 13 13 VAL N N 13 120.517 120.517 120.189 0.328 19632 5271 1 17 . 1 1 13 13 VAL HA H 13 5.090 5.090 4.609 0.481 19632 5272 1 17 . 1 1 13 13 VAL CA C 13 59.653 59.653 59.828 -0.175 19632 5273 1 17 . 1 1 13 13 VAL CB C 13 35.347 35.347 34.004 1.343 19632 5274 1 17 . 1 1 13 13 VAL H H 13 8.402 8.402 8.397 0.005 19632 5275 1 17 . 1 1 14 14 THR N N 14 122.388 122.388 126.188 -3.800 19632 5276 1 17 . 1 1 14 14 THR HA H 14 4.465 4.465 4.415 0.050 19632 5277 1 17 . 1 1 14 14 THR CA C 14 61.591 61.591 61.887 -0.296 19632 5278 1 17 . 1 1 14 14 THR CB C 14 71.537 71.537 69.041 2.496 19632 5279 1 17 . 1 1 14 14 THR H H 14 8.397 8.397 8.864 -0.467 19632 5280 1 17 . 1 1 15 15 ILE N N 15 125.929 125.929 128.577 -2.648 19632 5281 1 17 . 1 1 15 15 ILE HA H 15 4.882 4.882 4.204 0.678 19632 5282 1 17 . 1 1 15 15 ILE CA C 15 60.655 60.655 61.133 -0.478 19632 5283 1 17 . 1 1 15 15 ILE CB C 15 40.004 40.004 37.523 2.482 19632 5284 1 17 . 1 1 15 15 ILE H H 15 8.628 8.628 8.747 -0.119 19632 5285 1 17 . 1 1 16 16 ARG N N 16 125.332 125.332 128.808 -3.476 19632 5286 1 17 . 1 1 16 16 ARG HA H 16 4.662 4.662 4.657 0.005 19632 5287 1 17 . 1 1 16 16 ARG CA C 16 54.731 54.731 54.074 0.657 19632 5288 1 17 . 1 1 16 16 ARG CB C 16 33.731 33.731 32.434 1.297 19632 5289 1 17 . 1 1 16 16 ARG H H 16 9.057 9.057 8.920 0.137 19632 5290 1 17 . 1 1 17 17 GLN N N 17 121.044 121.044 119.477 1.567 19632 5291 1 17 . 1 1 17 17 GLN HA H 17 4.803 4.803 4.655 0.148 19632 5292 1 17 . 1 1 17 17 GLN CA C 17 55.241 55.241 55.350 -0.109 19632 5293 1 17 . 1 1 17 17 GLN CB C 17 30.461 30.461 30.667 -0.206 19632 5294 1 17 . 1 1 17 17 GLN H H 17 8.508 8.508 8.609 -0.101 19632 5295 1 17 . 1 1 18 18 GLU N N 18 125.409 125.409 125.472 -0.063 19632 5296 1 17 . 1 1 18 18 GLU HA H 18 4.529 4.529 4.484 0.045 19632 5297 1 17 . 1 1 18 18 GLU CA C 18 55.018 55.018 54.620 0.398 19632 5298 1 17 . 1 1 18 18 GLU CB C 18 31.654 31.654 28.340 3.314 19632 5299 1 17 . 1 1 18 18 GLU H H 18 8.394 8.394 8.548 -0.154 19632 5300 1 17 . 1 1 19 19 GLY N N 19 114.286 114.286 114.476 -0.190 19632 5301 1 17 . 1 1 19 19 GLY CA C 19 47.887 47.887 45.999 1.888 19632 5302 1 17 . 1 1 19 19 GLY H H 19 8.804 8.804 8.126 0.678 19632 5303 1 17 . 1 1 20 20 ASP N N 20 124.137 124.137 126.240 -2.103 19632 5304 1 17 . 1 1 20 20 ASP HA H 20 4.536 4.536 4.848 -0.312 19632 5305 1 17 . 1 1 20 20 ASP CA C 20 54.019 54.019 53.935 0.084 19632 5306 1 17 . 1 1 20 20 ASP CB C 20 41.053 41.053 41.190 -0.137 19632 5307 1 17 . 1 1 20 20 ASP H H 20 8.519 8.519 8.457 0.062 19632 5308 1 17 . 1 1 21 21 LYS N N 21 116.711 116.711 118.327 -1.616 19632 5309 1 17 . 1 1 21 21 LYS HA H 21 4.648 4.648 5.106 -0.458 19632 5310 1 17 . 1 1 21 21 LYS CA C 21 55.468 55.468 54.477 0.991 19632 5311 1 17 . 1 1 21 21 LYS CB C 21 34.941 34.941 34.305 0.636 19632 5312 1 17 . 1 1 21 21 LYS H H 21 7.696 7.696 7.212 0.484 19632 5313 1 17 . 1 1 22 22 THR N N 22 118.655 118.655 123.013 -4.358 19632 5314 1 17 . 1 1 22 22 THR HA H 22 4.541 4.541 4.557 -0.016 19632 5315 1 17 . 1 1 22 22 THR CA C 22 62.936 62.936 62.936 0.000 19632 5316 1 17 . 1 1 22 22 THR CB C 22 70.275 70.275 69.027 1.248 19632 5317 1 17 . 1 1 22 22 THR H H 22 7.994 7.994 8.563 -0.569 19632 5318 1 17 . 1 1 23 23 ILE N N 23 126.114 126.114 129.283 -3.169 19632 5319 1 17 . 1 1 23 23 ILE HA H 23 4.699 4.699 4.173 0.526 19632 5320 1 17 . 1 1 23 23 ILE CA C 23 59.119 59.119 60.542 -1.423 19632 5321 1 17 . 1 1 23 23 ILE CB C 23 40.729 40.729 38.170 2.559 19632 5322 1 17 . 1 1 23 23 ILE H H 23 8.957 8.957 8.513 0.444 19632 5323 1 17 . 1 1 24 24 GLN N N 24 123.560 123.560 128.090 -4.530 19632 5324 1 17 . 1 1 24 24 GLN HA H 24 5.121 5.121 4.745 0.376 19632 5325 1 17 . 1 1 24 24 GLN CA C 24 53.653 53.653 54.285 -0.631 19632 5326 1 17 . 1 1 24 24 GLN CB C 24 30.573 30.573 29.662 0.911 19632 5327 1 17 . 1 1 24 24 GLN H H 24 8.932 8.932 9.044 -0.112 19632 5328 1 17 . 1 1 25 25 GLU N N 25 122.651 122.651 125.078 -2.427 19632 5329 1 17 . 1 1 25 25 GLU HA H 25 4.462 4.462 4.498 -0.036 19632 5330 1 17 . 1 1 25 25 GLU CA C 25 55.548 55.548 55.435 0.113 19632 5331 1 17 . 1 1 25 25 GLU CB C 25 32.644 32.644 30.436 2.208 19632 5332 1 17 . 1 1 25 25 GLU H H 25 8.987 8.987 8.946 0.041 19632 5333 1 17 . 1 1 26 26 TYR N N 26 124.044 124.044 126.598 -2.554 19632 5334 1 17 . 1 1 26 26 TYR HA H 26 4.756 4.756 4.674 0.082 19632 5335 1 17 . 1 1 26 26 TYR CA C 26 58.317 58.317 58.593 -0.276 19632 5336 1 17 . 1 1 26 26 TYR CB C 26 38.543 38.543 37.892 0.651 19632 5337 1 17 . 1 1 26 26 TYR H H 26 8.930 8.930 9.136 -0.206 19632 5338 1 17 . 1 1 27 27 ARG N N 27 119.739 119.739 123.659 -3.920 19632 5339 1 17 . 1 1 27 27 ARG HA H 27 5.657 5.657 5.484 0.173 19632 5340 1 17 . 1 1 27 27 ARG CA C 27 53.860 53.860 54.515 -0.655 19632 5341 1 17 . 1 1 27 27 ARG CB C 27 36.310 36.310 33.508 2.803 19632 5342 1 17 . 1 1 27 27 ARG H H 27 8.496 8.496 9.140 -0.644 19632 5343 1 17 . 1 1 28 28 VAL N N 28 115.698 115.698 121.363 -5.665 19632 5344 1 17 . 1 1 28 28 VAL HA H 28 4.526 4.526 4.293 0.233 19632 5345 1 17 . 1 1 28 28 VAL CA C 28 60.002 60.002 62.964 -2.962 19632 5346 1 17 . 1 1 28 28 VAL CB C 28 34.889 34.889 33.781 1.108 19632 5347 1 17 . 1 1 28 28 VAL H H 28 8.716 8.716 8.363 0.353 19632 5348 1 17 . 1 1 29 29 ASN N N 29 128.827 128.827 116.232 12.595 19632 5349 1 17 . 1 1 29 29 ASN HA H 29 4.309 4.309 4.827 -0.518 19632 5350 1 17 . 1 1 29 29 ASN CA C 29 54.385 54.385 53.571 0.814 19632 5351 1 17 . 1 1 29 29 ASN CB C 29 38.270 38.270 38.495 -0.225 19632 5352 1 17 . 1 1 29 29 ASN H H 29 9.605 9.605 7.892 1.713 19632 5353 1 17 . 1 1 30 30 GLY N N 30 103.111 103.111 108.622 -5.511 19632 5354 1 17 . 1 1 30 30 GLY CA C 30 45.901 45.901 45.346 0.555 19632 5355 1 17 . 1 1 30 30 GLY H H 30 8.784 8.784 8.615 0.169 19632 5356 1 17 . 1 1 31 31 PHE N N 31 123.693 123.693 122.905 0.788 19632 5357 1 17 . 1 1 31 31 PHE HA H 31 4.529 4.529 4.613 -0.084 19632 5358 1 17 . 1 1 31 31 PHE CA C 31 57.924 57.924 57.254 0.670 19632 5359 1 17 . 1 1 31 31 PHE CB C 31 40.207 40.207 40.050 0.157 19632 5360 1 17 . 1 1 31 31 PHE H H 31 8.191 8.191 7.765 0.426 19632 5361 1 17 . 1 1 32 32 LEU N N 32 130.348 130.348 130.167 0.181 19632 5362 1 17 . 1 1 32 32 LEU HA H 32 4.427 4.427 4.376 0.051 19632 5363 1 17 . 1 1 32 32 LEU CA C 32 55.517 55.517 54.122 1.395 19632 5364 1 17 . 1 1 32 32 LEU CB C 32 42.468 42.468 41.437 1.031 19632 5365 1 17 . 1 1 32 32 LEU H H 32 8.171 8.171 8.189 -0.018 19632 5366 1 17 . 1 1 33 33 TYR N N 33 124.923 124.923 122.456 2.467 19632 5367 1 17 . 1 1 33 33 TYR HA H 33 4.557 4.557 4.647 -0.090 19632 5368 1 17 . 1 1 33 33 TYR CA C 33 56.404 56.404 56.480 -0.076 19632 5369 1 17 . 1 1 33 33 TYR CB C 33 39.131 39.131 39.911 -0.780 19632 5370 1 17 . 1 1 33 33 TYR H H 33 8.415 8.415 8.564 -0.149 19632 5371 1 17 . 1 1 34 34 ALA N N 34 120.211 120.211 121.101 -0.890 19632 5372 1 17 . 1 1 34 34 ALA HA H 34 5.528 5.528 5.114 0.414 19632 5373 1 17 . 1 1 34 34 ALA CA C 34 52.196 52.196 51.456 0.739 19632 5374 1 17 . 1 1 34 34 ALA CB C 34 22.633 22.633 21.987 0.646 19632 5375 1 17 . 1 1 34 34 ALA H H 34 7.399 7.399 7.094 0.305 19632 5376 1 17 . 1 1 35 35 ILE N N 35 118.197 118.197 123.376 -5.179 19632 5377 1 17 . 1 1 35 35 ILE HA H 35 5.157 5.157 5.097 0.060 19632 5378 1 17 . 1 1 35 35 ILE CA C 35 60.000 60.000 60.126 -0.126 19632 5379 1 17 . 1 1 35 35 ILE CB C 35 43.639 43.639 41.171 2.468 19632 5380 1 17 . 1 1 35 35 ILE H H 35 9.224 9.224 9.006 0.218 19632 5381 1 17 . 1 1 36 36 LYS N N 36 127.872 127.872 129.128 -1.256 19632 5382 1 17 . 1 1 36 36 LYS HA H 36 4.204 4.204 4.746 -0.542 19632 5383 1 17 . 1 1 36 36 LYS CA C 36 55.245 55.245 53.937 1.308 19632 5384 1 17 . 1 1 36 36 LYS CB C 36 36.092 36.092 34.555 1.537 19632 5385 1 17 . 1 1 36 36 LYS H H 36 9.708 9.708 8.868 0.840 19632 5386 1 17 . 1 1 37 37 VAL N N 37 128.005 128.005 127.817 0.188 19632 5387 1 17 . 1 1 37 37 VAL HA H 37 4.043 4.043 5.010 -0.967 19632 5388 1 17 . 1 1 37 37 VAL CA C 37 61.840 61.840 59.064 2.776 19632 5389 1 17 . 1 1 37 37 VAL CB C 37 32.523 32.523 35.008 -2.485 19632 5390 1 17 . 1 1 37 37 VAL H H 37 8.551 8.551 7.885 0.666 19632 5391 1 17 . 1 1 38 38 VAL N N 38 125.034 125.034 128.953 -3.919 19632 5392 1 17 . 1 1 38 38 VAL HA H 38 4.277 4.277 4.466 -0.189 19632 5393 1 17 . 1 1 38 38 VAL CA C 38 59.287 59.287 58.201 1.086 19632 5394 1 17 . 1 1 38 38 VAL CB C 38 32.568 32.568 31.350 1.218 19632 5395 1 17 . 1 1 38 38 VAL H H 38 8.668 8.668 8.924 -0.256 19632 5396 1 17 . 1 1 39 39 PRO HA H 39 4.565 4.565 5.057 -0.492 19632 5397 1 17 . 1 1 39 39 PRO CA C 39 62.202 62.202 61.649 0.553 19632 5398 1 17 . 1 1 39 39 PRO CB C 39 32.887 32.887 32.720 0.167 19632 5399 1 17 . 1 1 40 40 LYS N N 40 121.622 121.622 123.157 -1.535 19632 5400 1 17 . 1 1 40 40 LYS HA H 40 3.877 3.877 3.912 -0.035 19632 5401 1 17 . 1 1 40 40 LYS CA C 40 58.950 58.950 58.733 0.217 19632 5402 1 17 . 1 1 40 40 LYS CB C 40 32.988 32.988 32.520 0.468 19632 5403 1 17 . 1 1 40 40 LYS H H 40 8.275 8.275 8.614 -0.339 19632 5404 1 17 . 1 1 41 41 HIS N N 41 114.012 114.012 116.980 -2.968 19632 5405 1 17 . 1 1 41 41 HIS HA H 41 4.795 4.795 4.602 0.193 19632 5406 1 17 . 1 1 41 41 HIS CA C 41 54.904 54.904 55.845 -0.941 19632 5407 1 17 . 1 1 41 41 HIS CB C 41 30.835 30.835 28.590 2.245 19632 5408 1 17 . 1 1 41 41 HIS H H 41 8.040 8.040 7.918 0.122 19632 5409 1 17 . 1 1 42 42 GLY N N 42 109.068 109.068 110.579 -1.511 19632 5410 1 17 . 1 1 42 42 GLY CA C 42 44.482 44.482 45.097 -0.615 19632 5411 1 17 . 1 1 42 42 GLY H H 42 7.966 7.966 8.419 -0.453 19632 5412 1 17 . 1 1 43 43 LYS N N 43 120.287 120.287 118.841 1.446 19632 5413 1 17 . 1 1 43 43 LYS HA H 43 4.680 4.680 4.142 0.538 19632 5414 1 17 . 1 1 43 43 LYS CA C 43 54.392 54.392 56.486 -2.094 19632 5415 1 17 . 1 1 43 43 LYS CB C 43 33.511 33.511 31.616 1.895 19632 5416 1 17 . 1 1 43 43 LYS H H 43 8.209 8.209 7.937 0.272 19632 5417 1 17 . 1 1 44 44 PRO HA H 44 5.013 5.013 4.778 0.235 19632 5418 1 17 . 1 1 44 44 PRO CA C 44 62.744 62.744 63.275 -0.531 19632 5419 1 17 . 1 1 44 44 PRO CB C 44 33.747 33.747 32.303 1.444 19632 5420 1 17 . 1 1 45 45 TYR N N 45 115.140 115.140 118.587 -3.447 19632 5421 1 17 . 1 1 45 45 TYR HA H 45 4.897 4.897 4.867 0.030 19632 5422 1 17 . 1 1 45 45 TYR CA C 45 56.387 56.387 55.790 0.597 19632 5423 1 17 . 1 1 45 45 TYR CB C 45 40.574 40.574 39.936 0.638 19632 5424 1 17 . 1 1 45 45 TYR H H 45 8.176 8.176 8.214 -0.038 19632 5425 1 17 . 1 1 46 46 PHE N N 46 115.001 115.001 119.113 -4.112 19632 5426 1 17 . 1 1 46 46 PHE HA H 46 5.662 5.662 4.899 0.763 19632 5427 1 17 . 1 1 46 46 PHE CA C 46 56.395 56.395 56.849 -0.454 19632 5428 1 17 . 1 1 46 46 PHE CB C 46 43.736 43.736 40.932 2.804 19632 5429 1 17 . 1 1 46 46 PHE H H 46 8.607 8.607 8.948 -0.341 19632 5430 1 17 . 1 1 47 47 LEU N N 47 121.747 121.747 127.317 -5.570 19632 5431 1 17 . 1 1 47 47 LEU HA H 47 5.339 5.339 4.882 0.457 19632 5432 1 17 . 1 1 47 47 LEU CA C 47 54.116 54.116 53.893 0.223 19632 5433 1 17 . 1 1 47 47 LEU CB C 47 44.357 44.357 43.387 0.970 19632 5434 1 17 . 1 1 47 47 LEU H H 47 9.631 9.631 9.208 0.423 19632 5435 1 17 . 1 1 48 48 VAL N N 48 122.850 122.850 128.294 -5.444 19632 5436 1 17 . 1 1 48 48 VAL HA H 48 4.476 4.476 4.497 -0.021 19632 5437 1 17 . 1 1 48 48 VAL CA C 48 61.559 61.559 61.757 -0.198 19632 5438 1 17 . 1 1 48 48 VAL CB C 48 35.232 35.232 33.465 1.766 19632 5439 1 17 . 1 1 48 48 VAL H H 48 9.334 9.334 9.390 -0.056 19632 5440 1 17 . 1 1 49 49 ARG N N 49 129.488 129.488 127.962 1.526 19632 5441 1 17 . 1 1 49 49 ARG HA H 49 3.045 3.045 3.695 -0.650 19632 5442 1 17 . 1 1 49 49 ARG CA C 49 56.623 56.623 54.482 2.141 19632 5443 1 17 . 1 1 49 49 ARG CB C 49 31.326 31.326 29.585 1.740 19632 5444 1 17 . 1 1 49 49 ARG H H 49 8.451 8.451 8.618 -0.167 19632 5445 1 17 . 1 1 50 50 ALA N N 50 131.016 131.016 129.833 1.183 19632 5446 1 17 . 1 1 50 50 ALA HA H 50 4.418 4.418 4.319 0.099 19632 5447 1 17 . 1 1 50 50 ALA CA C 50 51.502 51.502 51.581 -0.079 19632 5448 1 17 . 1 1 50 50 ALA CB C 50 20.364 20.364 19.938 0.426 19632 5449 1 17 . 1 1 50 50 ALA H H 50 8.524 8.524 7.858 0.666 19632 5450 1 17 . 1 1 51 51 ASP N N 51 112.516 112.516 118.876 -6.360 19632 5451 1 17 . 1 1 51 51 ASP HA H 51 4.413 4.413 4.497 -0.084 19632 5452 1 17 . 1 1 51 51 ASP CA C 51 54.301 54.301 54.492 -0.191 19632 5453 1 17 . 1 1 51 51 ASP CB C 51 41.710 41.710 40.897 0.813 19632 5454 1 17 . 1 1 51 51 ASP H H 51 8.597 8.597 8.312 0.285 19632 5455 1 17 . 1 1 52 52 GLY N N 52 106.147 106.147 108.915 -2.768 19632 5456 1 17 . 1 1 52 52 GLY CA C 52 45.499 45.499 44.413 1.085 19632 5457 1 17 . 1 1 52 52 GLY H H 52 8.378 8.378 8.033 0.345 19632 5458 1 17 . 1 1 53 53 SER N N 53 115.000 115.000 116.706 -1.706 19632 5459 1 17 . 1 1 53 53 SER HA H 53 4.439 4.439 4.182 0.257 19632 5460 1 17 . 1 1 53 53 SER CA C 53 60.282 60.282 59.417 0.865 19632 5461 1 17 . 1 1 53 53 SER CB C 53 64.175 64.175 63.314 0.861 19632 5462 1 17 . 1 1 53 53 SER H H 53 8.677 8.677 8.678 -0.001 19632 5463 1 17 . 1 1 54 54 ASP N N 54 119.220 119.220 120.593 -1.373 19632 5464 1 17 . 1 1 54 54 ASP HA H 54 4.595 4.595 4.402 0.193 19632 5465 1 17 . 1 1 54 54 ASP CA C 54 55.689 55.689 55.317 0.372 19632 5466 1 17 . 1 1 54 54 ASP CB C 54 41.326 41.326 40.889 0.437 19632 5467 1 17 . 1 1 54 54 ASP H H 54 8.364 8.364 7.975 0.389 19632 5468 1 17 . 1 1 55 55 GLY N N 55 107.460 107.460 107.777 -0.317 19632 5469 1 17 . 1 1 55 55 GLY CA C 55 47.210 47.210 45.148 2.062 19632 5470 1 17 . 1 1 55 55 GLY H H 55 7.801 7.801 8.007 -0.206 19632 5471 1 17 . 1 1 56 56 ASN N N 56 116.076 116.076 115.140 0.936 19632 5472 1 17 . 1 1 56 56 ASN HA H 56 4.997 4.997 5.510 -0.513 19632 5473 1 17 . 1 1 56 56 ASN CA C 56 53.235 53.235 51.523 1.712 19632 5474 1 17 . 1 1 56 56 ASN CB C 56 41.540 41.540 41.448 0.092 19632 5475 1 17 . 1 1 56 56 ASN H H 56 7.919 7.919 7.629 0.290 19632 5476 1 17 . 1 1 57 57 PHE N N 57 118.405 118.405 117.778 0.627 19632 5477 1 17 . 1 1 57 57 PHE HA H 57 5.043 5.043 5.388 -0.345 19632 5478 1 17 . 1 1 57 57 PHE CA C 57 56.786 56.786 56.429 0.357 19632 5479 1 17 . 1 1 57 57 PHE CB C 57 44.374 44.374 43.556 0.818 19632 5480 1 17 . 1 1 57 57 PHE H H 57 9.203 9.203 9.209 -0.006 19632 5481 1 17 . 1 1 58 58 ILE N N 58 118.503 118.503 120.210 -1.707 19632 5482 1 17 . 1 1 58 58 ILE HA H 58 4.507 4.507 4.730 -0.223 19632 5483 1 17 . 1 1 58 58 ILE CA C 58 60.493 60.493 58.721 1.772 19632 5484 1 17 . 1 1 58 58 ILE CB C 58 42.447 42.447 39.978 2.469 19632 5485 1 17 . 1 1 58 58 ILE H H 58 9.222 9.222 9.379 -0.157 19632 5486 1 17 . 1 1 59 59 ARG N N 59 126.283 126.283 127.215 -0.932 19632 5487 1 17 . 1 1 59 59 ARG HA H 59 5.111 5.111 5.178 -0.067 19632 5488 1 17 . 1 1 59 59 ARG CA C 59 55.839 55.839 56.417 -0.578 19632 5489 1 17 . 1 1 59 59 ARG CB C 59 32.157 32.157 31.220 0.938 19632 5490 1 17 . 1 1 59 59 ARG H H 59 9.298 9.298 8.327 0.971 19632 5491 1 17 . 1 1 60 60 SER N N 60 119.913 119.913 121.266 -1.353 19632 5492 1 17 . 1 1 60 60 SER HA H 60 3.887 3.887 4.333 -0.446 19632 5493 1 17 . 1 1 60 60 SER CA C 60 62.373 62.373 60.862 1.511 19632 5494 1 17 . 1 1 60 60 SER CB C 60 62.777 62.777 62.992 -0.215 19632 5495 1 17 . 1 1 60 60 SER H H 60 9.698 9.698 9.071 0.627 19632 5496 1 17 . 1 1 61 61 ASP N N 61 117.504 117.504 121.558 -4.054 19632 5497 1 17 . 1 1 61 61 ASP HA H 61 4.764 4.764 4.515 0.249 19632 5498 1 17 . 1 1 61 61 ASP CA C 61 53.789 53.789 57.235 -3.446 19632 5499 1 17 . 1 1 61 61 ASP CB C 61 40.082 40.082 40.763 -0.681 19632 5500 1 17 . 1 1 61 61 ASP H H 61 8.769 8.769 8.478 0.291 19632 5501 1 17 . 1 1 62 62 GLN N N 62 118.595 118.595 117.609 0.986 19632 5502 1 17 . 1 1 62 62 GLN HA H 62 4.779 4.779 4.842 -0.063 19632 5503 1 17 . 1 1 62 62 GLN CA C 62 54.066 54.066 52.837 1.229 19632 5504 1 17 . 1 1 62 62 GLN CB C 62 30.309 30.309 29.975 0.334 19632 5505 1 17 . 1 1 62 62 GLN H H 62 7.467 7.467 7.990 -0.523 19632 5506 1 17 . 1 1 63 63 PRO HA H 63 4.662 4.662 4.642 0.020 19632 5507 1 17 . 1 1 63 63 PRO CB C 63 32.293 32.293 32.040 0.253 19632 5508 1 17 . 1 1 64 64 ASP N N 64 116.697 116.697 117.213 -0.516 19632 5509 1 17 . 1 1 64 64 ASP HA H 64 4.662 4.662 4.520 0.142 19632 5510 1 17 . 1 1 64 64 ASP CA C 64 54.449 54.449 54.952 -0.503 19632 5511 1 17 . 1 1 64 64 ASP CB C 64 41.201 41.201 40.998 0.203 19632 5512 1 17 . 1 1 64 64 ASP H H 64 8.389 8.389 8.212 0.177 19632 5513 1 17 . 1 1 65 65 LYS N N 65 119.781 119.781 120.624 -0.843 19632 5514 1 17 . 1 1 65 65 LYS HA H 65 4.547 4.547 4.514 0.033 19632 5515 1 17 . 1 1 65 65 LYS CA C 65 55.469 55.469 55.415 0.054 19632 5516 1 17 . 1 1 65 65 LYS CB C 65 34.796 34.796 32.662 2.134 19632 5517 1 17 . 1 1 65 65 LYS H H 65 7.592 7.592 7.618 -0.026 19632 5518 1 17 . 1 1 66 66 LEU N N 66 125.131 125.131 127.107 -1.976 19632 5519 1 17 . 1 1 66 66 LEU HA H 66 4.708 4.708 4.680 0.028 19632 5520 1 17 . 1 1 66 66 LEU CA C 66 54.496 54.496 54.210 0.286 19632 5521 1 17 . 1 1 66 66 LEU CB C 66 44.010 44.010 42.760 1.250 19632 5522 1 17 . 1 1 66 66 LEU H H 66 8.300 8.300 8.435 -0.135 19632 5523 1 17 . 1 1 67 67 ILE N N 67 124.524 124.524 126.096 -1.572 19632 5524 1 17 . 1 1 67 67 ILE HA H 67 4.447 4.447 4.410 0.037 19632 5525 1 17 . 1 1 67 67 ILE CA C 67 57.824 57.824 57.498 0.326 19632 5526 1 17 . 1 1 67 67 ILE CB C 67 40.744 40.744 37.835 2.909 19632 5527 1 17 . 1 1 67 67 ILE H H 67 9.427 9.427 9.147 0.280 19632 5528 1 17 . 1 1 68 68 PRO HA H 68 4.649 4.649 4.368 0.281 19632 5529 1 17 . 1 1 68 68 PRO CB C 68 32.644 32.644 31.679 0.965 19632 5530 1 17 . 1 1 69 69 GLN N N 69 119.126 119.126 118.578 0.548 19632 5531 1 17 . 1 1 69 69 GLN HA H 69 3.730 3.730 4.157 -0.427 19632 5532 1 17 . 1 1 69 69 GLN CA C 69 59.447 59.447 58.011 1.436 19632 5533 1 17 . 1 1 69 69 GLN CB C 69 28.819 28.819 28.680 0.139 19632 5534 1 17 . 1 1 69 69 GLN H H 69 8.386 8.386 8.427 -0.041 19632 5535 1 17 . 1 1 70 70 TRP N N 70 112.076 112.076 114.142 -2.066 19632 5536 1 17 . 1 1 70 70 TRP HA H 70 4.525 4.525 4.688 -0.163 19632 5537 1 17 . 1 1 70 70 TRP CA C 70 58.197 58.197 56.353 1.844 19632 5538 1 17 . 1 1 70 70 TRP CB C 70 28.016 28.016 28.760 -0.744 19632 5539 1 17 . 1 1 70 70 TRP H H 70 6.972 6.972 7.204 -0.232 19632 5540 1 17 . 1 1 71 71 GLU N N 71 119.388 119.388 119.529 -0.141 19632 5541 1 17 . 1 1 71 71 GLU HA H 71 4.249 4.249 4.080 0.169 19632 5542 1 17 . 1 1 71 71 GLU CA C 71 56.654 56.654 56.129 0.525 19632 5543 1 17 . 1 1 71 71 GLU CB C 71 30.938 30.938 30.769 0.169 19632 5544 1 17 . 1 1 71 71 GLU H H 71 7.386 7.386 7.020 0.366 19632 5545 1 17 . 1 1 72 72 ILE N N 72 115.759 115.759 118.009 -2.250 19632 5546 1 17 . 1 1 72 72 ILE HA H 72 3.324 3.324 3.600 -0.276 19632 5547 1 17 . 1 1 72 72 ILE CA C 72 64.205 64.205 64.099 0.106 19632 5548 1 17 . 1 1 72 72 ILE CB C 72 38.012 38.012 37.859 0.153 19632 5549 1 17 . 1 1 72 72 ILE H H 72 6.754 6.754 6.949 -0.195 19632 5550 1 17 . 1 1 73 73 PHE N N 73 115.942 115.942 114.080 1.862 19632 5551 1 17 . 1 1 73 73 PHE HA H 73 4.248 4.248 4.431 -0.183 19632 5552 1 17 . 1 1 73 73 PHE CA C 73 56.514 56.514 54.552 1.962 19632 5553 1 17 . 1 1 73 73 PHE CB C 73 38.479 38.479 37.262 1.217 19632 5554 1 17 . 1 1 73 73 PHE H H 73 7.388 7.388 6.929 0.459 19632 5555 1 17 . 1 1 74 74 SER N N 74 114.787 114.787 115.875 -1.088 19632 5556 1 17 . 1 1 74 74 SER HA H 74 4.358 4.358 4.197 0.161 19632 5557 1 17 . 1 1 74 74 SER CA C 74 58.265 58.265 60.027 -1.762 19632 5558 1 17 . 1 1 74 74 SER CB C 74 63.783 63.783 63.557 0.226 19632 5559 1 17 . 1 1 74 74 SER H H 74 7.203 7.203 7.587 -0.384 19632 5560 1 18 . 1 1 2 2 ALA HA H 2 4.290 4.290 4.570 -0.280 19632 5561 1 18 . 1 1 2 2 ALA CA C 2 53.589 53.589 51.685 1.904 19632 5562 1 18 . 1 1 2 2 ALA CB C 2 19.556 19.556 18.344 1.212 19632 5563 1 18 . 1 1 5 5 ASP N N 5 116.992 116.992 120.738 -3.746 19632 5564 1 18 . 1 1 5 5 ASP HA H 5 4.622 4.622 4.905 -0.283 19632 5565 1 18 . 1 1 5 5 ASP CA C 5 54.508 54.508 53.477 1.032 19632 5566 1 18 . 1 1 5 5 ASP CB C 5 41.375 41.375 43.189 -1.814 19632 5567 1 18 . 1 1 5 5 ASP H H 5 8.372 8.372 8.439 -0.067 19632 5568 1 18 . 1 1 6 6 ALA N N 6 124.275 124.275 124.734 -0.459 19632 5569 1 18 . 1 1 6 6 ALA HA H 6 4.582 4.582 4.580 0.002 19632 5570 1 18 . 1 1 6 6 ALA CA C 6 48.068 48.068 51.106 -3.038 19632 5571 1 18 . 1 1 6 6 ALA CB C 6 18.765 18.765 19.446 -0.681 19632 5572 1 18 . 1 1 6 6 ALA H H 6 7.984 7.984 8.236 -0.252 19632 5573 1 18 . 1 1 7 7 PRO HA H 7 4.486 4.486 4.682 -0.196 19632 5574 1 18 . 1 1 7 7 PRO CA C 7 63.406 63.406 62.577 0.829 19632 5575 1 18 . 1 1 7 7 PRO CB C 7 32.491 32.491 32.423 0.068 19632 5576 1 18 . 1 1 8 8 SER N N 8 115.947 115.947 113.524 2.423 19632 5577 1 18 . 1 1 8 8 SER HA H 8 4.483 4.483 4.500 -0.017 19632 5578 1 18 . 1 1 8 8 SER CA C 8 58.635 58.635 58.532 0.103 19632 5579 1 18 . 1 1 8 8 SER CB C 8 64.447 64.447 63.770 0.677 19632 5580 1 18 . 1 1 8 8 SER H H 8 8.424 8.424 8.300 0.124 19632 5581 1 18 . 1 1 9 9 GLY N N 9 109.902 109.902 109.539 0.363 19632 5582 1 18 . 1 1 9 9 GLY CA C 9 45.804 45.804 44.925 0.880 19632 5583 1 18 . 1 1 9 9 GLY H H 9 8.352 8.352 7.630 0.722 19632 5584 1 18 . 1 1 10 10 GLU N N 10 119.364 119.364 123.385 -4.021 19632 5585 1 18 . 1 1 10 10 GLU HA H 10 4.808 4.808 4.692 0.116 19632 5586 1 18 . 1 1 10 10 GLU CA C 10 53.481 53.481 52.296 1.185 19632 5587 1 18 . 1 1 10 10 GLU CB C 10 30.956 30.956 30.241 0.715 19632 5588 1 18 . 1 1 10 10 GLU H H 10 8.071 8.071 8.221 -0.150 19632 5589 1 18 . 1 1 11 11 PRO HA H 11 5.012 5.012 4.834 0.178 19632 5590 1 18 . 1 1 11 11 PRO CA C 11 63.350 63.350 62.687 0.663 19632 5591 1 18 . 1 1 11 11 PRO CB C 11 34.176 34.176 30.860 3.316 19632 5592 1 18 . 1 1 12 12 ASP N N 12 122.007 122.007 122.419 -0.412 19632 5593 1 18 . 1 1 12 12 ASP HA H 12 5.030 5.030 4.663 0.367 19632 5594 1 18 . 1 1 12 12 ASP CA C 12 53.249 53.249 52.655 0.594 19632 5595 1 18 . 1 1 12 12 ASP CB C 12 45.006 45.006 43.893 1.113 19632 5596 1 18 . 1 1 12 12 ASP H H 12 9.396 9.396 8.358 1.038 19632 5597 1 18 . 1 1 13 13 VAL N N 13 120.517 120.517 119.682 0.835 19632 5598 1 18 . 1 1 13 13 VAL HA H 13 5.090 5.090 4.755 0.335 19632 5599 1 18 . 1 1 13 13 VAL CA C 13 59.653 59.653 59.633 0.020 19632 5600 1 18 . 1 1 13 13 VAL CB C 13 35.347 35.347 34.727 0.620 19632 5601 1 18 . 1 1 13 13 VAL H H 13 8.402 8.402 8.251 0.151 19632 5602 1 18 . 1 1 14 14 THR N N 14 122.388 122.388 125.274 -2.886 19632 5603 1 18 . 1 1 14 14 THR HA H 14 4.465 4.465 4.426 0.039 19632 5604 1 18 . 1 1 14 14 THR CA C 14 61.591 61.591 62.217 -0.626 19632 5605 1 18 . 1 1 14 14 THR CB C 14 71.537 71.537 69.595 1.942 19632 5606 1 18 . 1 1 14 14 THR H H 14 8.397 8.397 8.902 -0.505 19632 5607 1 18 . 1 1 15 15 ILE N N 15 125.929 125.929 128.105 -2.176 19632 5608 1 18 . 1 1 15 15 ILE HA H 15 4.882 4.882 4.039 0.843 19632 5609 1 18 . 1 1 15 15 ILE CA C 15 60.655 60.655 61.327 -0.672 19632 5610 1 18 . 1 1 15 15 ILE CB C 15 40.004 40.004 37.606 2.398 19632 5611 1 18 . 1 1 15 15 ILE H H 15 8.628 8.628 8.670 -0.042 19632 5612 1 18 . 1 1 16 16 ARG N N 16 125.332 125.332 128.502 -3.170 19632 5613 1 18 . 1 1 16 16 ARG HA H 16 4.662 4.662 4.714 -0.052 19632 5614 1 18 . 1 1 16 16 ARG CA C 16 54.731 54.731 53.607 1.124 19632 5615 1 18 . 1 1 16 16 ARG CB C 16 33.731 33.731 32.644 1.087 19632 5616 1 18 . 1 1 16 16 ARG H H 16 9.057 9.057 8.889 0.168 19632 5617 1 18 . 1 1 17 17 GLN N N 17 121.044 121.044 119.080 1.964 19632 5618 1 18 . 1 1 17 17 GLN HA H 17 4.803 4.803 4.746 0.057 19632 5619 1 18 . 1 1 17 17 GLN CA C 17 55.241 55.241 55.357 -0.116 19632 5620 1 18 . 1 1 17 17 GLN CB C 17 30.461 30.461 32.151 -1.690 19632 5621 1 18 . 1 1 17 17 GLN H H 17 8.508 8.508 8.471 0.037 19632 5622 1 18 . 1 1 18 18 GLU N N 18 125.409 125.409 125.415 -0.006 19632 5623 1 18 . 1 1 18 18 GLU HA H 18 4.529 4.529 4.661 -0.132 19632 5624 1 18 . 1 1 18 18 GLU CA C 18 55.018 55.018 55.133 -0.115 19632 5625 1 18 . 1 1 18 18 GLU CB C 18 31.654 31.654 30.608 1.046 19632 5626 1 18 . 1 1 18 18 GLU H H 18 8.394 8.394 8.820 -0.426 19632 5627 1 18 . 1 1 19 19 GLY N N 19 114.286 114.286 116.000 -1.714 19632 5628 1 18 . 1 1 19 19 GLY CA C 19 47.887 47.887 47.017 0.869 19632 5629 1 18 . 1 1 19 19 GLY H H 19 8.804 8.804 8.846 -0.042 19632 5630 1 18 . 1 1 20 20 ASP N N 20 124.137 124.137 125.640 -1.503 19632 5631 1 18 . 1 1 20 20 ASP HA H 20 4.536 4.536 4.797 -0.261 19632 5632 1 18 . 1 1 20 20 ASP CA C 20 54.019 54.019 53.966 0.053 19632 5633 1 18 . 1 1 20 20 ASP CB C 20 41.053 41.053 41.446 -0.393 19632 5634 1 18 . 1 1 20 20 ASP H H 20 8.519 8.519 8.384 0.135 19632 5635 1 18 . 1 1 21 21 LYS N N 21 116.711 116.711 119.782 -3.071 19632 5636 1 18 . 1 1 21 21 LYS HA H 21 4.648 4.648 5.098 -0.450 19632 5637 1 18 . 1 1 21 21 LYS CA C 21 55.468 55.468 54.147 1.321 19632 5638 1 18 . 1 1 21 21 LYS CB C 21 34.941 34.941 33.045 1.896 19632 5639 1 18 . 1 1 21 21 LYS H H 21 7.696 7.696 7.752 -0.056 19632 5640 1 18 . 1 1 22 22 THR N N 22 118.655 118.655 123.198 -4.543 19632 5641 1 18 . 1 1 22 22 THR HA H 22 4.541 4.541 4.562 -0.021 19632 5642 1 18 . 1 1 22 22 THR CA C 22 62.936 62.936 63.089 -0.153 19632 5643 1 18 . 1 1 22 22 THR CB C 22 70.275 70.275 68.506 1.769 19632 5644 1 18 . 1 1 22 22 THR H H 22 7.994 7.994 8.579 -0.585 19632 5645 1 18 . 1 1 23 23 ILE N N 23 126.114 126.114 129.462 -3.348 19632 5646 1 18 . 1 1 23 23 ILE HA H 23 4.699 4.699 4.064 0.635 19632 5647 1 18 . 1 1 23 23 ILE CA C 23 59.119 59.119 60.819 -1.700 19632 5648 1 18 . 1 1 23 23 ILE CB C 23 40.729 40.729 37.288 3.441 19632 5649 1 18 . 1 1 23 23 ILE H H 23 8.957 8.957 8.321 0.636 19632 5650 1 18 . 1 1 24 24 GLN N N 24 123.560 123.560 128.034 -4.474 19632 5651 1 18 . 1 1 24 24 GLN HA H 24 5.121 5.121 4.925 0.196 19632 5652 1 18 . 1 1 24 24 GLN CA C 24 53.653 53.653 54.254 -0.601 19632 5653 1 18 . 1 1 24 24 GLN CB C 24 30.573 30.573 30.068 0.505 19632 5654 1 18 . 1 1 24 24 GLN H H 24 8.932 8.932 9.132 -0.200 19632 5655 1 18 . 1 1 25 25 GLU N N 25 122.651 122.651 125.131 -2.480 19632 5656 1 18 . 1 1 25 25 GLU HA H 25 4.462 4.462 4.583 -0.121 19632 5657 1 18 . 1 1 25 25 GLU CA C 25 55.548 55.548 55.472 0.076 19632 5658 1 18 . 1 1 25 25 GLU CB C 25 32.644 32.644 30.586 2.058 19632 5659 1 18 . 1 1 25 25 GLU H H 25 8.987 8.987 9.106 -0.119 19632 5660 1 18 . 1 1 26 26 TYR N N 26 124.044 124.044 126.618 -2.574 19632 5661 1 18 . 1 1 26 26 TYR HA H 26 4.756 4.756 4.719 0.037 19632 5662 1 18 . 1 1 26 26 TYR CA C 26 58.317 58.317 58.723 -0.406 19632 5663 1 18 . 1 1 26 26 TYR CB C 26 38.543 38.543 38.304 0.239 19632 5664 1 18 . 1 1 26 26 TYR H H 26 8.930 8.930 9.161 -0.231 19632 5665 1 18 . 1 1 27 27 ARG N N 27 119.739 119.739 124.270 -4.531 19632 5666 1 18 . 1 1 27 27 ARG HA H 27 5.657 5.657 5.384 0.273 19632 5667 1 18 . 1 1 27 27 ARG CA C 27 53.860 53.860 54.733 -0.873 19632 5668 1 18 . 1 1 27 27 ARG CB C 27 36.310 36.310 33.614 2.696 19632 5669 1 18 . 1 1 27 27 ARG H H 27 8.496 8.496 9.165 -0.669 19632 5670 1 18 . 1 1 28 28 VAL N N 28 115.698 115.698 122.101 -6.403 19632 5671 1 18 . 1 1 28 28 VAL HA H 28 4.526 4.526 4.297 0.229 19632 5672 1 18 . 1 1 28 28 VAL CA C 28 60.002 60.002 62.826 -2.824 19632 5673 1 18 . 1 1 28 28 VAL CB C 28 34.889 34.889 33.086 1.803 19632 5674 1 18 . 1 1 28 28 VAL H H 28 8.716 8.716 8.420 0.296 19632 5675 1 18 . 1 1 29 29 ASN N N 29 128.827 128.827 116.356 12.471 19632 5676 1 18 . 1 1 29 29 ASN HA H 29 4.309 4.309 4.789 -0.480 19632 5677 1 18 . 1 1 29 29 ASN CA C 29 54.385 54.385 53.967 0.418 19632 5678 1 18 . 1 1 29 29 ASN CB C 29 38.270 38.270 38.579 -0.309 19632 5679 1 18 . 1 1 29 29 ASN H H 29 9.605 9.605 7.855 1.750 19632 5680 1 18 . 1 1 30 30 GLY N N 30 103.111 103.111 108.846 -5.735 19632 5681 1 18 . 1 1 30 30 GLY CA C 30 45.901 45.901 45.563 0.338 19632 5682 1 18 . 1 1 30 30 GLY H H 30 8.784 8.784 8.689 0.095 19632 5683 1 18 . 1 1 31 31 PHE N N 31 123.693 123.693 122.317 1.376 19632 5684 1 18 . 1 1 31 31 PHE HA H 31 4.529 4.529 4.760 -0.231 19632 5685 1 18 . 1 1 31 31 PHE CA C 31 57.924 57.924 56.709 1.215 19632 5686 1 18 . 1 1 31 31 PHE CB C 31 40.207 40.207 40.589 -0.382 19632 5687 1 18 . 1 1 31 31 PHE H H 31 8.191 8.191 7.715 0.476 19632 5688 1 18 . 1 1 32 32 LEU N N 32 130.348 130.348 130.286 0.062 19632 5689 1 18 . 1 1 32 32 LEU HA H 32 4.427 4.427 4.361 0.066 19632 5690 1 18 . 1 1 32 32 LEU CA C 32 55.517 55.517 54.234 1.283 19632 5691 1 18 . 1 1 32 32 LEU CB C 32 42.468 42.468 41.195 1.273 19632 5692 1 18 . 1 1 32 32 LEU H H 32 8.171 8.171 8.351 -0.180 19632 5693 1 18 . 1 1 33 33 TYR N N 33 124.923 124.923 120.719 4.204 19632 5694 1 18 . 1 1 33 33 TYR HA H 33 4.557 4.557 4.606 -0.049 19632 5695 1 18 . 1 1 33 33 TYR CA C 33 56.404 56.404 56.476 -0.072 19632 5696 1 18 . 1 1 33 33 TYR CB C 33 39.131 39.131 40.136 -1.005 19632 5697 1 18 . 1 1 33 33 TYR H H 33 8.415 8.415 8.468 -0.053 19632 5698 1 18 . 1 1 34 34 ALA N N 34 120.211 120.211 120.825 -0.614 19632 5699 1 18 . 1 1 34 34 ALA HA H 34 5.528 5.528 5.388 0.140 19632 5700 1 18 . 1 1 34 34 ALA CA C 34 52.196 52.196 51.493 0.702 19632 5701 1 18 . 1 1 34 34 ALA CB C 34 22.633 22.633 22.084 0.549 19632 5702 1 18 . 1 1 34 34 ALA H H 34 7.399 7.399 7.197 0.202 19632 5703 1 18 . 1 1 35 35 ILE N N 35 118.197 118.197 121.093 -2.896 19632 5704 1 18 . 1 1 35 35 ILE HA H 35 5.157 5.157 4.979 0.178 19632 5705 1 18 . 1 1 35 35 ILE CA C 35 60.000 60.000 60.180 -0.180 19632 5706 1 18 . 1 1 35 35 ILE CB C 35 43.639 43.639 42.080 1.559 19632 5707 1 18 . 1 1 35 35 ILE H H 35 9.224 9.224 9.010 0.214 19632 5708 1 18 . 1 1 36 36 LYS N N 36 127.872 127.872 128.447 -0.575 19632 5709 1 18 . 1 1 36 36 LYS HA H 36 4.204 4.204 4.629 -0.425 19632 5710 1 18 . 1 1 36 36 LYS CA C 36 55.245 55.245 54.401 0.844 19632 5711 1 18 . 1 1 36 36 LYS CB C 36 36.092 36.092 34.346 1.746 19632 5712 1 18 . 1 1 36 36 LYS H H 36 9.708 9.708 9.118 0.590 19632 5713 1 18 . 1 1 37 37 VAL N N 37 128.005 128.005 127.859 0.146 19632 5714 1 18 . 1 1 37 37 VAL HA H 37 4.043 4.043 3.895 0.148 19632 5715 1 18 . 1 1 37 37 VAL CA C 37 61.840 61.840 61.785 0.055 19632 5716 1 18 . 1 1 37 37 VAL CB C 37 32.523 32.523 31.918 0.605 19632 5717 1 18 . 1 1 37 37 VAL H H 37 8.551 8.551 8.005 0.546 19632 5718 1 18 . 1 1 38 38 VAL N N 38 125.034 125.034 126.745 -1.711 19632 5719 1 18 . 1 1 38 38 VAL HA H 38 4.277 4.277 4.306 -0.029 19632 5720 1 18 . 1 1 38 38 VAL CA C 38 59.287 59.287 58.251 1.036 19632 5721 1 18 . 1 1 38 38 VAL CB C 38 32.568 32.568 31.180 1.388 19632 5722 1 18 . 1 1 38 38 VAL H H 38 8.668 8.668 8.632 0.036 19632 5723 1 18 . 1 1 39 39 PRO HA H 39 4.565 4.565 4.928 -0.363 19632 5724 1 18 . 1 1 39 39 PRO CA C 39 62.202 62.202 62.019 0.183 19632 5725 1 18 . 1 1 39 39 PRO CB C 39 32.887 32.887 32.265 0.622 19632 5726 1 18 . 1 1 40 40 LYS N N 40 121.622 121.622 123.206 -1.584 19632 5727 1 18 . 1 1 40 40 LYS HA H 40 3.877 3.877 3.927 -0.050 19632 5728 1 18 . 1 1 40 40 LYS CA C 40 58.950 58.950 58.446 0.504 19632 5729 1 18 . 1 1 40 40 LYS CB C 40 32.988 32.988 32.534 0.454 19632 5730 1 18 . 1 1 40 40 LYS H H 40 8.275 8.275 8.583 -0.308 19632 5731 1 18 . 1 1 41 41 HIS N N 41 114.012 114.012 117.348 -3.336 19632 5732 1 18 . 1 1 41 41 HIS HA H 41 4.795 4.795 4.653 0.142 19632 5733 1 18 . 1 1 41 41 HIS CA C 41 54.904 54.904 55.347 -0.443 19632 5734 1 18 . 1 1 41 41 HIS CB C 41 30.835 30.835 29.462 1.373 19632 5735 1 18 . 1 1 41 41 HIS H H 41 8.040 8.040 8.005 0.035 19632 5736 1 18 . 1 1 42 42 GLY N N 42 109.068 109.068 110.750 -1.682 19632 5737 1 18 . 1 1 42 42 GLY CA C 42 44.482 44.482 44.813 -0.331 19632 5738 1 18 . 1 1 42 42 GLY H H 42 7.966 7.966 8.449 -0.483 19632 5739 1 18 . 1 1 43 43 LYS N N 43 120.287 120.287 118.926 1.361 19632 5740 1 18 . 1 1 43 43 LYS HA H 43 4.680 4.680 4.174 0.506 19632 5741 1 18 . 1 1 43 43 LYS CA C 43 54.392 54.392 56.293 -1.901 19632 5742 1 18 . 1 1 43 43 LYS CB C 43 33.511 33.511 30.900 2.611 19632 5743 1 18 . 1 1 43 43 LYS H H 43 8.209 8.209 8.012 0.197 19632 5744 1 18 . 1 1 44 44 PRO HA H 44 5.013 5.013 4.976 0.037 19632 5745 1 18 . 1 1 44 44 PRO CA C 44 62.744 62.744 63.411 -0.667 19632 5746 1 18 . 1 1 44 44 PRO CB C 44 33.747 33.747 32.034 1.713 19632 5747 1 18 . 1 1 45 45 TYR N N 45 115.140 115.140 120.350 -5.210 19632 5748 1 18 . 1 1 45 45 TYR HA H 45 4.897 4.897 4.731 0.166 19632 5749 1 18 . 1 1 45 45 TYR CA C 45 56.387 56.387 55.419 0.968 19632 5750 1 18 . 1 1 45 45 TYR CB C 45 40.574 40.574 40.751 -0.177 19632 5751 1 18 . 1 1 45 45 TYR H H 45 8.176 8.176 8.152 0.024 19632 5752 1 18 . 1 1 46 46 PHE N N 46 115.001 115.001 119.351 -4.350 19632 5753 1 18 . 1 1 46 46 PHE HA H 46 5.662 5.662 5.102 0.560 19632 5754 1 18 . 1 1 46 46 PHE CA C 46 56.395 56.395 56.588 -0.193 19632 5755 1 18 . 1 1 46 46 PHE CB C 46 43.736 43.736 41.283 2.453 19632 5756 1 18 . 1 1 46 46 PHE H H 46 8.607 8.607 8.769 -0.162 19632 5757 1 18 . 1 1 47 47 LEU N N 47 121.747 121.747 123.821 -2.074 19632 5758 1 18 . 1 1 47 47 LEU HA H 47 5.339 5.339 5.004 0.335 19632 5759 1 18 . 1 1 47 47 LEU CA C 47 54.116 54.116 54.086 0.030 19632 5760 1 18 . 1 1 47 47 LEU CB C 47 44.357 44.357 43.588 0.769 19632 5761 1 18 . 1 1 47 47 LEU H H 47 9.631 9.631 9.183 0.448 19632 5762 1 18 . 1 1 48 48 VAL N N 48 122.850 122.850 124.837 -1.987 19632 5763 1 18 . 1 1 48 48 VAL HA H 48 4.476 4.476 4.563 -0.087 19632 5764 1 18 . 1 1 48 48 VAL CA C 48 61.559 61.559 60.766 0.793 19632 5765 1 18 . 1 1 48 48 VAL CB C 48 35.232 35.232 32.880 2.352 19632 5766 1 18 . 1 1 48 48 VAL H H 48 9.334 9.334 8.966 0.368 19632 5767 1 18 . 1 1 49 49 ARG N N 49 129.488 129.488 128.726 0.762 19632 5768 1 18 . 1 1 49 49 ARG HA H 49 3.045 3.045 3.840 -0.795 19632 5769 1 18 . 1 1 49 49 ARG CA C 49 56.623 56.623 55.219 1.404 19632 5770 1 18 . 1 1 49 49 ARG CB C 49 31.326 31.326 29.871 1.455 19632 5771 1 18 . 1 1 49 49 ARG H H 49 8.451 8.451 8.640 -0.189 19632 5772 1 18 . 1 1 50 50 ALA N N 50 131.016 131.016 130.384 0.632 19632 5773 1 18 . 1 1 50 50 ALA HA H 50 4.418 4.418 4.356 0.062 19632 5774 1 18 . 1 1 50 50 ALA CA C 50 51.502 51.502 51.281 0.221 19632 5775 1 18 . 1 1 50 50 ALA CB C 50 20.364 20.364 20.000 0.364 19632 5776 1 18 . 1 1 50 50 ALA H H 50 8.524 8.524 8.376 0.148 19632 5777 1 18 . 1 1 51 51 ASP N N 51 112.516 112.516 118.900 -6.384 19632 5778 1 18 . 1 1 51 51 ASP HA H 51 4.413 4.413 4.386 0.027 19632 5779 1 18 . 1 1 51 51 ASP CA C 51 54.301 54.301 55.629 -1.328 19632 5780 1 18 . 1 1 51 51 ASP CB C 51 41.710 41.710 40.912 0.798 19632 5781 1 18 . 1 1 51 51 ASP H H 51 8.597 8.597 8.360 0.237 19632 5782 1 18 . 1 1 52 52 GLY N N 52 106.147 106.147 112.530 -6.383 19632 5783 1 18 . 1 1 52 52 GLY CA C 52 45.499 45.499 44.977 0.522 19632 5784 1 18 . 1 1 52 52 GLY H H 52 8.378 8.378 8.490 -0.112 19632 5785 1 18 . 1 1 53 53 SER N N 53 115.000 115.000 115.713 -0.713 19632 5786 1 18 . 1 1 53 53 SER HA H 53 4.439 4.439 4.108 0.331 19632 5787 1 18 . 1 1 53 53 SER CA C 53 60.282 60.282 59.191 1.091 19632 5788 1 18 . 1 1 53 53 SER CB C 53 64.175 64.175 62.324 1.851 19632 5789 1 18 . 1 1 53 53 SER H H 53 8.677 8.677 8.114 0.563 19632 5790 1 18 . 1 1 54 54 ASP N N 54 119.220 119.220 120.343 -1.123 19632 5791 1 18 . 1 1 54 54 ASP HA H 54 4.595 4.595 4.614 -0.019 19632 5792 1 18 . 1 1 54 54 ASP CA C 54 55.689 55.689 55.090 0.599 19632 5793 1 18 . 1 1 54 54 ASP CB C 54 41.326 41.326 41.211 0.115 19632 5794 1 18 . 1 1 54 54 ASP H H 54 8.364 8.364 8.359 0.005 19632 5795 1 18 . 1 1 55 55 GLY N N 55 107.460 107.460 105.454 2.006 19632 5796 1 18 . 1 1 55 55 GLY CA C 55 47.210 47.210 44.919 2.291 19632 5797 1 18 . 1 1 55 55 GLY H H 55 7.801 7.801 8.387 -0.586 19632 5798 1 18 . 1 1 56 56 ASN N N 56 116.076 116.076 119.147 -3.071 19632 5799 1 18 . 1 1 56 56 ASN HA H 56 4.997 4.997 4.752 0.245 19632 5800 1 18 . 1 1 56 56 ASN CA C 56 53.235 53.235 52.679 0.556 19632 5801 1 18 . 1 1 56 56 ASN CB C 56 41.540 41.540 39.480 2.060 19632 5802 1 18 . 1 1 56 56 ASN H H 56 7.919 7.919 7.689 0.230 19632 5803 1 18 . 1 1 57 57 PHE N N 57 118.405 118.405 123.624 -5.219 19632 5804 1 18 . 1 1 57 57 PHE HA H 57 5.043 5.043 5.166 -0.123 19632 5805 1 18 . 1 1 57 57 PHE CA C 57 56.786 56.786 56.830 -0.044 19632 5806 1 18 . 1 1 57 57 PHE CB C 57 44.374 44.374 43.218 1.157 19632 5807 1 18 . 1 1 57 57 PHE H H 57 9.203 9.203 7.961 1.242 19632 5808 1 18 . 1 1 58 58 ILE N N 58 118.503 118.503 122.731 -4.228 19632 5809 1 18 . 1 1 58 58 ILE HA H 58 4.507 4.507 4.507 -0.000 19632 5810 1 18 . 1 1 58 58 ILE CA C 58 60.493 60.493 58.621 1.872 19632 5811 1 18 . 1 1 58 58 ILE CB C 58 42.447 42.447 37.736 4.711 19632 5812 1 18 . 1 1 58 58 ILE H H 58 9.222 9.222 9.360 -0.138 19632 5813 1 18 . 1 1 59 59 ARG N N 59 126.283 126.283 129.151 -2.868 19632 5814 1 18 . 1 1 59 59 ARG HA H 59 5.111 5.111 4.607 0.504 19632 5815 1 18 . 1 1 59 59 ARG CA C 59 55.839 55.839 56.924 -1.085 19632 5816 1 18 . 1 1 59 59 ARG CB C 59 32.157 32.157 30.435 1.722 19632 5817 1 18 . 1 1 59 59 ARG H H 59 9.298 9.298 8.881 0.417 19632 5818 1 18 . 1 1 60 60 SER N N 60 119.913 119.913 124.814 -4.901 19632 5819 1 18 . 1 1 60 60 SER HA H 60 3.887 3.887 4.307 -0.420 19632 5820 1 18 . 1 1 60 60 SER CA C 60 62.373 62.373 60.894 1.479 19632 5821 1 18 . 1 1 60 60 SER CB C 60 62.777 62.777 63.320 -0.543 19632 5822 1 18 . 1 1 60 60 SER H H 60 9.698 9.698 9.205 0.493 19632 5823 1 18 . 1 1 61 61 ASP N N 61 117.504 117.504 120.161 -2.657 19632 5824 1 18 . 1 1 61 61 ASP HA H 61 4.764 4.764 4.637 0.127 19632 5825 1 18 . 1 1 61 61 ASP CA C 61 53.789 53.789 55.417 -1.628 19632 5826 1 18 . 1 1 61 61 ASP CB C 61 40.082 40.082 41.533 -1.452 19632 5827 1 18 . 1 1 61 61 ASP H H 61 8.769 8.769 8.580 0.189 19632 5828 1 18 . 1 1 62 62 GLN N N 62 118.595 118.595 116.977 1.618 19632 5829 1 18 . 1 1 62 62 GLN HA H 62 4.779 4.779 4.763 0.016 19632 5830 1 18 . 1 1 62 62 GLN CA C 62 54.066 54.066 53.409 0.657 19632 5831 1 18 . 1 1 62 62 GLN CB C 62 30.309 30.309 29.795 0.514 19632 5832 1 18 . 1 1 62 62 GLN H H 62 7.467 7.467 7.822 -0.355 19632 5833 1 18 . 1 1 63 63 PRO HA H 63 4.662 4.662 4.480 0.182 19632 5834 1 18 . 1 1 63 63 PRO CB C 63 32.293 32.293 31.943 0.350 19632 5835 1 18 . 1 1 64 64 ASP N N 64 116.697 116.697 116.504 0.193 19632 5836 1 18 . 1 1 64 64 ASP HA H 64 4.662 4.662 4.683 -0.021 19632 5837 1 18 . 1 1 64 64 ASP CA C 64 54.449 54.449 53.658 0.791 19632 5838 1 18 . 1 1 64 64 ASP CB C 64 41.201 41.201 40.992 0.209 19632 5839 1 18 . 1 1 64 64 ASP H H 64 8.389 8.389 8.434 -0.045 19632 5840 1 18 . 1 1 65 65 LYS N N 65 119.781 119.781 120.103 -0.322 19632 5841 1 18 . 1 1 65 65 LYS HA H 65 4.547 4.547 4.584 -0.037 19632 5842 1 18 . 1 1 65 65 LYS CA C 65 55.469 55.469 55.474 -0.005 19632 5843 1 18 . 1 1 65 65 LYS CB C 65 34.796 34.796 34.525 0.271 19632 5844 1 18 . 1 1 65 65 LYS H H 65 7.592 7.592 7.519 0.073 19632 5845 1 18 . 1 1 66 66 LEU N N 66 125.131 125.131 124.692 0.439 19632 5846 1 18 . 1 1 66 66 LEU HA H 66 4.708 4.708 4.416 0.292 19632 5847 1 18 . 1 1 66 66 LEU CA C 66 54.496 54.496 54.645 -0.149 19632 5848 1 18 . 1 1 66 66 LEU CB C 66 44.010 44.010 42.598 1.412 19632 5849 1 18 . 1 1 66 66 LEU H H 66 8.300 8.300 8.459 -0.159 19632 5850 1 18 . 1 1 67 67 ILE N N 67 124.524 124.524 125.058 -0.534 19632 5851 1 18 . 1 1 67 67 ILE HA H 67 4.447 4.447 4.422 0.025 19632 5852 1 18 . 1 1 67 67 ILE CA C 67 57.824 57.824 57.525 0.299 19632 5853 1 18 . 1 1 67 67 ILE CB C 67 40.744 40.744 38.255 2.489 19632 5854 1 18 . 1 1 67 67 ILE H H 67 9.427 9.427 8.781 0.646 19632 5855 1 18 . 1 1 68 68 PRO HA H 68 4.649 4.649 4.341 0.308 19632 5856 1 18 . 1 1 68 68 PRO CB C 68 32.644 32.644 31.971 0.673 19632 5857 1 18 . 1 1 69 69 GLN N N 69 119.126 119.126 118.826 0.300 19632 5858 1 18 . 1 1 69 69 GLN HA H 69 3.730 3.730 4.120 -0.390 19632 5859 1 18 . 1 1 69 69 GLN CA C 69 59.447 59.447 59.292 0.155 19632 5860 1 18 . 1 1 69 69 GLN CB C 69 28.819 28.819 28.860 -0.041 19632 5861 1 18 . 1 1 69 69 GLN H H 69 8.386 8.386 8.472 -0.086 19632 5862 1 18 . 1 1 70 70 TRP N N 70 112.076 112.076 116.421 -4.345 19632 5863 1 18 . 1 1 70 70 TRP HA H 70 4.525 4.525 4.653 -0.128 19632 5864 1 18 . 1 1 70 70 TRP CA C 70 58.197 58.197 58.426 -0.229 19632 5865 1 18 . 1 1 70 70 TRP CB C 70 28.016 28.016 28.329 -0.313 19632 5866 1 18 . 1 1 70 70 TRP H H 70 6.972 6.972 7.922 -0.950 19632 5867 1 18 . 1 1 71 71 GLU N N 71 119.388 119.388 118.766 0.622 19632 5868 1 18 . 1 1 71 71 GLU HA H 71 4.249 4.249 4.286 -0.037 19632 5869 1 18 . 1 1 71 71 GLU CA C 71 56.654 56.654 58.117 -1.463 19632 5870 1 18 . 1 1 71 71 GLU CB C 71 30.938 30.938 29.958 0.980 19632 5871 1 18 . 1 1 71 71 GLU H H 71 7.386 7.386 7.074 0.312 19632 5872 1 18 . 1 1 72 72 ILE N N 72 115.759 115.759 115.816 -0.057 19632 5873 1 18 . 1 1 72 72 ILE HA H 72 3.324 3.324 3.777 -0.453 19632 5874 1 18 . 1 1 72 72 ILE CA C 72 64.205 64.205 63.946 0.259 19632 5875 1 18 . 1 1 72 72 ILE CB C 72 38.012 38.012 37.529 0.483 19632 5876 1 18 . 1 1 72 72 ILE H H 72 6.754 6.754 7.285 -0.531 19632 5877 1 18 . 1 1 73 73 PHE N N 73 115.942 115.942 117.844 -1.902 19632 5878 1 18 . 1 1 73 73 PHE HA H 73 4.248 4.248 4.713 -0.465 19632 5879 1 18 . 1 1 73 73 PHE CA C 73 56.514 56.514 56.159 0.355 19632 5880 1 18 . 1 1 73 73 PHE CB C 73 38.479 38.479 37.651 0.828 19632 5881 1 18 . 1 1 73 73 PHE H H 73 7.388 7.388 7.974 -0.586 19632 5882 1 18 . 1 1 74 74 SER N N 74 114.787 114.787 118.372 -3.585 19632 5883 1 18 . 1 1 74 74 SER HA H 74 4.358 4.358 4.664 -0.306 19632 5884 1 18 . 1 1 74 74 SER CA C 74 58.265 58.265 57.276 0.988 19632 5885 1 18 . 1 1 74 74 SER CB C 74 63.783 63.783 62.105 1.677 19632 5886 1 18 . 1 1 74 74 SER H H 74 7.203 7.203 7.844 -0.641 19632 5887 1 19 . 1 1 2 2 ALA HA H 2 4.290 4.290 4.665 -0.375 19632 5888 1 19 . 1 1 2 2 ALA CA C 2 53.589 53.589 52.363 1.226 19632 5889 1 19 . 1 1 2 2 ALA CB C 2 19.556 19.556 20.515 -0.959 19632 5890 1 19 . 1 1 5 5 ASP N N 5 116.992 116.992 124.685 -7.693 19632 5891 1 19 . 1 1 5 5 ASP HA H 5 4.622 4.622 4.744 -0.122 19632 5892 1 19 . 1 1 5 5 ASP CA C 5 54.508 54.508 53.359 1.149 19632 5893 1 19 . 1 1 5 5 ASP CB C 5 41.375 41.375 42.226 -0.851 19632 5894 1 19 . 1 1 5 5 ASP H H 5 8.372 8.372 8.135 0.237 19632 5895 1 19 . 1 1 6 6 ALA N N 6 124.275 124.275 123.277 0.998 19632 5896 1 19 . 1 1 6 6 ALA HA H 6 4.582 4.582 4.663 -0.081 19632 5897 1 19 . 1 1 6 6 ALA CA C 6 48.068 48.068 50.249 -2.181 19632 5898 1 19 . 1 1 6 6 ALA CB C 6 18.765 18.765 19.024 -0.259 19632 5899 1 19 . 1 1 6 6 ALA H H 6 7.984 7.984 8.214 -0.230 19632 5900 1 19 . 1 1 7 7 PRO HA H 7 4.486 4.486 4.644 -0.158 19632 5901 1 19 . 1 1 7 7 PRO CA C 7 63.406 63.406 62.317 1.089 19632 5902 1 19 . 1 1 7 7 PRO CB C 7 32.491 32.491 32.466 0.025 19632 5903 1 19 . 1 1 8 8 SER N N 8 115.947 115.947 120.016 -4.069 19632 5904 1 19 . 1 1 8 8 SER HA H 8 4.483 4.483 4.329 0.154 19632 5905 1 19 . 1 1 8 8 SER CA C 8 58.635 58.635 59.238 -0.603 19632 5906 1 19 . 1 1 8 8 SER CB C 8 64.447 64.447 63.289 1.158 19632 5907 1 19 . 1 1 8 8 SER H H 8 8.424 8.424 8.538 -0.114 19632 5908 1 19 . 1 1 9 9 GLY N N 9 109.902 109.902 113.532 -3.630 19632 5909 1 19 . 1 1 9 9 GLY CA C 9 45.804 45.804 44.874 0.930 19632 5910 1 19 . 1 1 9 9 GLY H H 9 8.352 8.352 8.542 -0.190 19632 5911 1 19 . 1 1 10 10 GLU N N 10 119.364 119.364 120.725 -1.361 19632 5912 1 19 . 1 1 10 10 GLU HA H 10 4.808 4.808 4.623 0.185 19632 5913 1 19 . 1 1 10 10 GLU CA C 10 53.481 53.481 52.521 0.960 19632 5914 1 19 . 1 1 10 10 GLU CB C 10 30.956 30.956 29.879 1.077 19632 5915 1 19 . 1 1 10 10 GLU H H 10 8.071 8.071 8.553 -0.482 19632 5916 1 19 . 1 1 11 11 PRO HA H 11 5.012 5.012 4.910 0.102 19632 5917 1 19 . 1 1 11 11 PRO CA C 11 63.350 63.350 62.413 0.937 19632 5918 1 19 . 1 1 11 11 PRO CB C 11 34.176 34.176 31.898 2.278 19632 5919 1 19 . 1 1 12 12 ASP N N 12 122.007 122.007 126.141 -4.134 19632 5920 1 19 . 1 1 12 12 ASP HA H 12 5.030 5.030 4.762 0.268 19632 5921 1 19 . 1 1 12 12 ASP CA C 12 53.249 53.249 53.454 -0.205 19632 5922 1 19 . 1 1 12 12 ASP CB C 12 45.006 45.006 42.371 2.635 19632 5923 1 19 . 1 1 12 12 ASP H H 12 9.396 9.396 8.283 1.113 19632 5924 1 19 . 1 1 13 13 VAL N N 13 120.517 120.517 126.223 -5.706 19632 5925 1 19 . 1 1 13 13 VAL HA H 13 5.090 5.090 3.950 1.140 19632 5926 1 19 . 1 1 13 13 VAL CA C 13 59.653 59.653 61.076 -1.423 19632 5927 1 19 . 1 1 13 13 VAL CB C 13 35.347 35.347 32.039 3.308 19632 5928 1 19 . 1 1 13 13 VAL H H 13 8.402 8.402 8.558 -0.156 19632 5929 1 19 . 1 1 14 14 THR N N 14 122.388 122.388 125.925 -3.537 19632 5930 1 19 . 1 1 14 14 THR HA H 14 4.465 4.465 4.341 0.124 19632 5931 1 19 . 1 1 14 14 THR CA C 14 61.591 61.591 62.314 -0.723 19632 5932 1 19 . 1 1 14 14 THR CB C 14 71.537 71.537 68.187 3.350 19632 5933 1 19 . 1 1 14 14 THR H H 14 8.397 8.397 8.840 -0.443 19632 5934 1 19 . 1 1 15 15 ILE N N 15 125.929 125.929 129.282 -3.353 19632 5935 1 19 . 1 1 15 15 ILE HA H 15 4.882 4.882 4.176 0.706 19632 5936 1 19 . 1 1 15 15 ILE CA C 15 60.655 60.655 61.331 -0.676 19632 5937 1 19 . 1 1 15 15 ILE CB C 15 40.004 40.004 37.369 2.635 19632 5938 1 19 . 1 1 15 15 ILE H H 15 8.628 8.628 8.448 0.180 19632 5939 1 19 . 1 1 16 16 ARG N N 16 125.332 125.332 128.857 -3.525 19632 5940 1 19 . 1 1 16 16 ARG HA H 16 4.662 4.662 4.788 -0.126 19632 5941 1 19 . 1 1 16 16 ARG CA C 16 54.731 54.731 53.821 0.910 19632 5942 1 19 . 1 1 16 16 ARG CB C 16 33.731 33.731 32.948 0.783 19632 5943 1 19 . 1 1 16 16 ARG H H 16 9.057 9.057 8.887 0.170 19632 5944 1 19 . 1 1 17 17 GLN N N 17 121.044 121.044 118.701 2.343 19632 5945 1 19 . 1 1 17 17 GLN HA H 17 4.803 4.803 4.656 0.147 19632 5946 1 19 . 1 1 17 17 GLN CA C 17 55.241 55.241 55.386 -0.145 19632 5947 1 19 . 1 1 17 17 GLN CB C 17 30.461 30.461 31.132 -0.671 19632 5948 1 19 . 1 1 17 17 GLN H H 17 8.508 8.508 8.590 -0.082 19632 5949 1 19 . 1 1 18 18 GLU N N 18 125.409 125.409 125.947 -0.538 19632 5950 1 19 . 1 1 18 18 GLU HA H 18 4.529 4.529 4.520 0.009 19632 5951 1 19 . 1 1 18 18 GLU CA C 18 55.018 55.018 54.253 0.765 19632 5952 1 19 . 1 1 18 18 GLU CB C 18 31.654 31.654 28.378 3.276 19632 5953 1 19 . 1 1 18 18 GLU H H 18 8.394 8.394 8.550 -0.156 19632 5954 1 19 . 1 1 19 19 GLY N N 19 114.286 114.286 114.254 0.032 19632 5955 1 19 . 1 1 19 19 GLY CA C 19 47.887 47.887 46.282 1.605 19632 5956 1 19 . 1 1 19 19 GLY H H 19 8.804 8.804 8.112 0.692 19632 5957 1 19 . 1 1 20 20 ASP N N 20 124.137 124.137 124.754 -0.617 19632 5958 1 19 . 1 1 20 20 ASP HA H 20 4.536 4.536 4.859 -0.323 19632 5959 1 19 . 1 1 20 20 ASP CA C 20 54.019 54.019 54.174 -0.155 19632 5960 1 19 . 1 1 20 20 ASP CB C 20 41.053 41.053 40.898 0.155 19632 5961 1 19 . 1 1 20 20 ASP H H 20 8.519 8.519 8.231 0.288 19632 5962 1 19 . 1 1 21 21 LYS N N 21 116.711 116.711 117.418 -0.707 19632 5963 1 19 . 1 1 21 21 LYS HA H 21 4.648 4.648 4.802 -0.154 19632 5964 1 19 . 1 1 21 21 LYS CA C 21 55.468 55.468 55.157 0.311 19632 5965 1 19 . 1 1 21 21 LYS CB C 21 34.941 34.941 35.280 -0.339 19632 5966 1 19 . 1 1 21 21 LYS H H 21 7.696 7.696 7.530 0.166 19632 5967 1 19 . 1 1 22 22 THR N N 22 118.655 118.655 122.470 -3.815 19632 5968 1 19 . 1 1 22 22 THR HA H 22 4.541 4.541 4.577 -0.036 19632 5969 1 19 . 1 1 22 22 THR CA C 22 62.936 62.936 63.333 -0.397 19632 5970 1 19 . 1 1 22 22 THR CB C 22 70.275 70.275 68.525 1.750 19632 5971 1 19 . 1 1 22 22 THR H H 22 7.994 7.994 8.316 -0.322 19632 5972 1 19 . 1 1 23 23 ILE N N 23 126.114 126.114 129.405 -3.291 19632 5973 1 19 . 1 1 23 23 ILE HA H 23 4.699 4.699 4.100 0.599 19632 5974 1 19 . 1 1 23 23 ILE CA C 23 59.119 59.119 60.681 -1.562 19632 5975 1 19 . 1 1 23 23 ILE CB C 23 40.729 40.729 37.734 2.995 19632 5976 1 19 . 1 1 23 23 ILE H H 23 8.957 8.957 8.547 0.410 19632 5977 1 19 . 1 1 24 24 GLN N N 24 123.560 123.560 128.179 -4.619 19632 5978 1 19 . 1 1 24 24 GLN HA H 24 5.121 5.121 4.828 0.293 19632 5979 1 19 . 1 1 24 24 GLN CA C 24 53.653 53.653 54.189 -0.536 19632 5980 1 19 . 1 1 24 24 GLN CB C 24 30.573 30.573 29.438 1.135 19632 5981 1 19 . 1 1 24 24 GLN H H 24 8.932 8.932 9.069 -0.137 19632 5982 1 19 . 1 1 25 25 GLU N N 25 122.651 122.651 125.219 -2.568 19632 5983 1 19 . 1 1 25 25 GLU HA H 25 4.462 4.462 4.565 -0.103 19632 5984 1 19 . 1 1 25 25 GLU CA C 25 55.548 55.548 55.363 0.185 19632 5985 1 19 . 1 1 25 25 GLU CB C 25 32.644 32.644 30.379 2.265 19632 5986 1 19 . 1 1 25 25 GLU H H 25 8.987 8.987 9.011 -0.024 19632 5987 1 19 . 1 1 26 26 TYR N N 26 124.044 124.044 127.374 -3.330 19632 5988 1 19 . 1 1 26 26 TYR HA H 26 4.756 4.756 4.253 0.503 19632 5989 1 19 . 1 1 26 26 TYR CA C 26 58.317 58.317 59.116 -0.799 19632 5990 1 19 . 1 1 26 26 TYR CB C 26 38.543 38.543 37.227 1.315 19632 5991 1 19 . 1 1 26 26 TYR H H 26 8.930 8.930 9.299 -0.369 19632 5992 1 19 . 1 1 27 27 ARG N N 27 119.739 119.739 124.354 -4.615 19632 5993 1 19 . 1 1 27 27 ARG HA H 27 5.657 5.657 5.171 0.486 19632 5994 1 19 . 1 1 27 27 ARG CA C 27 53.860 53.860 54.631 -0.771 19632 5995 1 19 . 1 1 27 27 ARG CB C 27 36.310 36.310 33.841 2.469 19632 5996 1 19 . 1 1 27 27 ARG H H 27 8.496 8.496 7.981 0.515 19632 5997 1 19 . 1 1 28 28 VAL N N 28 115.698 115.698 121.540 -5.842 19632 5998 1 19 . 1 1 28 28 VAL HA H 28 4.526 4.526 4.479 0.047 19632 5999 1 19 . 1 1 28 28 VAL CA C 28 60.002 60.002 62.593 -2.591 19632 6000 1 19 . 1 1 28 28 VAL CB C 28 34.889 34.889 33.506 1.383 19632 6001 1 19 . 1 1 28 28 VAL H H 28 8.716 8.716 8.403 0.313 19632 6002 1 19 . 1 1 29 29 ASN N N 29 128.827 128.827 117.431 11.396 19632 6003 1 19 . 1 1 29 29 ASN HA H 29 4.309 4.309 4.937 -0.628 19632 6004 1 19 . 1 1 29 29 ASN CA C 29 54.385 54.385 53.146 1.239 19632 6005 1 19 . 1 1 29 29 ASN CB C 29 38.270 38.270 38.627 -0.357 19632 6006 1 19 . 1 1 29 29 ASN H H 29 9.605 9.605 8.314 1.291 19632 6007 1 19 . 1 1 30 30 GLY N N 30 103.111 103.111 108.568 -5.457 19632 6008 1 19 . 1 1 30 30 GLY CA C 30 45.901 45.901 45.404 0.497 19632 6009 1 19 . 1 1 30 30 GLY H H 30 8.784 8.784 8.543 0.241 19632 6010 1 19 . 1 1 31 31 PHE N N 31 123.693 123.693 122.043 1.650 19632 6011 1 19 . 1 1 31 31 PHE HA H 31 4.529 4.529 4.781 -0.252 19632 6012 1 19 . 1 1 31 31 PHE CA C 31 57.924 57.924 56.894 1.030 19632 6013 1 19 . 1 1 31 31 PHE CB C 31 40.207 40.207 40.492 -0.285 19632 6014 1 19 . 1 1 31 31 PHE H H 31 8.191 8.191 7.791 0.400 19632 6015 1 19 . 1 1 32 32 LEU N N 32 130.348 130.348 129.151 1.197 19632 6016 1 19 . 1 1 32 32 LEU HA H 32 4.427 4.427 4.515 -0.088 19632 6017 1 19 . 1 1 32 32 LEU CA C 32 55.517 55.517 54.162 1.355 19632 6018 1 19 . 1 1 32 32 LEU CB C 32 42.468 42.468 42.207 0.261 19632 6019 1 19 . 1 1 32 32 LEU H H 32 8.171 8.171 8.215 -0.044 19632 6020 1 19 . 1 1 33 33 TYR N N 33 124.923 124.923 122.188 2.735 19632 6021 1 19 . 1 1 33 33 TYR HA H 33 4.557 4.557 4.869 -0.312 19632 6022 1 19 . 1 1 33 33 TYR CA C 33 56.404 56.404 55.802 0.602 19632 6023 1 19 . 1 1 33 33 TYR CB C 33 39.131 39.131 39.592 -0.461 19632 6024 1 19 . 1 1 33 33 TYR H H 33 8.415 8.415 8.758 -0.343 19632 6025 1 19 . 1 1 34 34 ALA N N 34 120.211 120.211 120.793 -0.582 19632 6026 1 19 . 1 1 34 34 ALA HA H 34 5.528 5.528 5.242 0.286 19632 6027 1 19 . 1 1 34 34 ALA CA C 34 52.196 52.196 52.189 0.007 19632 6028 1 19 . 1 1 34 34 ALA CB C 34 22.633 22.633 21.747 0.886 19632 6029 1 19 . 1 1 34 34 ALA H H 34 7.399 7.399 7.249 0.150 19632 6030 1 19 . 1 1 35 35 ILE N N 35 118.197 118.197 122.089 -3.892 19632 6031 1 19 . 1 1 35 35 ILE HA H 35 5.157 5.157 4.978 0.179 19632 6032 1 19 . 1 1 35 35 ILE CA C 35 60.000 60.000 60.205 -0.205 19632 6033 1 19 . 1 1 35 35 ILE CB C 35 43.639 43.639 41.538 2.101 19632 6034 1 19 . 1 1 35 35 ILE H H 35 9.224 9.224 9.124 0.100 19632 6035 1 19 . 1 1 36 36 LYS N N 36 127.872 127.872 128.800 -0.928 19632 6036 1 19 . 1 1 36 36 LYS HA H 36 4.204 4.204 4.787 -0.583 19632 6037 1 19 . 1 1 36 36 LYS CA C 36 55.245 55.245 54.415 0.830 19632 6038 1 19 . 1 1 36 36 LYS CB C 36 36.092 36.092 34.158 1.933 19632 6039 1 19 . 1 1 36 36 LYS H H 36 9.708 9.708 9.188 0.520 19632 6040 1 19 . 1 1 37 37 VAL N N 37 128.005 128.005 127.638 0.367 19632 6041 1 19 . 1 1 37 37 VAL HA H 37 4.043 4.043 4.265 -0.222 19632 6042 1 19 . 1 1 37 37 VAL CA C 37 61.840 61.840 61.050 0.790 19632 6043 1 19 . 1 1 37 37 VAL CB C 37 32.523 32.523 32.753 -0.230 19632 6044 1 19 . 1 1 37 37 VAL H H 37 8.551 8.551 8.062 0.489 19632 6045 1 19 . 1 1 38 38 VAL N N 38 125.034 125.034 125.899 -0.865 19632 6046 1 19 . 1 1 38 38 VAL HA H 38 4.277 4.277 4.367 -0.090 19632 6047 1 19 . 1 1 38 38 VAL CA C 38 59.287 59.287 58.282 1.005 19632 6048 1 19 . 1 1 38 38 VAL CB C 38 32.568 32.568 31.006 1.562 19632 6049 1 19 . 1 1 38 38 VAL H H 38 8.668 8.668 8.897 -0.229 19632 6050 1 19 . 1 1 39 39 PRO HA H 39 4.565 4.565 4.895 -0.330 19632 6051 1 19 . 1 1 39 39 PRO CA C 39 62.202 62.202 62.062 0.140 19632 6052 1 19 . 1 1 39 39 PRO CB C 39 32.887 32.887 32.562 0.325 19632 6053 1 19 . 1 1 40 40 LYS N N 40 121.622 121.622 121.134 0.488 19632 6054 1 19 . 1 1 40 40 LYS HA H 40 3.877 3.877 3.959 -0.082 19632 6055 1 19 . 1 1 40 40 LYS CA C 40 58.950 58.950 58.045 0.905 19632 6056 1 19 . 1 1 40 40 LYS CB C 40 32.988 32.988 32.471 0.517 19632 6057 1 19 . 1 1 40 40 LYS H H 40 8.275 8.275 8.765 -0.490 19632 6058 1 19 . 1 1 41 41 HIS N N 41 114.012 114.012 117.656 -3.644 19632 6059 1 19 . 1 1 41 41 HIS HA H 41 4.795 4.795 4.665 0.130 19632 6060 1 19 . 1 1 41 41 HIS CA C 41 54.904 54.904 55.839 -0.935 19632 6061 1 19 . 1 1 41 41 HIS CB C 41 30.835 30.835 28.732 2.103 19632 6062 1 19 . 1 1 41 41 HIS H H 41 8.040 8.040 7.993 0.047 19632 6063 1 19 . 1 1 42 42 GLY N N 42 109.068 109.068 109.828 -0.760 19632 6064 1 19 . 1 1 42 42 GLY CA C 42 44.482 44.482 44.998 -0.516 19632 6065 1 19 . 1 1 42 42 GLY H H 42 7.966 7.966 8.387 -0.421 19632 6066 1 19 . 1 1 43 43 LYS N N 43 120.287 120.287 118.607 1.680 19632 6067 1 19 . 1 1 43 43 LYS HA H 43 4.680 4.680 4.006 0.674 19632 6068 1 19 . 1 1 43 43 LYS CA C 43 54.392 54.392 56.351 -1.959 19632 6069 1 19 . 1 1 43 43 LYS CB C 43 33.511 33.511 31.222 2.289 19632 6070 1 19 . 1 1 43 43 LYS H H 43 8.209 8.209 7.692 0.517 19632 6071 1 19 . 1 1 44 44 PRO HA H 44 5.013 5.013 5.088 -0.075 19632 6072 1 19 . 1 1 44 44 PRO CA C 44 62.744 62.744 63.373 -0.629 19632 6073 1 19 . 1 1 44 44 PRO CB C 44 33.747 33.747 32.271 1.476 19632 6074 1 19 . 1 1 45 45 TYR N N 45 115.140 115.140 118.562 -3.422 19632 6075 1 19 . 1 1 45 45 TYR HA H 45 4.897 4.897 4.757 0.140 19632 6076 1 19 . 1 1 45 45 TYR CA C 45 56.387 56.387 56.013 0.374 19632 6077 1 19 . 1 1 45 45 TYR CB C 45 40.574 40.574 40.761 -0.187 19632 6078 1 19 . 1 1 45 45 TYR H H 45 8.176 8.176 8.421 -0.245 19632 6079 1 19 . 1 1 46 46 PHE N N 46 115.001 115.001 119.596 -4.595 19632 6080 1 19 . 1 1 46 46 PHE HA H 46 5.662 5.662 5.109 0.553 19632 6081 1 19 . 1 1 46 46 PHE CA C 46 56.395 56.395 56.920 -0.525 19632 6082 1 19 . 1 1 46 46 PHE CB C 46 43.736 43.736 41.577 2.159 19632 6083 1 19 . 1 1 46 46 PHE H H 46 8.607 8.607 8.992 -0.385 19632 6084 1 19 . 1 1 47 47 LEU N N 47 121.747 121.747 126.206 -4.459 19632 6085 1 19 . 1 1 47 47 LEU HA H 47 5.339 5.339 5.165 0.174 19632 6086 1 19 . 1 1 47 47 LEU CA C 47 54.116 54.116 53.985 0.131 19632 6087 1 19 . 1 1 47 47 LEU CB C 47 44.357 44.357 44.181 0.176 19632 6088 1 19 . 1 1 47 47 LEU H H 47 9.631 9.631 9.327 0.304 19632 6089 1 19 . 1 1 48 48 VAL N N 48 122.850 122.850 127.429 -4.579 19632 6090 1 19 . 1 1 48 48 VAL HA H 48 4.476 4.476 4.418 0.058 19632 6091 1 19 . 1 1 48 48 VAL CA C 48 61.559 61.559 61.986 -0.427 19632 6092 1 19 . 1 1 48 48 VAL CB C 48 35.232 35.232 33.395 1.837 19632 6093 1 19 . 1 1 48 48 VAL H H 48 9.334 9.334 9.424 -0.090 19632 6094 1 19 . 1 1 49 49 ARG N N 49 129.488 129.488 126.878 2.610 19632 6095 1 19 . 1 1 49 49 ARG HA H 49 3.045 3.045 3.858 -0.813 19632 6096 1 19 . 1 1 49 49 ARG CA C 49 56.623 56.623 54.907 1.716 19632 6097 1 19 . 1 1 49 49 ARG CB C 49 31.326 31.326 30.279 1.047 19632 6098 1 19 . 1 1 49 49 ARG H H 49 8.451 8.451 8.476 -0.025 19632 6099 1 19 . 1 1 50 50 ALA N N 50 131.016 131.016 129.853 1.163 19632 6100 1 19 . 1 1 50 50 ALA HA H 50 4.418 4.418 4.331 0.087 19632 6101 1 19 . 1 1 50 50 ALA CA C 50 51.502 51.502 51.229 0.273 19632 6102 1 19 . 1 1 50 50 ALA CB C 50 20.364 20.364 19.922 0.442 19632 6103 1 19 . 1 1 50 50 ALA H H 50 8.524 8.524 8.014 0.510 19632 6104 1 19 . 1 1 51 51 ASP N N 51 112.516 112.516 118.447 -5.931 19632 6105 1 19 . 1 1 51 51 ASP HA H 51 4.413 4.413 4.384 0.029 19632 6106 1 19 . 1 1 51 51 ASP CA C 51 54.301 54.301 54.953 -0.652 19632 6107 1 19 . 1 1 51 51 ASP CB C 51 41.710 41.710 41.580 0.131 19632 6108 1 19 . 1 1 51 51 ASP H H 51 8.597 8.597 8.376 0.221 19632 6109 1 19 . 1 1 52 52 GLY N N 52 106.147 106.147 111.649 -5.502 19632 6110 1 19 . 1 1 52 52 GLY CA C 52 45.499 45.499 45.745 -0.246 19632 6111 1 19 . 1 1 52 52 GLY H H 52 8.378 8.378 8.686 -0.308 19632 6112 1 19 . 1 1 53 53 SER N N 53 115.000 115.000 114.848 0.152 19632 6113 1 19 . 1 1 53 53 SER HA H 53 4.439 4.439 4.028 0.411 19632 6114 1 19 . 1 1 53 53 SER CA C 53 60.282 60.282 58.782 1.500 19632 6115 1 19 . 1 1 53 53 SER CB C 53 64.175 64.175 61.531 2.644 19632 6116 1 19 . 1 1 53 53 SER H H 53 8.677 8.677 7.832 0.845 19632 6117 1 19 . 1 1 54 54 ASP N N 54 119.220 119.220 121.474 -2.254 19632 6118 1 19 . 1 1 54 54 ASP HA H 54 4.595 4.595 4.527 0.068 19632 6119 1 19 . 1 1 54 54 ASP CA C 54 55.689 55.689 55.915 -0.226 19632 6120 1 19 . 1 1 54 54 ASP CB C 54 41.326 41.326 41.423 -0.097 19632 6121 1 19 . 1 1 54 54 ASP H H 54 8.364 8.364 8.344 0.020 19632 6122 1 19 . 1 1 55 55 GLY N N 55 107.460 107.460 105.816 1.644 19632 6123 1 19 . 1 1 55 55 GLY CA C 55 47.210 47.210 44.917 2.293 19632 6124 1 19 . 1 1 55 55 GLY H H 55 7.801 7.801 8.480 -0.679 19632 6125 1 19 . 1 1 56 56 ASN N N 56 116.076 116.076 115.580 0.496 19632 6126 1 19 . 1 1 56 56 ASN HA H 56 4.997 4.997 5.257 -0.260 19632 6127 1 19 . 1 1 56 56 ASN CA C 56 53.235 53.235 51.392 1.843 19632 6128 1 19 . 1 1 56 56 ASN CB C 56 41.540 41.540 40.960 0.580 19632 6129 1 19 . 1 1 56 56 ASN H H 56 7.919 7.919 7.519 0.400 19632 6130 1 19 . 1 1 57 57 PHE N N 57 118.405 118.405 117.126 1.279 19632 6131 1 19 . 1 1 57 57 PHE HA H 57 5.043 5.043 5.056 -0.013 19632 6132 1 19 . 1 1 57 57 PHE CA C 57 56.786 56.786 57.002 -0.216 19632 6133 1 19 . 1 1 57 57 PHE CB C 57 44.374 44.374 44.258 0.117 19632 6134 1 19 . 1 1 57 57 PHE H H 57 9.203 9.203 7.969 1.234 19632 6135 1 19 . 1 1 58 58 ILE N N 58 118.503 118.503 121.480 -2.977 19632 6136 1 19 . 1 1 58 58 ILE HA H 58 4.507 4.507 4.599 -0.092 19632 6137 1 19 . 1 1 58 58 ILE CA C 58 60.493 60.493 58.744 1.749 19632 6138 1 19 . 1 1 58 58 ILE CB C 58 42.447 42.447 38.581 3.865 19632 6139 1 19 . 1 1 58 58 ILE H H 58 9.222 9.222 9.317 -0.095 19632 6140 1 19 . 1 1 59 59 ARG N N 59 126.283 126.283 129.453 -3.170 19632 6141 1 19 . 1 1 59 59 ARG HA H 59 5.111 5.111 4.940 0.171 19632 6142 1 19 . 1 1 59 59 ARG CA C 59 55.839 55.839 55.785 0.054 19632 6143 1 19 . 1 1 59 59 ARG CB C 59 32.157 32.157 31.852 0.305 19632 6144 1 19 . 1 1 59 59 ARG H H 59 9.298 9.298 8.971 0.327 19632 6145 1 19 . 1 1 60 60 SER N N 60 119.913 119.913 123.712 -3.799 19632 6146 1 19 . 1 1 60 60 SER HA H 60 3.887 3.887 4.193 -0.306 19632 6147 1 19 . 1 1 60 60 SER CA C 60 62.373 62.373 61.737 0.636 19632 6148 1 19 . 1 1 60 60 SER CB C 60 62.777 62.777 62.938 -0.161 19632 6149 1 19 . 1 1 60 60 SER H H 60 9.698 9.698 9.415 0.283 19632 6150 1 19 . 1 1 61 61 ASP N N 61 117.504 117.504 121.463 -3.959 19632 6151 1 19 . 1 1 61 61 ASP HA H 61 4.764 4.764 4.466 0.298 19632 6152 1 19 . 1 1 61 61 ASP CA C 61 53.789 53.789 56.080 -2.291 19632 6153 1 19 . 1 1 61 61 ASP CB C 61 40.082 40.082 41.391 -1.309 19632 6154 1 19 . 1 1 61 61 ASP H H 61 8.769 8.769 8.520 0.249 19632 6155 1 19 . 1 1 62 62 GLN N N 62 118.595 118.595 116.623 1.972 19632 6156 1 19 . 1 1 62 62 GLN HA H 62 4.779 4.779 4.803 -0.024 19632 6157 1 19 . 1 1 62 62 GLN CA C 62 54.066 54.066 53.290 0.776 19632 6158 1 19 . 1 1 62 62 GLN CB C 62 30.309 30.309 29.476 0.833 19632 6159 1 19 . 1 1 62 62 GLN H H 62 7.467 7.467 7.717 -0.250 19632 6160 1 19 . 1 1 63 63 PRO HA H 63 4.662 4.662 4.510 0.152 19632 6161 1 19 . 1 1 63 63 PRO CB C 63 32.293 32.293 32.080 0.213 19632 6162 1 19 . 1 1 64 64 ASP N N 64 116.697 116.697 117.966 -1.269 19632 6163 1 19 . 1 1 64 64 ASP HA H 64 4.662 4.662 4.677 -0.015 19632 6164 1 19 . 1 1 64 64 ASP CA C 64 54.449 54.449 54.883 -0.434 19632 6165 1 19 . 1 1 64 64 ASP CB C 64 41.201 41.201 40.421 0.780 19632 6166 1 19 . 1 1 64 64 ASP H H 64 8.389 8.389 8.495 -0.106 19632 6167 1 19 . 1 1 65 65 LYS N N 65 119.781 119.781 119.458 0.323 19632 6168 1 19 . 1 1 65 65 LYS HA H 65 4.547 4.547 4.476 0.071 19632 6169 1 19 . 1 1 65 65 LYS CA C 65 55.469 55.469 55.201 0.268 19632 6170 1 19 . 1 1 65 65 LYS CB C 65 34.796 34.796 34.877 -0.081 19632 6171 1 19 . 1 1 65 65 LYS H H 65 7.592 7.592 7.460 0.132 19632 6172 1 19 . 1 1 66 66 LEU N N 66 125.131 125.131 124.890 0.241 19632 6173 1 19 . 1 1 66 66 LEU HA H 66 4.708 4.708 4.341 0.367 19632 6174 1 19 . 1 1 66 66 LEU CA C 66 54.496 54.496 54.581 -0.085 19632 6175 1 19 . 1 1 66 66 LEU CB C 66 44.010 44.010 42.318 1.692 19632 6176 1 19 . 1 1 66 66 LEU H H 66 8.300 8.300 8.439 -0.139 19632 6177 1 19 . 1 1 67 67 ILE N N 67 124.524 124.524 126.353 -1.829 19632 6178 1 19 . 1 1 67 67 ILE HA H 67 4.447 4.447 4.131 0.316 19632 6179 1 19 . 1 1 67 67 ILE CA C 67 57.824 57.824 58.364 -0.540 19632 6180 1 19 . 1 1 67 67 ILE CB C 67 40.744 40.744 37.004 3.740 19632 6181 1 19 . 1 1 67 67 ILE H H 67 9.427 9.427 8.818 0.609 19632 6182 1 19 . 1 1 68 68 PRO HA H 68 4.649 4.649 4.368 0.281 19632 6183 1 19 . 1 1 68 68 PRO CB C 68 32.644 32.644 32.169 0.475 19632 6184 1 19 . 1 1 69 69 GLN N N 69 119.126 119.126 118.604 0.522 19632 6185 1 19 . 1 1 69 69 GLN HA H 69 3.730 3.730 4.009 -0.279 19632 6186 1 19 . 1 1 69 69 GLN CA C 69 59.447 59.447 59.344 0.103 19632 6187 1 19 . 1 1 69 69 GLN CB C 69 28.819 28.819 28.636 0.183 19632 6188 1 19 . 1 1 69 69 GLN H H 69 8.386 8.386 8.455 -0.069 19632 6189 1 19 . 1 1 70 70 TRP N N 70 112.076 112.076 115.080 -3.004 19632 6190 1 19 . 1 1 70 70 TRP HA H 70 4.525 4.525 4.569 -0.044 19632 6191 1 19 . 1 1 70 70 TRP CA C 70 58.197 58.197 57.874 0.323 19632 6192 1 19 . 1 1 70 70 TRP CB C 70 28.016 28.016 28.541 -0.525 19632 6193 1 19 . 1 1 70 70 TRP H H 70 6.972 6.972 7.795 -0.823 19632 6194 1 19 . 1 1 71 71 GLU N N 71 119.388 119.388 119.070 0.318 19632 6195 1 19 . 1 1 71 71 GLU HA H 71 4.249 4.249 4.227 0.022 19632 6196 1 19 . 1 1 71 71 GLU CA C 71 56.654 56.654 57.550 -0.896 19632 6197 1 19 . 1 1 71 71 GLU CB C 71 30.938 30.938 30.201 0.737 19632 6198 1 19 . 1 1 71 71 GLU H H 71 7.386 7.386 7.100 0.286 19632 6199 1 19 . 1 1 72 72 ILE N N 72 115.759 115.759 118.651 -2.892 19632 6200 1 19 . 1 1 72 72 ILE HA H 72 3.324 3.324 3.472 -0.148 19632 6201 1 19 . 1 1 72 72 ILE CA C 72 64.205 64.205 63.977 0.228 19632 6202 1 19 . 1 1 72 72 ILE CB C 72 38.012 38.012 37.712 0.300 19632 6203 1 19 . 1 1 72 72 ILE H H 72 6.754 6.754 7.636 -0.882 19632 6204 1 19 . 1 1 73 73 PHE N N 73 115.942 115.942 116.681 -0.739 19632 6205 1 19 . 1 1 73 73 PHE HA H 73 4.248 4.248 4.201 0.047 19632 6206 1 19 . 1 1 73 73 PHE CA C 73 56.514 56.514 55.822 0.692 19632 6207 1 19 . 1 1 73 73 PHE CB C 73 38.479 38.479 37.913 0.566 19632 6208 1 19 . 1 1 73 73 PHE H H 73 7.388 7.388 7.341 0.047 19632 6209 1 19 . 1 1 74 74 SER N N 74 114.787 114.787 115.755 -0.968 19632 6210 1 19 . 1 1 74 74 SER HA H 74 4.358 4.358 4.386 -0.028 19632 6211 1 19 . 1 1 74 74 SER CA C 74 58.265 58.265 60.209 -1.944 19632 6212 1 19 . 1 1 74 74 SER CB C 74 63.783 63.783 63.781 0.002 19632 6213 1 19 . 1 1 74 74 SER H H 74 7.203 7.203 7.257 -0.054 19632 6214 1 20 . 1 1 2 2 ALA HA H 2 4.290 4.290 4.505 -0.215 19632 6215 1 20 . 1 1 2 2 ALA CA C 2 53.589 53.589 51.767 1.822 19632 6216 1 20 . 1 1 2 2 ALA CB C 2 19.556 19.556 19.196 0.360 19632 6217 1 20 . 1 1 5 5 ASP N N 5 116.992 116.992 118.060 -1.068 19632 6218 1 20 . 1 1 5 5 ASP HA H 5 4.622 4.622 4.721 -0.099 19632 6219 1 20 . 1 1 5 5 ASP CA C 5 54.508 54.508 54.217 0.291 19632 6220 1 20 . 1 1 5 5 ASP CB C 5 41.375 41.375 42.719 -1.344 19632 6221 1 20 . 1 1 5 5 ASP H H 5 8.372 8.372 8.503 -0.131 19632 6222 1 20 . 1 1 6 6 ALA N N 6 124.275 124.275 123.048 1.227 19632 6223 1 20 . 1 1 6 6 ALA HA H 6 4.582 4.582 4.612 -0.030 19632 6224 1 20 . 1 1 6 6 ALA CA C 6 48.068 48.068 52.017 -3.949 19632 6225 1 20 . 1 1 6 6 ALA CB C 6 18.765 18.765 19.698 -0.933 19632 6226 1 20 . 1 1 6 6 ALA H H 6 7.984 7.984 8.480 -0.496 19632 6227 1 20 . 1 1 7 7 PRO HA H 7 4.486 4.486 4.680 -0.194 19632 6228 1 20 . 1 1 7 7 PRO CA C 7 63.406 63.406 62.804 0.601 19632 6229 1 20 . 1 1 7 7 PRO CB C 7 32.491 32.491 31.161 1.330 19632 6230 1 20 . 1 1 8 8 SER N N 8 115.947 115.947 120.393 -4.446 19632 6231 1 20 . 1 1 8 8 SER HA H 8 4.483 4.483 4.459 0.024 19632 6232 1 20 . 1 1 8 8 SER CA C 8 58.635 58.635 58.416 0.219 19632 6233 1 20 . 1 1 8 8 SER CB C 8 64.447 64.447 62.831 1.616 19632 6234 1 20 . 1 1 8 8 SER H H 8 8.424 8.424 8.451 -0.027 19632 6235 1 20 . 1 1 9 9 GLY N N 9 109.902 109.902 113.295 -3.393 19632 6236 1 20 . 1 1 9 9 GLY CA C 9 45.804 45.804 45.247 0.557 19632 6237 1 20 . 1 1 9 9 GLY H H 9 8.352 8.352 7.913 0.439 19632 6238 1 20 . 1 1 10 10 GLU N N 10 119.364 119.364 122.685 -3.321 19632 6239 1 20 . 1 1 10 10 GLU HA H 10 4.808 4.808 4.656 0.152 19632 6240 1 20 . 1 1 10 10 GLU CA C 10 53.481 53.481 52.552 0.929 19632 6241 1 20 . 1 1 10 10 GLU CB C 10 30.956 30.956 30.707 0.249 19632 6242 1 20 . 1 1 10 10 GLU H H 10 8.071 8.071 8.328 -0.257 19632 6243 1 20 . 1 1 11 11 PRO HA H 11 5.012 5.012 5.263 -0.251 19632 6244 1 20 . 1 1 11 11 PRO CA C 11 63.350 63.350 62.313 1.037 19632 6245 1 20 . 1 1 11 11 PRO CB C 11 34.176 34.176 31.639 2.537 19632 6246 1 20 . 1 1 12 12 ASP N N 12 122.007 122.007 125.205 -3.198 19632 6247 1 20 . 1 1 12 12 ASP HA H 12 5.030 5.030 4.797 0.233 19632 6248 1 20 . 1 1 12 12 ASP CA C 12 53.249 53.249 52.946 0.303 19632 6249 1 20 . 1 1 12 12 ASP CB C 12 45.006 45.006 44.078 0.928 19632 6250 1 20 . 1 1 12 12 ASP H H 12 9.396 9.396 8.775 0.621 19632 6251 1 20 . 1 1 13 13 VAL N N 13 120.517 120.517 122.601 -2.084 19632 6252 1 20 . 1 1 13 13 VAL HA H 13 5.090 5.090 4.928 0.162 19632 6253 1 20 . 1 1 13 13 VAL CA C 13 59.653 59.653 59.803 -0.150 19632 6254 1 20 . 1 1 13 13 VAL CB C 13 35.347 35.347 34.768 0.579 19632 6255 1 20 . 1 1 13 13 VAL H H 13 8.402 8.402 8.300 0.102 19632 6256 1 20 . 1 1 14 14 THR N N 14 122.388 122.388 125.561 -3.173 19632 6257 1 20 . 1 1 14 14 THR HA H 14 4.465 4.465 4.376 0.089 19632 6258 1 20 . 1 1 14 14 THR CA C 14 61.591 61.591 62.369 -0.778 19632 6259 1 20 . 1 1 14 14 THR CB C 14 71.537 71.537 69.070 2.467 19632 6260 1 20 . 1 1 14 14 THR H H 14 8.397 8.397 8.583 -0.186 19632 6261 1 20 . 1 1 15 15 ILE N N 15 125.929 125.929 128.393 -2.464 19632 6262 1 20 . 1 1 15 15 ILE HA H 15 4.882 4.882 4.436 0.446 19632 6263 1 20 . 1 1 15 15 ILE CA C 15 60.655 60.655 60.721 -0.066 19632 6264 1 20 . 1 1 15 15 ILE CB C 15 40.004 40.004 38.325 1.679 19632 6265 1 20 . 1 1 15 15 ILE H H 15 8.628 8.628 8.694 -0.066 19632 6266 1 20 . 1 1 16 16 ARG N N 16 125.332 125.332 128.067 -2.735 19632 6267 1 20 . 1 1 16 16 ARG HA H 16 4.662 4.662 4.713 -0.051 19632 6268 1 20 . 1 1 16 16 ARG CA C 16 54.731 54.731 53.744 0.987 19632 6269 1 20 . 1 1 16 16 ARG CB C 16 33.731 33.731 34.152 -0.421 19632 6270 1 20 . 1 1 16 16 ARG H H 16 9.057 9.057 8.799 0.258 19632 6271 1 20 . 1 1 17 17 GLN N N 17 121.044 121.044 120.012 1.032 19632 6272 1 20 . 1 1 17 17 GLN HA H 17 4.803 4.803 4.462 0.341 19632 6273 1 20 . 1 1 17 17 GLN CA C 17 55.241 55.241 55.376 -0.135 19632 6274 1 20 . 1 1 17 17 GLN CB C 17 30.461 30.461 30.404 0.057 19632 6275 1 20 . 1 1 17 17 GLN H H 17 8.508 8.508 8.624 -0.116 19632 6276 1 20 . 1 1 18 18 GLU N N 18 125.409 125.409 125.668 -0.259 19632 6277 1 20 . 1 1 18 18 GLU HA H 18 4.529 4.529 4.564 -0.035 19632 6278 1 20 . 1 1 18 18 GLU CA C 18 55.018 55.018 54.916 0.102 19632 6279 1 20 . 1 1 18 18 GLU CB C 18 31.654 31.654 29.666 1.988 19632 6280 1 20 . 1 1 18 18 GLU H H 18 8.394 8.394 8.455 -0.061 19632 6281 1 20 . 1 1 19 19 GLY N N 19 114.286 114.286 116.590 -2.304 19632 6282 1 20 . 1 1 19 19 GLY CA C 19 47.887 47.887 46.489 1.398 19632 6283 1 20 . 1 1 19 19 GLY H H 19 8.804 8.804 8.626 0.178 19632 6284 1 20 . 1 1 20 20 ASP N N 20 124.137 124.137 125.865 -1.728 19632 6285 1 20 . 1 1 20 20 ASP HA H 20 4.536 4.536 4.770 -0.234 19632 6286 1 20 . 1 1 20 20 ASP CA C 20 54.019 54.019 53.913 0.106 19632 6287 1 20 . 1 1 20 20 ASP CB C 20 41.053 41.053 40.919 0.134 19632 6288 1 20 . 1 1 20 20 ASP H H 20 8.519 8.519 8.494 0.025 19632 6289 1 20 . 1 1 21 21 LYS N N 21 116.711 116.711 119.362 -2.651 19632 6290 1 20 . 1 1 21 21 LYS HA H 21 4.648 4.648 5.109 -0.461 19632 6291 1 20 . 1 1 21 21 LYS CA C 21 55.468 55.468 54.550 0.918 19632 6292 1 20 . 1 1 21 21 LYS CB C 21 34.941 34.941 34.723 0.218 19632 6293 1 20 . 1 1 21 21 LYS H H 21 7.696 7.696 7.564 0.132 19632 6294 1 20 . 1 1 22 22 THR N N 22 118.655 118.655 122.297 -3.642 19632 6295 1 20 . 1 1 22 22 THR HA H 22 4.541 4.541 4.632 -0.091 19632 6296 1 20 . 1 1 22 22 THR CA C 22 62.936 62.936 63.243 -0.307 19632 6297 1 20 . 1 1 22 22 THR CB C 22 70.275 70.275 68.764 1.510 19632 6298 1 20 . 1 1 22 22 THR H H 22 7.994 7.994 8.802 -0.808 19632 6299 1 20 . 1 1 23 23 ILE N N 23 126.114 126.114 129.104 -2.990 19632 6300 1 20 . 1 1 23 23 ILE HA H 23 4.699 4.699 4.079 0.620 19632 6301 1 20 . 1 1 23 23 ILE CA C 23 59.119 59.119 60.522 -1.403 19632 6302 1 20 . 1 1 23 23 ILE CB C 23 40.729 40.729 37.980 2.749 19632 6303 1 20 . 1 1 23 23 ILE H H 23 8.957 8.957 8.923 0.034 19632 6304 1 20 . 1 1 24 24 GLN N N 24 123.560 123.560 127.445 -3.885 19632 6305 1 20 . 1 1 24 24 GLN HA H 24 5.121 5.121 5.078 0.043 19632 6306 1 20 . 1 1 24 24 GLN CA C 24 53.653 53.653 53.627 0.026 19632 6307 1 20 . 1 1 24 24 GLN CB C 24 30.573 30.573 30.145 0.428 19632 6308 1 20 . 1 1 24 24 GLN H H 24 8.932 8.932 8.759 0.173 19632 6309 1 20 . 1 1 25 25 GLU N N 25 122.651 122.651 124.836 -2.185 19632 6310 1 20 . 1 1 25 25 GLU HA H 25 4.462 4.462 4.431 0.031 19632 6311 1 20 . 1 1 25 25 GLU CA C 25 55.548 55.548 55.581 -0.033 19632 6312 1 20 . 1 1 25 25 GLU CB C 25 32.644 32.644 30.459 2.185 19632 6313 1 20 . 1 1 25 25 GLU H H 25 8.987 8.987 8.757 0.230 19632 6314 1 20 . 1 1 26 26 TYR N N 26 124.044 124.044 126.768 -2.724 19632 6315 1 20 . 1 1 26 26 TYR HA H 26 4.756 4.756 4.670 0.086 19632 6316 1 20 . 1 1 26 26 TYR CA C 26 58.317 58.317 58.687 -0.370 19632 6317 1 20 . 1 1 26 26 TYR CB C 26 38.543 38.543 38.025 0.518 19632 6318 1 20 . 1 1 26 26 TYR H H 26 8.930 8.930 8.886 0.044 19632 6319 1 20 . 1 1 27 27 ARG N N 27 119.739 119.739 123.447 -3.708 19632 6320 1 20 . 1 1 27 27 ARG HA H 27 5.657 5.657 5.048 0.609 19632 6321 1 20 . 1 1 27 27 ARG CA C 27 53.860 53.860 54.880 -1.020 19632 6322 1 20 . 1 1 27 27 ARG CB C 27 36.310 36.310 33.281 3.029 19632 6323 1 20 . 1 1 27 27 ARG H H 27 8.496 8.496 9.061 -0.565 19632 6324 1 20 . 1 1 28 28 VAL N N 28 115.698 115.698 120.782 -5.084 19632 6325 1 20 . 1 1 28 28 VAL HA H 28 4.526 4.526 4.511 0.015 19632 6326 1 20 . 1 1 28 28 VAL CA C 28 60.002 60.002 62.187 -2.185 19632 6327 1 20 . 1 1 28 28 VAL CB C 28 34.889 34.889 34.153 0.736 19632 6328 1 20 . 1 1 28 28 VAL H H 28 8.716 8.716 8.482 0.234 19632 6329 1 20 . 1 1 29 29 ASN N N 29 128.827 128.827 116.984 11.843 19632 6330 1 20 . 1 1 29 29 ASN HA H 29 4.309 4.309 4.776 -0.467 19632 6331 1 20 . 1 1 29 29 ASN CA C 29 54.385 54.385 53.779 0.606 19632 6332 1 20 . 1 1 29 29 ASN CB C 29 38.270 38.270 38.678 -0.408 19632 6333 1 20 . 1 1 29 29 ASN H H 29 9.605 9.605 8.064 1.541 19632 6334 1 20 . 1 1 30 30 GLY N N 30 103.111 103.111 108.016 -4.905 19632 6335 1 20 . 1 1 30 30 GLY CA C 30 45.901 45.901 45.669 0.232 19632 6336 1 20 . 1 1 30 30 GLY H H 30 8.784 8.784 8.725 0.059 19632 6337 1 20 . 1 1 31 31 PHE N N 31 123.693 123.693 123.042 0.651 19632 6338 1 20 . 1 1 31 31 PHE HA H 31 4.529 4.529 4.766 -0.237 19632 6339 1 20 . 1 1 31 31 PHE CA C 31 57.924 57.924 56.809 1.115 19632 6340 1 20 . 1 1 31 31 PHE CB C 31 40.207 40.207 40.123 0.084 19632 6341 1 20 . 1 1 31 31 PHE H H 31 8.191 8.191 7.828 0.363 19632 6342 1 20 . 1 1 32 32 LEU N N 32 130.348 130.348 128.619 1.729 19632 6343 1 20 . 1 1 32 32 LEU HA H 32 4.427 4.427 4.350 0.077 19632 6344 1 20 . 1 1 32 32 LEU CA C 32 55.517 55.517 54.961 0.556 19632 6345 1 20 . 1 1 32 32 LEU CB C 32 42.468 42.468 42.416 0.052 19632 6346 1 20 . 1 1 32 32 LEU H H 32 8.171 8.171 8.545 -0.374 19632 6347 1 20 . 1 1 33 33 TYR N N 33 124.923 124.923 119.884 5.039 19632 6348 1 20 . 1 1 33 33 TYR HA H 33 4.557 4.557 4.712 -0.155 19632 6349 1 20 . 1 1 33 33 TYR CA C 33 56.404 56.404 56.614 -0.210 19632 6350 1 20 . 1 1 33 33 TYR CB C 33 39.131 39.131 40.429 -1.298 19632 6351 1 20 . 1 1 33 33 TYR H H 33 8.415 8.415 8.214 0.201 19632 6352 1 20 . 1 1 34 34 ALA N N 34 120.211 120.211 121.345 -1.134 19632 6353 1 20 . 1 1 34 34 ALA HA H 34 5.528 5.528 5.168 0.360 19632 6354 1 20 . 1 1 34 34 ALA CA C 34 52.196 52.196 51.129 1.067 19632 6355 1 20 . 1 1 34 34 ALA CB C 34 22.633 22.633 22.181 0.452 19632 6356 1 20 . 1 1 34 34 ALA H H 34 7.399 7.399 7.019 0.380 19632 6357 1 20 . 1 1 35 35 ILE N N 35 118.197 118.197 122.555 -4.358 19632 6358 1 20 . 1 1 35 35 ILE HA H 35 5.157 5.157 4.928 0.229 19632 6359 1 20 . 1 1 35 35 ILE CA C 35 60.000 60.000 60.258 -0.258 19632 6360 1 20 . 1 1 35 35 ILE CB C 35 43.639 43.639 41.675 1.964 19632 6361 1 20 . 1 1 35 35 ILE H H 35 9.224 9.224 8.851 0.373 19632 6362 1 20 . 1 1 36 36 LYS N N 36 127.872 127.872 129.084 -1.212 19632 6363 1 20 . 1 1 36 36 LYS HA H 36 4.204 4.204 4.553 -0.349 19632 6364 1 20 . 1 1 36 36 LYS CA C 36 55.245 55.245 54.805 0.440 19632 6365 1 20 . 1 1 36 36 LYS CB C 36 36.092 36.092 33.693 2.400 19632 6366 1 20 . 1 1 36 36 LYS H H 36 9.708 9.708 8.962 0.746 19632 6367 1 20 . 1 1 37 37 VAL N N 37 128.005 128.005 128.220 -0.215 19632 6368 1 20 . 1 1 37 37 VAL HA H 37 4.043 4.043 4.540 -0.497 19632 6369 1 20 . 1 1 37 37 VAL CA C 37 61.840 61.840 59.891 1.949 19632 6370 1 20 . 1 1 37 37 VAL CB C 37 32.523 32.523 34.140 -1.617 19632 6371 1 20 . 1 1 37 37 VAL H H 37 8.551 8.551 7.716 0.835 19632 6372 1 20 . 1 1 38 38 VAL N N 38 125.034 125.034 129.527 -4.493 19632 6373 1 20 . 1 1 38 38 VAL HA H 38 4.277 4.277 4.451 -0.174 19632 6374 1 20 . 1 1 38 38 VAL CA C 38 59.287 59.287 58.231 1.056 19632 6375 1 20 . 1 1 38 38 VAL CB C 38 32.568 32.568 30.960 1.608 19632 6376 1 20 . 1 1 38 38 VAL H H 38 8.668 8.668 9.081 -0.413 19632 6377 1 20 . 1 1 39 39 PRO HA H 39 4.565 4.565 5.098 -0.533 19632 6378 1 20 . 1 1 39 39 PRO CA C 39 62.202 62.202 61.381 0.821 19632 6379 1 20 . 1 1 39 39 PRO CB C 39 32.887 32.887 33.255 -0.368 19632 6380 1 20 . 1 1 40 40 LYS N N 40 121.622 121.622 121.248 0.374 19632 6381 1 20 . 1 1 40 40 LYS HA H 40 3.877 3.877 3.897 -0.020 19632 6382 1 20 . 1 1 40 40 LYS CA C 40 58.950 58.950 58.390 0.560 19632 6383 1 20 . 1 1 40 40 LYS CB C 40 32.988 32.988 32.189 0.799 19632 6384 1 20 . 1 1 40 40 LYS H H 40 8.275 8.275 8.318 -0.043 19632 6385 1 20 . 1 1 41 41 HIS N N 41 114.012 114.012 116.713 -2.701 19632 6386 1 20 . 1 1 41 41 HIS HA H 41 4.795 4.795 4.706 0.089 19632 6387 1 20 . 1 1 41 41 HIS CA C 41 54.904 54.904 54.761 0.143 19632 6388 1 20 . 1 1 41 41 HIS CB C 41 30.835 30.835 28.606 2.229 19632 6389 1 20 . 1 1 41 41 HIS H H 41 8.040 8.040 7.730 0.310 19632 6390 1 20 . 1 1 42 42 GLY N N 42 109.068 109.068 108.755 0.313 19632 6391 1 20 . 1 1 42 42 GLY CA C 42 44.482 44.482 44.789 -0.308 19632 6392 1 20 . 1 1 42 42 GLY H H 42 7.966 7.966 8.297 -0.331 19632 6393 1 20 . 1 1 43 43 LYS N N 43 120.287 120.287 118.509 1.778 19632 6394 1 20 . 1 1 43 43 LYS HA H 43 4.680 4.680 4.100 0.580 19632 6395 1 20 . 1 1 43 43 LYS CA C 43 54.392 54.392 56.571 -2.179 19632 6396 1 20 . 1 1 43 43 LYS CB C 43 33.511 33.511 31.575 1.936 19632 6397 1 20 . 1 1 43 43 LYS H H 43 8.209 8.209 7.663 0.546 19632 6398 1 20 . 1 1 44 44 PRO HA H 44 5.013 5.013 4.538 0.475 19632 6399 1 20 . 1 1 44 44 PRO CA C 44 62.744 62.744 63.365 -0.621 19632 6400 1 20 . 1 1 44 44 PRO CB C 44 33.747 33.747 32.011 1.736 19632 6401 1 20 . 1 1 45 45 TYR N N 45 115.140 115.140 121.099 -5.959 19632 6402 1 20 . 1 1 45 45 TYR HA H 45 4.897 4.897 4.846 0.051 19632 6403 1 20 . 1 1 45 45 TYR CA C 45 56.387 56.387 54.982 1.405 19632 6404 1 20 . 1 1 45 45 TYR CB C 45 40.574 40.574 40.210 0.364 19632 6405 1 20 . 1 1 45 45 TYR H H 45 8.176 8.176 8.314 -0.138 19632 6406 1 20 . 1 1 46 46 PHE N N 46 115.001 115.001 120.190 -5.189 19632 6407 1 20 . 1 1 46 46 PHE HA H 46 5.662 5.662 4.718 0.944 19632 6408 1 20 . 1 1 46 46 PHE CA C 46 56.395 56.395 57.240 -0.845 19632 6409 1 20 . 1 1 46 46 PHE CB C 46 43.736 43.736 39.848 3.888 19632 6410 1 20 . 1 1 46 46 PHE H H 46 8.607 8.607 8.914 -0.307 19632 6411 1 20 . 1 1 47 47 LEU N N 47 121.747 121.747 126.703 -4.956 19632 6412 1 20 . 1 1 47 47 LEU HA H 47 5.339 5.339 4.989 0.350 19632 6413 1 20 . 1 1 47 47 LEU CA C 47 54.116 54.116 53.887 0.229 19632 6414 1 20 . 1 1 47 47 LEU CB C 47 44.357 44.357 43.361 0.996 19632 6415 1 20 . 1 1 47 47 LEU H H 47 9.631 9.631 9.176 0.455 19632 6416 1 20 . 1 1 48 48 VAL N N 48 122.850 122.850 127.704 -4.854 19632 6417 1 20 . 1 1 48 48 VAL HA H 48 4.476 4.476 4.348 0.128 19632 6418 1 20 . 1 1 48 48 VAL CA C 48 61.559 61.559 61.578 -0.019 19632 6419 1 20 . 1 1 48 48 VAL CB C 48 35.232 35.232 32.567 2.665 19632 6420 1 20 . 1 1 48 48 VAL H H 48 9.334 9.334 9.399 -0.065 19632 6421 1 20 . 1 1 49 49 ARG N N 49 129.488 129.488 128.707 0.781 19632 6422 1 20 . 1 1 49 49 ARG HA H 49 3.045 3.045 3.560 -0.515 19632 6423 1 20 . 1 1 49 49 ARG CA C 49 56.623 56.623 54.274 2.349 19632 6424 1 20 . 1 1 49 49 ARG CB C 49 31.326 31.326 30.108 1.218 19632 6425 1 20 . 1 1 49 49 ARG H H 49 8.451 8.451 8.483 -0.032 19632 6426 1 20 . 1 1 50 50 ALA N N 50 131.016 131.016 129.555 1.461 19632 6427 1 20 . 1 1 50 50 ALA HA H 50 4.418 4.418 4.312 0.106 19632 6428 1 20 . 1 1 50 50 ALA CA C 50 51.502 51.502 51.081 0.421 19632 6429 1 20 . 1 1 50 50 ALA CB C 50 20.364 20.364 20.090 0.274 19632 6430 1 20 . 1 1 50 50 ALA H H 50 8.524 8.524 7.726 0.798 19632 6431 1 20 . 1 1 51 51 ASP N N 51 112.516 112.516 119.584 -7.068 19632 6432 1 20 . 1 1 51 51 ASP HA H 51 4.413 4.413 4.451 -0.038 19632 6433 1 20 . 1 1 51 51 ASP CA C 51 54.301 54.301 54.797 -0.496 19632 6434 1 20 . 1 1 51 51 ASP CB C 51 41.710 41.710 40.555 1.155 19632 6435 1 20 . 1 1 51 51 ASP H H 51 8.597 8.597 8.323 0.274 19632 6436 1 20 . 1 1 52 52 GLY N N 52 106.147 106.147 110.410 -4.263 19632 6437 1 20 . 1 1 52 52 GLY CA C 52 45.499 45.499 44.409 1.090 19632 6438 1 20 . 1 1 52 52 GLY H H 52 8.378 8.378 8.148 0.230 19632 6439 1 20 . 1 1 53 53 SER N N 53 115.000 115.000 116.199 -1.199 19632 6440 1 20 . 1 1 53 53 SER HA H 53 4.439 4.439 4.476 -0.037 19632 6441 1 20 . 1 1 53 53 SER CA C 53 60.282 60.282 58.106 2.176 19632 6442 1 20 . 1 1 53 53 SER CB C 53 64.175 64.175 62.931 1.244 19632 6443 1 20 . 1 1 53 53 SER H H 53 8.677 8.677 8.624 0.053 19632 6444 1 20 . 1 1 54 54 ASP N N 54 119.220 119.220 121.343 -2.123 19632 6445 1 20 . 1 1 54 54 ASP HA H 54 4.595 4.595 4.494 0.101 19632 6446 1 20 . 1 1 54 54 ASP CA C 54 55.689 55.689 54.696 0.994 19632 6447 1 20 . 1 1 54 54 ASP CB C 54 41.326 41.326 41.245 0.082 19632 6448 1 20 . 1 1 54 54 ASP H H 54 8.364 8.364 8.024 0.340 19632 6449 1 20 . 1 1 55 55 GLY N N 55 107.460 107.460 107.844 -0.384 19632 6450 1 20 . 1 1 55 55 GLY CA C 55 47.210 47.210 44.976 2.234 19632 6451 1 20 . 1 1 55 55 GLY H H 55 7.801 7.801 8.530 -0.729 19632 6452 1 20 . 1 1 56 56 ASN N N 56 116.076 116.076 116.337 -0.261 19632 6453 1 20 . 1 1 56 56 ASN HA H 56 4.997 4.997 5.039 -0.042 19632 6454 1 20 . 1 1 56 56 ASN CA C 56 53.235 53.235 51.862 1.373 19632 6455 1 20 . 1 1 56 56 ASN CB C 56 41.540 41.540 41.208 0.332 19632 6456 1 20 . 1 1 56 56 ASN H H 56 7.919 7.919 7.729 0.190 19632 6457 1 20 . 1 1 57 57 PHE N N 57 118.405 118.405 118.918 -0.513 19632 6458 1 20 . 1 1 57 57 PHE HA H 57 5.043 5.043 5.244 -0.201 19632 6459 1 20 . 1 1 57 57 PHE CA C 57 56.786 56.786 56.359 0.427 19632 6460 1 20 . 1 1 57 57 PHE CB C 57 44.374 44.374 43.408 0.966 19632 6461 1 20 . 1 1 57 57 PHE H H 57 9.203 9.203 8.047 1.156 19632 6462 1 20 . 1 1 58 58 ILE N N 58 118.503 118.503 120.811 -2.308 19632 6463 1 20 . 1 1 58 58 ILE HA H 58 4.507 4.507 4.554 -0.047 19632 6464 1 20 . 1 1 58 58 ILE CA C 58 60.493 60.493 59.075 1.418 19632 6465 1 20 . 1 1 58 58 ILE CB C 58 42.447 42.447 38.662 3.785 19632 6466 1 20 . 1 1 58 58 ILE H H 58 9.222 9.222 9.384 -0.162 19632 6467 1 20 . 1 1 59 59 ARG N N 59 126.283 126.283 128.419 -2.136 19632 6468 1 20 . 1 1 59 59 ARG HA H 59 5.111 5.111 4.816 0.295 19632 6469 1 20 . 1 1 59 59 ARG CA C 59 55.839 55.839 56.369 -0.530 19632 6470 1 20 . 1 1 59 59 ARG CB C 59 32.157 32.157 31.399 0.758 19632 6471 1 20 . 1 1 59 59 ARG H H 59 9.298 9.298 8.732 0.566 19632 6472 1 20 . 1 1 60 60 SER N N 60 119.913 119.913 124.673 -4.760 19632 6473 1 20 . 1 1 60 60 SER HA H 60 3.887 3.887 4.319 -0.432 19632 6474 1 20 . 1 1 60 60 SER CA C 60 62.373 62.373 60.700 1.673 19632 6475 1 20 . 1 1 60 60 SER CB C 60 62.777 62.777 62.940 -0.163 19632 6476 1 20 . 1 1 60 60 SER H H 60 9.698 9.698 9.353 0.345 19632 6477 1 20 . 1 1 61 61 ASP N N 61 117.504 117.504 120.003 -2.499 19632 6478 1 20 . 1 1 61 61 ASP HA H 61 4.764 4.764 4.569 0.195 19632 6479 1 20 . 1 1 61 61 ASP CA C 61 53.789 53.789 55.844 -2.055 19632 6480 1 20 . 1 1 61 61 ASP CB C 61 40.082 40.082 41.357 -1.275 19632 6481 1 20 . 1 1 61 61 ASP H H 61 8.769 8.769 8.542 0.227 19632 6482 1 20 . 1 1 62 62 GLN N N 62 118.595 118.595 117.030 1.565 19632 6483 1 20 . 1 1 62 62 GLN HA H 62 4.779 4.779 4.822 -0.043 19632 6484 1 20 . 1 1 62 62 GLN CA C 62 54.066 54.066 54.170 -0.104 19632 6485 1 20 . 1 1 62 62 GLN CB C 62 30.309 30.309 29.826 0.483 19632 6486 1 20 . 1 1 62 62 GLN H H 62 7.467 7.467 7.835 -0.368 19632 6487 1 20 . 1 1 63 63 PRO HA H 63 4.662 4.662 4.336 0.326 19632 6488 1 20 . 1 1 63 63 PRO CB C 63 32.293 32.293 31.759 0.534 19632 6489 1 20 . 1 1 64 64 ASP N N 64 116.697 116.697 116.146 0.551 19632 6490 1 20 . 1 1 64 64 ASP HA H 64 4.662 4.662 4.542 0.120 19632 6491 1 20 . 1 1 64 64 ASP CA C 64 54.449 54.449 55.823 -1.374 19632 6492 1 20 . 1 1 64 64 ASP CB C 64 41.201 41.201 41.001 0.200 19632 6493 1 20 . 1 1 64 64 ASP H H 64 8.389 8.389 8.603 -0.214 19632 6494 1 20 . 1 1 65 65 LYS N N 65 119.781 119.781 119.457 0.324 19632 6495 1 20 . 1 1 65 65 LYS HA H 65 4.547 4.547 4.640 -0.093 19632 6496 1 20 . 1 1 65 65 LYS CA C 65 55.469 55.469 54.683 0.786 19632 6497 1 20 . 1 1 65 65 LYS CB C 65 34.796 34.796 34.684 0.112 19632 6498 1 20 . 1 1 65 65 LYS H H 65 7.592 7.592 7.747 -0.155 19632 6499 1 20 . 1 1 66 66 LEU N N 66 125.131 125.131 122.980 2.151 19632 6500 1 20 . 1 1 66 66 LEU HA H 66 4.708 4.708 4.661 0.047 19632 6501 1 20 . 1 1 66 66 LEU CA C 66 54.496 54.496 54.358 0.138 19632 6502 1 20 . 1 1 66 66 LEU CB C 66 44.010 44.010 43.007 1.003 19632 6503 1 20 . 1 1 66 66 LEU H H 66 8.300 8.300 8.402 -0.102 19632 6504 1 20 . 1 1 67 67 ILE N N 67 124.524 124.524 124.360 0.164 19632 6505 1 20 . 1 1 67 67 ILE HA H 67 4.447 4.447 4.350 0.097 19632 6506 1 20 . 1 1 67 67 ILE CA C 67 57.824 57.824 57.845 -0.021 19632 6507 1 20 . 1 1 67 67 ILE CB C 67 40.744 40.744 37.613 3.131 19632 6508 1 20 . 1 1 67 67 ILE H H 67 9.427 9.427 9.002 0.425 19632 6509 1 20 . 1 1 68 68 PRO HA H 68 4.649 4.649 4.410 0.239 19632 6510 1 20 . 1 1 68 68 PRO CB C 68 32.644 32.644 32.389 0.255 19632 6511 1 20 . 1 1 69 69 GLN N N 69 119.126 119.126 118.560 0.566 19632 6512 1 20 . 1 1 69 69 GLN HA H 69 3.730 3.730 3.903 -0.173 19632 6513 1 20 . 1 1 69 69 GLN CA C 69 59.447 59.447 59.353 0.094 19632 6514 1 20 . 1 1 69 69 GLN CB C 69 28.819 28.819 28.544 0.275 19632 6515 1 20 . 1 1 69 69 GLN H H 69 8.386 8.386 8.417 -0.031 19632 6516 1 20 . 1 1 70 70 TRP N N 70 112.076 112.076 114.967 -2.891 19632 6517 1 20 . 1 1 70 70 TRP HA H 70 4.525 4.525 4.595 -0.070 19632 6518 1 20 . 1 1 70 70 TRP CA C 70 58.197 58.197 57.677 0.520 19632 6519 1 20 . 1 1 70 70 TRP CB C 70 28.016 28.016 28.428 -0.412 19632 6520 1 20 . 1 1 70 70 TRP H H 70 6.972 6.972 7.716 -0.744 19632 6521 1 20 . 1 1 71 71 GLU N N 71 119.388 119.388 118.578 0.810 19632 6522 1 20 . 1 1 71 71 GLU HA H 71 4.249 4.249 4.433 -0.184 19632 6523 1 20 . 1 1 71 71 GLU CA C 71 56.654 56.654 56.605 0.049 19632 6524 1 20 . 1 1 71 71 GLU CB C 71 30.938 30.938 31.130 -0.192 19632 6525 1 20 . 1 1 71 71 GLU H H 71 7.386 7.386 7.162 0.224 19632 6526 1 20 . 1 1 72 72 ILE N N 72 115.759 115.759 118.331 -2.572 19632 6527 1 20 . 1 1 72 72 ILE HA H 72 3.324 3.324 3.521 -0.197 19632 6528 1 20 . 1 1 72 72 ILE CA C 72 64.205 64.205 63.726 0.479 19632 6529 1 20 . 1 1 72 72 ILE CB C 72 38.012 38.012 37.688 0.324 19632 6530 1 20 . 1 1 72 72 ILE H H 72 6.754 6.754 7.342 -0.588 19632 6531 1 20 . 1 1 73 73 PHE N N 73 115.942 115.942 117.803 -1.861 19632 6532 1 20 . 1 1 73 73 PHE HA H 73 4.248 4.248 4.419 -0.171 19632 6533 1 20 . 1 1 73 73 PHE CA C 73 56.514 56.514 56.187 0.327 19632 6534 1 20 . 1 1 73 73 PHE CB C 73 38.479 38.479 37.386 1.093 19632 6535 1 20 . 1 1 73 73 PHE H H 73 7.388 7.388 7.549 -0.161 19632 6536 1 20 . 1 1 74 74 SER N N 74 114.787 114.787 115.521 -0.734 19632 6537 1 20 . 1 1 74 74 SER HA H 74 4.358 4.358 4.459 -0.101 19632 6538 1 20 . 1 1 74 74 SER CA C 74 58.265 58.265 60.317 -2.052 19632 6539 1 20 . 1 1 74 74 SER CB C 74 63.783 63.783 64.021 -0.238 19632 6540 1 20 . 1 1 74 74 SER H H 74 7.203 7.203 7.756 -0.553 19632 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 64 3.149 1.455 2.815 19632 2 1 1 "Average Difference" HA 65 0.336 -0.035 0.337 19632 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19632 4 1 1 "Average Difference" CA 69 1.216 -0.110 1.220 19632 5 1 1 "Average Difference" CB 65 1.508 -0.939 1.189 19632 6 1 1 "Average Difference" HN 64 0.435 -0.097 0.427 19632 7 1 2 "Average Difference" N 64 3.179 1.394 2.879 19632 8 1 2 "Average Difference" HA 65 0.332 -0.056 0.329 19632 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19632 10 1 2 "Average Difference" CA 69 1.301 -0.202 1.295 19632 11 1 2 "Average Difference" CB 65 1.568 -1.067 1.158 19632 12 1 2 "Average Difference" HN 64 0.474 -0.108 0.465 19632 13 1 3 "Average Difference" N 64 3.197 1.482 2.854 19632 14 1 3 "Average Difference" HA 65 0.319 -0.045 0.319 19632 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19632 16 1 3 "Average Difference" CA 69 1.056 -0.155 1.052 19632 17 1 3 "Average Difference" CB 65 1.491 -0.947 1.161 19632 18 1 3 "Average Difference" HN 64 0.458 -0.123 0.445 19632 19 1 4 "Average Difference" N 64 3.386 1.672 2.968 19632 20 1 4 "Average Difference" HA 65 0.271 -0.036 0.270 19632 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19632 22 1 4 "Average Difference" CA 69 1.118 -0.120 1.120 19632 23 1 4 "Average Difference" CB 65 1.632 -1.061 1.250 19632 24 1 4 "Average Difference" HN 64 0.398 -0.082 0.392 19632 25 1 5 "Average Difference" N 64 3.199 1.469 2.864 19632 26 1 5 "Average Difference" HA 65 0.307 -0.036 0.307 19632 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19632 28 1 5 "Average Difference" CA 69 1.029 -0.230 1.011 19632 29 1 5 "Average Difference" CB 65 1.393 -0.900 1.072 19632 30 1 5 "Average Difference" HN 64 0.402 -0.078 0.398 19632 31 1 6 "Average Difference" N 64 3.333 1.270 3.106 19632 32 1 6 "Average Difference" HA 65 0.299 -0.088 0.288 19632 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19632 34 1 6 "Average Difference" CA 69 1.299 0.017 1.309 19632 35 1 6 "Average Difference" CB 65 1.549 -0.986 1.203 19632 36 1 6 "Average Difference" HN 64 0.430 -0.080 0.425 19632 37 1 7 "Average Difference" N 64 3.279 1.561 2.906 19632 38 1 7 "Average Difference" HA 65 0.333 -0.062 0.330 19632 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19632 40 1 7 "Average Difference" CA 69 1.235 -0.150 1.235 19632 41 1 7 "Average Difference" CB 65 1.648 -1.033 1.294 19632 42 1 7 "Average Difference" HN 64 0.491 -0.126 0.479 19632 43 1 8 "Average Difference" N 64 3.493 1.152 3.324 19632 44 1 8 "Average Difference" HA 65 0.324 -0.015 0.326 19632 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19632 46 1 8 "Average Difference" CA 69 1.241 -0.101 1.246 19632 47 1 8 "Average Difference" CB 65 1.476 -0.780 1.263 19632 48 1 8 "Average Difference" HN 64 0.506 -0.087 0.502 19632 49 1 9 "Average Difference" N 64 3.173 1.173 2.971 19632 50 1 9 "Average Difference" HA 65 0.335 -0.010 0.337 19632 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19632 52 1 9 "Average Difference" CA 69 1.224 -0.043 1.232 19632 53 1 9 "Average Difference" CB 65 1.609 -0.903 1.341 19632 54 1 9 "Average Difference" HN 64 0.450 -0.047 0.451 19632 55 1 10 "Average Difference" N 64 3.331 1.694 2.890 19632 56 1 10 "Average Difference" HA 65 0.317 -0.034 0.317 19632 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19632 58 1 10 "Average Difference" CA 69 0.973 -0.244 0.949 19632 59 1 10 "Average Difference" CB 65 1.478 -0.935 1.153 19632 60 1 10 "Average Difference" HN 64 0.412 -0.077 0.408 19632 61 1 11 "Average Difference" N 64 3.355 1.455 3.047 19632 62 1 11 "Average Difference" HA 65 0.396 0.032 0.398 19632 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19632 64 1 11 "Average Difference" CA 69 1.270 -0.242 1.256 19632 65 1 11 "Average Difference" CB 65 1.596 -0.866 1.351 19632 66 1 11 "Average Difference" HN 64 0.439 -0.093 0.432 19632 67 1 12 "Average Difference" N 64 3.288 1.970 2.653 19632 68 1 12 "Average Difference" HA 65 0.345 -0.015 0.347 19632 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19632 70 1 12 "Average Difference" CA 69 1.105 -0.166 1.101 19632 71 1 12 "Average Difference" CB 65 1.378 -0.775 1.148 19632 72 1 12 "Average Difference" HN 64 0.401 -0.084 0.395 19632 73 1 13 "Average Difference" N 64 3.270 1.466 2.946 19632 74 1 13 "Average Difference" HA 65 0.368 0.023 0.370 19632 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19632 76 1 13 "Average Difference" CA 69 1.219 -0.276 1.196 19632 77 1 13 "Average Difference" CB 65 1.527 -0.950 1.205 19632 78 1 13 "Average Difference" HN 64 0.489 -0.131 0.475 19632 79 1 14 "Average Difference" N 64 3.450 1.569 3.096 19632 80 1 14 "Average Difference" HA 65 0.354 -0.042 0.354 19632 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19632 82 1 14 "Average Difference" CA 69 1.155 -0.148 1.154 19632 83 1 14 "Average Difference" CB 65 1.613 -1.013 1.265 19632 84 1 14 "Average Difference" HN 64 0.442 -0.109 0.432 19632 85 1 15 "Average Difference" N 64 3.269 1.442 2.957 19632 86 1 15 "Average Difference" HA 65 0.313 -0.046 0.312 19632 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19632 88 1 15 "Average Difference" CA 69 1.076 -0.258 1.053 19632 89 1 15 "Average Difference" CB 65 1.521 -1.005 1.150 19632 90 1 15 "Average Difference" HN 64 0.506 -0.125 0.494 19632 91 1 16 "Average Difference" N 64 3.409 1.344 3.157 19632 92 1 16 "Average Difference" HA 65 0.362 -0.028 0.364 19632 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19632 94 1 16 "Average Difference" CA 69 1.310 -0.262 1.293 19632 95 1 16 "Average Difference" CB 65 1.544 -0.919 1.250 19632 96 1 16 "Average Difference" HN 64 0.415 -0.151 0.389 19632 97 1 17 "Average Difference" N 64 3.330 1.576 2.956 19632 98 1 17 "Average Difference" HA 65 0.327 0.009 0.330 19632 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19632 100 1 17 "Average Difference" CA 69 1.170 -0.262 1.149 19632 101 1 17 "Average Difference" CB 65 1.408 -0.920 1.075 19632 102 1 17 "Average Difference" HN 64 0.419 -0.100 0.410 19632 103 1 18 "Average Difference" N 64 3.352 1.559 2.990 19632 104 1 18 "Average Difference" HA 65 0.295 -0.015 0.297 19632 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19632 106 1 18 "Average Difference" CA 69 1.019 -0.170 1.012 19632 107 1 18 "Average Difference" CB 65 1.549 -0.975 1.213 19632 108 1 18 "Average Difference" HN 64 0.466 -0.062 0.465 19632 109 1 19 "Average Difference" N 64 3.409 1.638 3.013 19632 110 1 19 "Average Difference" HA 65 0.325 -0.048 0.324 19632 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19632 112 1 19 "Average Difference" CA 69 1.033 -0.086 1.037 19632 113 1 19 "Average Difference" CB 65 1.583 -0.977 1.256 19632 114 1 19 "Average Difference" HN 64 0.441 -0.077 0.438 19632 115 1 20 "Average Difference" N 64 3.280 1.566 2.905 19632 116 1 20 "Average Difference" HA 65 0.288 -0.019 0.290 19632 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19632 118 1 20 "Average Difference" CA 69 1.130 -0.211 1.118 19632 119 1 20 "Average Difference" CB 65 1.471 -0.847 1.212 19632 120 1 20 "Average Difference" HN 64 0.440 -0.076 0.437 19632 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 19632 _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 ALA HA H 2 4.290 4.290 4.523 -0.233 19632 2 1 . 1 1 2 2 ALA CA C 2 53.589 53.589 52.244 1.345 19632 3 1 . 1 1 2 2 ALA CB C 2 19.556 19.556 19.445 0.111 19632 4 1 . 1 1 5 5 ASP N N 5 116.992 116.992 121.197 -4.205 19632 5 1 . 1 1 5 5 ASP HA H 5 4.622 4.622 4.726 -0.104 19632 6 1 . 1 1 5 5 ASP CA C 5 54.508 54.508 53.888 0.620 19632 7 1 . 1 1 5 5 ASP CB C 5 41.375 41.375 41.703 -0.328 19632 8 1 . 1 1 5 5 ASP H H 5 8.372 8.372 8.368 0.004 19632 9 1 . 1 1 6 6 ALA N N 6 124.275 124.275 126.788 -2.513 19632 10 1 . 1 1 6 6 ALA HA H 6 4.582 4.582 4.581 0.001 19632 11 1 . 1 1 6 6 ALA CA C 6 48.068 48.068 50.527 -2.459 19632 12 1 . 1 1 6 6 ALA CB C 6 18.765 18.765 19.058 -0.293 19632 13 1 . 1 1 6 6 ALA H H 6 7.984 7.984 8.241 -0.257 19632 14 1 . 1 1 7 7 PRO HA H 7 4.486 4.486 4.567 -0.081 19632 15 1 . 1 1 7 7 PRO CA C 7 63.406 63.406 62.295 1.111 19632 16 1 . 1 1 7 7 PRO CB C 7 32.491 32.491 32.403 0.088 19632 17 1 . 1 1 8 8 SER N N 8 115.947 115.947 115.667 0.280 19632 18 1 . 1 1 8 8 SER HA H 8 4.483 4.483 4.390 0.093 19632 19 1 . 1 1 8 8 SER CA C 8 58.635 58.635 58.825 -0.190 19632 20 1 . 1 1 8 8 SER CB C 8 64.447 64.447 63.459 0.988 19632 21 1 . 1 1 8 8 SER H H 8 8.424 8.424 8.313 0.111 19632 22 1 . 1 1 9 9 GLY N N 9 109.902 109.902 111.470 -1.568 19632 23 1 . 1 1 9 9 GLY CA C 9 45.804 45.804 45.150 0.654 19632 24 1 . 1 1 9 9 GLY H H 9 8.352 8.352 8.362 -0.010 19632 25 1 . 1 1 10 10 GLU N N 10 119.364 119.364 120.555 -1.191 19632 26 1 . 1 1 10 10 GLU HA H 10 4.808 4.808 4.438 0.370 19632 27 1 . 1 1 10 10 GLU CA C 10 53.481 53.481 54.047 -0.567 19632 28 1 . 1 1 10 10 GLU CB C 10 30.956 30.956 29.533 1.423 19632 29 1 . 1 1 10 10 GLU H H 10 8.071 8.071 8.238 -0.167 19632 30 1 . 1 1 11 11 PRO HA H 11 5.012 5.012 4.900 0.112 19632 31 1 . 1 1 11 11 PRO CA C 11 63.350 63.350 62.575 0.775 19632 32 1 . 1 1 11 11 PRO CB C 11 34.176 34.176 32.054 2.122 19632 33 1 . 1 1 12 12 ASP N N 12 122.007 122.007 124.571 -2.564 19632 34 1 . 1 1 12 12 ASP HA H 12 5.030 5.030 4.783 0.247 19632 35 1 . 1 1 12 12 ASP CA C 12 53.249 53.249 53.234 0.015 19632 36 1 . 1 1 12 12 ASP CB C 12 45.006 45.006 43.739 1.267 19632 37 1 . 1 1 12 12 ASP H H 12 9.396 9.396 8.589 0.807 19632 38 1 . 1 1 13 13 VAL N N 13 120.517 120.517 122.648 -2.131 19632 39 1 . 1 1 13 13 VAL HA H 13 5.090 5.090 4.499 0.591 19632 40 1 . 1 1 13 13 VAL CA C 13 59.653 59.653 60.264 -0.611 19632 41 1 . 1 1 13 13 VAL CB C 13 35.347 35.347 33.551 1.796 19632 42 1 . 1 1 13 13 VAL H H 13 8.402 8.402 8.380 0.022 19632 43 1 . 1 1 14 14 THR N N 14 122.388 122.388 125.966 -3.578 19632 44 1 . 1 1 14 14 THR HA H 14 4.465 4.465 4.394 0.071 19632 45 1 . 1 1 14 14 THR CA C 14 61.591 61.591 62.199 -0.608 19632 46 1 . 1 1 14 14 THR CB C 14 71.537 71.537 68.760 2.777 19632 47 1 . 1 1 14 14 THR H H 14 8.397 8.397 8.799 -0.402 19632 48 1 . 1 1 15 15 ILE N N 15 125.929 125.929 128.677 -2.748 19632 49 1 . 1 1 15 15 ILE HA H 15 4.882 4.882 4.125 0.757 19632 50 1 . 1 1 15 15 ILE CA C 15 60.655 60.655 61.257 -0.602 19632 51 1 . 1 1 15 15 ILE CB C 15 40.004 40.004 37.570 2.434 19632 52 1 . 1 1 15 15 ILE H H 15 8.628 8.628 8.565 0.063 19632 53 1 . 1 1 16 16 ARG N N 16 125.332 125.332 128.428 -3.096 19632 54 1 . 1 1 16 16 ARG HA H 16 4.662 4.662 4.710 -0.048 19632 55 1 . 1 1 16 16 ARG CA C 16 54.731 54.731 53.417 1.313 19632 56 1 . 1 1 16 16 ARG CB C 16 33.731 33.731 33.108 0.623 19632 57 1 . 1 1 16 16 ARG H H 16 9.057 9.057 8.691 0.366 19632 58 1 . 1 1 17 17 GLN N N 17 121.044 121.044 119.493 1.551 19632 59 1 . 1 1 17 17 GLN HA H 17 4.803 4.803 4.710 0.093 19632 60 1 . 1 1 17 17 GLN CA C 17 55.241 55.241 55.358 -0.117 19632 61 1 . 1 1 17 17 GLN CB C 17 30.461 30.461 31.020 -0.559 19632 62 1 . 1 1 17 17 GLN H H 17 8.508 8.508 8.550 -0.042 19632 63 1 . 1 1 18 18 GLU N N 18 125.409 125.409 125.453 -0.044 19632 64 1 . 1 1 18 18 GLU HA H 18 4.529 4.529 4.528 0.001 19632 65 1 . 1 1 18 18 GLU CA C 18 55.018 55.018 54.828 0.190 19632 66 1 . 1 1 18 18 GLU CB C 18 31.654 31.654 29.337 2.317 19632 67 1 . 1 1 18 18 GLU H H 18 8.394 8.394 8.588 -0.194 19632 68 1 . 1 1 19 19 GLY N N 19 114.286 114.286 114.451 -0.165 19632 69 1 . 1 1 19 19 GLY CA C 19 47.887 47.887 46.216 1.671 19632 70 1 . 1 1 19 19 GLY H H 19 8.804 8.804 8.265 0.539 19632 71 1 . 1 1 20 20 ASP N N 20 124.137 124.137 124.593 -0.456 19632 72 1 . 1 1 20 20 ASP HA H 20 4.536 4.536 4.727 -0.191 19632 73 1 . 1 1 20 20 ASP CA C 20 54.019 54.019 54.330 -0.311 19632 74 1 . 1 1 20 20 ASP CB C 20 41.053 41.053 41.224 -0.171 19632 75 1 . 1 1 20 20 ASP H H 20 8.519 8.519 8.477 0.042 19632 76 1 . 1 1 21 21 LYS N N 21 116.711 116.711 118.880 -2.169 19632 77 1 . 1 1 21 21 LYS HA H 21 4.648 4.648 4.985 -0.337 19632 78 1 . 1 1 21 21 LYS CA C 21 55.468 55.468 54.753 0.714 19632 79 1 . 1 1 21 21 LYS CB C 21 34.941 34.941 34.026 0.915 19632 80 1 . 1 1 21 21 LYS H H 21 7.696 7.696 7.445 0.251 19632 81 1 . 1 1 22 22 THR N N 22 118.655 118.655 122.601 -3.946 19632 82 1 . 1 1 22 22 THR HA H 22 4.541 4.541 4.555 -0.014 19632 83 1 . 1 1 22 22 THR CA C 22 62.936 62.936 63.145 -0.209 19632 84 1 . 1 1 22 22 THR CB C 22 70.275 70.275 68.771 1.504 19632 85 1 . 1 1 22 22 THR H H 22 7.994 7.994 8.601 -0.607 19632 86 1 . 1 1 23 23 ILE N N 23 126.114 126.114 129.111 -2.997 19632 87 1 . 1 1 23 23 ILE HA H 23 4.699 4.699 4.085 0.614 19632 88 1 . 1 1 23 23 ILE CA C 23 59.119 59.119 60.347 -1.228 19632 89 1 . 1 1 23 23 ILE CB C 23 40.729 40.729 37.456 3.273 19632 90 1 . 1 1 23 23 ILE H H 23 8.957 8.957 8.718 0.239 19632 91 1 . 1 1 24 24 GLN N N 24 123.560 123.560 127.945 -4.385 19632 92 1 . 1 1 24 24 GLN HA H 24 5.121 5.121 4.742 0.379 19632 93 1 . 1 1 24 24 GLN CA C 24 53.653 53.653 54.271 -0.618 19632 94 1 . 1 1 24 24 GLN CB C 24 30.573 30.573 29.465 1.108 19632 95 1 . 1 1 24 24 GLN H H 24 8.932 8.932 8.859 0.073 19632 96 1 . 1 1 25 25 GLU N N 25 122.651 122.651 125.077 -2.426 19632 97 1 . 1 1 25 25 GLU HA H 25 4.462 4.462 4.470 -0.008 19632 98 1 . 1 1 25 25 GLU CA C 25 55.548 55.548 55.452 0.096 19632 99 1 . 1 1 25 25 GLU CB C 25 32.644 32.644 30.268 2.376 19632 100 1 . 1 1 25 25 GLU H H 25 8.987 8.987 8.894 0.093 19632 101 1 . 1 1 26 26 TYR N N 26 124.044 124.044 126.741 -2.697 19632 102 1 . 1 1 26 26 TYR HA H 26 4.756 4.756 4.481 0.275 19632 103 1 . 1 1 26 26 TYR CA C 26 58.317 58.317 58.724 -0.407 19632 104 1 . 1 1 26 26 TYR CB C 26 38.543 38.543 37.499 1.044 19632 105 1 . 1 1 26 26 TYR H H 26 8.930 8.930 9.057 -0.127 19632 106 1 . 1 1 27 27 ARG N N 27 119.739 119.739 124.202 -4.463 19632 107 1 . 1 1 27 27 ARG HA H 27 5.657 5.657 5.275 0.382 19632 108 1 . 1 1 27 27 ARG CA C 27 53.860 53.860 54.703 -0.843 19632 109 1 . 1 1 27 27 ARG CB C 27 36.310 36.310 33.199 3.111 19632 110 1 . 1 1 27 27 ARG H H 27 8.496 8.496 8.709 -0.213 19632 111 1 . 1 1 28 28 VAL N N 28 115.698 115.698 123.131 -7.433 19632 112 1 . 1 1 28 28 VAL HA H 28 4.526 4.526 4.314 0.212 19632 113 1 . 1 1 28 28 VAL CA C 28 60.002 60.002 63.502 -3.500 19632 114 1 . 1 1 28 28 VAL CB C 28 34.889 34.889 33.244 1.645 19632 115 1 . 1 1 28 28 VAL H H 28 8.716 8.716 8.429 0.287 19632 116 1 . 1 1 29 29 ASN N N 29 128.827 128.827 118.292 10.535 19632 117 1 . 1 1 29 29 ASN HA H 29 4.309 4.309 4.816 -0.507 19632 118 1 . 1 1 29 29 ASN CA C 29 54.385 54.385 53.571 0.814 19632 119 1 . 1 1 29 29 ASN CB C 29 38.270 38.270 38.224 0.046 19632 120 1 . 1 1 29 29 ASN H H 29 9.605 9.605 8.243 1.362 19632 121 1 . 1 1 30 30 GLY N N 30 103.111 103.111 108.314 -5.203 19632 122 1 . 1 1 30 30 GLY CA C 30 45.901 45.901 45.514 0.387 19632 123 1 . 1 1 30 30 GLY H H 30 8.784 8.784 8.537 0.247 19632 124 1 . 1 1 31 31 PHE N N 31 123.693 123.693 121.646 2.048 19632 125 1 . 1 1 31 31 PHE HA H 31 4.529 4.529 4.774 -0.244 19632 126 1 . 1 1 31 31 PHE CA C 31 57.924 57.924 56.782 1.142 19632 127 1 . 1 1 31 31 PHE CB C 31 40.207 40.207 40.925 -0.718 19632 128 1 . 1 1 31 31 PHE H H 31 8.191 8.191 7.759 0.432 19632 129 1 . 1 1 32 32 LEU N N 32 130.348 130.348 129.564 0.784 19632 130 1 . 1 1 32 32 LEU HA H 32 4.427 4.427 4.419 0.008 19632 131 1 . 1 1 32 32 LEU CA C 32 55.517 55.517 54.409 1.108 19632 132 1 . 1 1 32 32 LEU CB C 32 42.468 42.468 41.783 0.685 19632 133 1 . 1 1 32 32 LEU H H 32 8.171 8.171 8.307 -0.136 19632 134 1 . 1 1 33 33 TYR N N 33 124.923 124.923 121.311 3.612 19632 135 1 . 1 1 33 33 TYR HA H 33 4.557 4.557 4.749 -0.192 19632 136 1 . 1 1 33 33 TYR CA C 33 56.404 56.404 56.398 0.006 19632 137 1 . 1 1 33 33 TYR CB C 33 39.131 39.131 40.054 -0.923 19632 138 1 . 1 1 33 33 TYR H H 33 8.415 8.415 8.592 -0.177 19632 139 1 . 1 1 34 34 ALA N N 34 120.211 120.211 120.844 -0.633 19632 140 1 . 1 1 34 34 ALA HA H 34 5.528 5.528 5.353 0.175 19632 141 1 . 1 1 34 34 ALA CA C 34 52.196 52.196 51.479 0.717 19632 142 1 . 1 1 34 34 ALA CB C 34 22.633 22.633 22.064 0.569 19632 143 1 . 1 1 34 34 ALA H H 34 7.399 7.399 7.165 0.234 19632 144 1 . 1 1 35 35 ILE N N 35 118.197 118.197 122.205 -4.008 19632 145 1 . 1 1 35 35 ILE HA H 35 5.157 5.157 4.974 0.183 19632 146 1 . 1 1 35 35 ILE CA C 35 60.000 60.000 60.159 -0.159 19632 147 1 . 1 1 35 35 ILE CB C 35 43.639 43.639 41.529 2.110 19632 148 1 . 1 1 35 35 ILE H H 35 9.224 9.224 8.812 0.412 19632 149 1 . 1 1 36 36 LYS N N 36 127.872 127.872 129.043 -1.171 19632 150 1 . 1 1 36 36 LYS HA H 36 4.204 4.204 4.672 -0.468 19632 151 1 . 1 1 36 36 LYS CA C 36 55.245 55.245 54.534 0.711 19632 152 1 . 1 1 36 36 LYS CB C 36 36.092 36.092 33.969 2.123 19632 153 1 . 1 1 36 36 LYS H H 36 9.708 9.708 8.912 0.796 19632 154 1 . 1 1 37 37 VAL N N 37 128.005 128.005 127.879 0.126 19632 155 1 . 1 1 37 37 VAL HA H 37 4.043 4.043 4.430 -0.387 19632 156 1 . 1 1 37 37 VAL CA C 37 61.840 61.840 60.309 1.531 19632 157 1 . 1 1 37 37 VAL CB C 37 32.523 32.523 33.286 -0.763 19632 158 1 . 1 1 37 37 VAL H H 37 8.551 8.551 7.865 0.686 19632 159 1 . 1 1 38 38 VAL N N 38 125.034 125.034 128.159 -3.125 19632 160 1 . 1 1 38 38 VAL HA H 38 4.277 4.277 4.392 -0.115 19632 161 1 . 1 1 38 38 VAL CA C 38 59.287 59.287 58.308 0.979 19632 162 1 . 1 1 38 38 VAL CB C 38 32.568 32.568 31.261 1.307 19632 163 1 . 1 1 38 38 VAL H H 38 8.668 8.668 8.902 -0.234 19632 164 1 . 1 1 39 39 PRO HA H 39 4.565 4.565 4.941 -0.376 19632 165 1 . 1 1 39 39 PRO CA C 39 62.202 62.202 61.882 0.320 19632 166 1 . 1 1 39 39 PRO CB C 39 32.887 32.887 32.693 0.194 19632 167 1 . 1 1 40 40 LYS N N 40 121.622 121.622 121.737 -0.115 19632 168 1 . 1 1 40 40 LYS HA H 40 3.877 3.877 3.946 -0.069 19632 169 1 . 1 1 40 40 LYS CA C 40 58.950 58.950 58.180 0.770 19632 170 1 . 1 1 40 40 LYS CB C 40 32.988 32.988 32.418 0.570 19632 171 1 . 1 1 40 40 LYS H H 40 8.275 8.275 8.572 -0.297 19632 172 1 . 1 1 41 41 HIS N N 41 114.012 114.012 117.238 -3.226 19632 173 1 . 1 1 41 41 HIS HA H 41 4.795 4.795 4.687 0.108 19632 174 1 . 1 1 41 41 HIS CA C 41 54.904 54.904 55.498 -0.594 19632 175 1 . 1 1 41 41 HIS CB C 41 30.835 30.835 29.220 1.616 19632 176 1 . 1 1 41 41 HIS H H 41 8.040 8.040 7.965 0.075 19632 177 1 . 1 1 42 42 GLY N N 42 109.068 109.068 110.295 -1.227 19632 178 1 . 1 1 42 42 GLY CA C 42 44.482 44.482 44.939 -0.457 19632 179 1 . 1 1 42 42 GLY H H 42 7.966 7.966 8.334 -0.368 19632 180 1 . 1 1 43 43 LYS N N 43 120.287 120.287 119.335 0.952 19632 181 1 . 1 1 43 43 LYS HA H 43 4.680 4.680 4.221 0.459 19632 182 1 . 1 1 43 43 LYS CA C 43 54.392 54.392 55.764 -1.372 19632 183 1 . 1 1 43 43 LYS CB C 43 33.511 33.511 32.099 1.412 19632 184 1 . 1 1 43 43 LYS H H 43 8.209 8.209 7.898 0.311 19632 185 1 . 1 1 44 44 PRO HA H 44 5.013 5.013 4.862 0.151 19632 186 1 . 1 1 44 44 PRO CA C 44 62.744 62.744 63.058 -0.314 19632 187 1 . 1 1 44 44 PRO CB C 44 33.747 33.747 32.133 1.614 19632 188 1 . 1 1 45 45 TYR N N 45 115.140 115.140 119.008 -3.868 19632 189 1 . 1 1 45 45 TYR HA H 45 4.897 4.897 4.801 0.096 19632 190 1 . 1 1 45 45 TYR CA C 45 56.387 56.387 55.459 0.928 19632 191 1 . 1 1 45 45 TYR CB C 45 40.574 40.574 40.271 0.303 19632 192 1 . 1 1 45 45 TYR H H 45 8.176 8.176 8.221 -0.045 19632 193 1 . 1 1 46 46 PHE N N 46 115.001 115.001 118.958 -3.957 19632 194 1 . 1 1 46 46 PHE HA H 46 5.662 5.662 4.974 0.688 19632 195 1 . 1 1 46 46 PHE CA C 46 56.395 56.395 56.756 -0.361 19632 196 1 . 1 1 46 46 PHE CB C 46 43.736 43.736 41.264 2.472 19632 197 1 . 1 1 46 46 PHE H H 46 8.607 8.607 9.100 -0.493 19632 198 1 . 1 1 47 47 LEU N N 47 121.747 121.747 125.288 -3.541 19632 199 1 . 1 1 47 47 LEU HA H 47 5.339 5.339 5.066 0.273 19632 200 1 . 1 1 47 47 LEU CA C 47 54.116 54.116 53.976 0.140 19632 201 1 . 1 1 47 47 LEU CB C 47 44.357 44.357 43.371 0.986 19632 202 1 . 1 1 47 47 LEU H H 47 9.631 9.631 9.156 0.475 19632 203 1 . 1 1 48 48 VAL N N 48 122.850 122.850 126.361 -3.511 19632 204 1 . 1 1 48 48 VAL HA H 48 4.476 4.476 4.480 -0.004 19632 205 1 . 1 1 48 48 VAL CA C 48 61.559 61.559 61.654 -0.095 19632 206 1 . 1 1 48 48 VAL CB C 48 35.232 35.232 33.011 2.221 19632 207 1 . 1 1 48 48 VAL H H 48 9.334 9.334 9.307 0.027 19632 208 1 . 1 1 49 49 ARG N N 49 129.488 129.488 128.176 1.312 19632 209 1 . 1 1 49 49 ARG HA H 49 3.045 3.045 3.767 -0.722 19632 210 1 . 1 1 49 49 ARG CA C 49 56.623 56.623 54.810 1.813 19632 211 1 . 1 1 49 49 ARG CB C 49 31.326 31.326 29.892 1.434 19632 212 1 . 1 1 49 49 ARG H H 49 8.451 8.451 8.559 -0.108 19632 213 1 . 1 1 50 50 ALA N N 50 131.016 131.016 130.032 0.984 19632 214 1 . 1 1 50 50 ALA HA H 50 4.418 4.418 4.313 0.105 19632 215 1 . 1 1 50 50 ALA CA C 50 51.502 51.502 51.421 0.081 19632 216 1 . 1 1 50 50 ALA CB C 50 20.364 20.364 19.910 0.454 19632 217 1 . 1 1 50 50 ALA H H 50 8.524 8.524 8.061 0.463 19632 218 1 . 1 1 51 51 ASP N N 51 112.516 112.516 119.766 -7.250 19632 219 1 . 1 1 51 51 ASP HA H 51 4.413 4.413 4.419 -0.007 19632 220 1 . 1 1 51 51 ASP CA C 51 54.301 54.301 54.774 -0.473 19632 221 1 . 1 1 51 51 ASP CB C 51 41.710 41.710 41.121 0.589 19632 222 1 . 1 1 51 51 ASP H H 51 8.597 8.597 8.347 0.250 19632 223 1 . 1 1 52 52 GLY N N 52 106.147 106.147 110.270 -4.123 19632 224 1 . 1 1 52 52 GLY CA C 52 45.499 45.499 44.937 0.562 19632 225 1 . 1 1 52 52 GLY H H 52 8.378 8.378 8.372 0.006 19632 226 1 . 1 1 53 53 SER N N 53 115.000 115.000 115.868 -0.868 19632 227 1 . 1 1 53 53 SER HA H 53 4.439 4.439 4.243 0.196 19632 228 1 . 1 1 53 53 SER CA C 53 60.282 60.282 58.810 1.472 19632 229 1 . 1 1 53 53 SER CB C 53 64.175 64.175 62.675 1.500 19632 230 1 . 1 1 53 53 SER H H 53 8.677 8.677 8.346 0.331 19632 231 1 . 1 1 54 54 ASP N N 54 119.220 119.220 121.262 -2.042 19632 232 1 . 1 1 54 54 ASP HA H 54 4.595 4.595 4.500 0.095 19632 233 1 . 1 1 54 54 ASP CA C 54 55.689 55.689 55.166 0.523 19632 234 1 . 1 1 54 54 ASP CB C 54 41.326 41.326 41.199 0.127 19632 235 1 . 1 1 54 54 ASP H H 54 8.364 8.364 8.070 0.294 19632 236 1 . 1 1 55 55 GLY N N 55 107.460 107.460 106.665 0.795 19632 237 1 . 1 1 55 55 GLY CA C 55 47.210 47.210 44.932 2.278 19632 238 1 . 1 1 55 55 GLY H H 55 7.801 7.801 8.300 -0.499 19632 239 1 . 1 1 56 56 ASN N N 56 116.076 116.076 118.107 -2.031 19632 240 1 . 1 1 56 56 ASN HA H 56 4.997 4.997 5.187 -0.190 19632 241 1 . 1 1 56 56 ASN CA C 56 53.235 53.235 52.567 0.668 19632 242 1 . 1 1 56 56 ASN CB C 56 41.540 41.540 40.675 0.865 19632 243 1 . 1 1 56 56 ASN H H 56 7.919 7.919 7.786 0.133 19632 244 1 . 1 1 57 57 PHE N N 57 118.405 118.405 120.248 -1.843 19632 245 1 . 1 1 57 57 PHE HA H 57 5.043 5.043 5.249 -0.206 19632 246 1 . 1 1 57 57 PHE CA C 57 56.786 56.786 56.661 0.125 19632 247 1 . 1 1 57 57 PHE CB C 57 44.374 44.374 43.495 0.879 19632 248 1 . 1 1 57 57 PHE H H 57 9.203 9.203 8.400 0.803 19632 249 1 . 1 1 58 58 ILE N N 58 118.503 118.503 120.473 -1.970 19632 250 1 . 1 1 58 58 ILE HA H 58 4.507 4.507 4.614 -0.107 19632 251 1 . 1 1 58 58 ILE CA C 58 60.493 60.493 58.799 1.694 19632 252 1 . 1 1 58 58 ILE CB C 58 42.447 42.447 39.385 3.062 19632 253 1 . 1 1 58 58 ILE H H 58 9.222 9.222 9.232 -0.010 19632 254 1 . 1 1 59 59 ARG N N 59 126.283 126.283 127.410 -1.127 19632 255 1 . 1 1 59 59 ARG HA H 59 5.111 5.111 5.209 -0.098 19632 256 1 . 1 1 59 59 ARG CA C 59 55.839 55.839 55.741 0.098 19632 257 1 . 1 1 59 59 ARG CB C 59 32.157 32.157 31.706 0.451 19632 258 1 . 1 1 59 59 ARG H H 59 9.298 9.298 8.649 0.649 19632 259 1 . 1 1 60 60 SER N N 60 119.913 119.913 121.466 -1.553 19632 260 1 . 1 1 60 60 SER HA H 60 3.887 3.887 4.295 -0.408 19632 261 1 . 1 1 60 60 SER CA C 60 62.373 62.373 61.170 1.203 19632 262 1 . 1 1 60 60 SER CB C 60 62.777 62.777 63.298 -0.521 19632 263 1 . 1 1 60 60 SER H H 60 9.698 9.698 9.090 0.608 19632 264 1 . 1 1 61 61 ASP N N 61 117.504 117.504 120.633 -3.129 19632 265 1 . 1 1 61 61 ASP HA H 61 4.764 4.764 4.538 0.226 19632 266 1 . 1 1 61 61 ASP CA C 61 53.789 53.789 56.117 -2.328 19632 267 1 . 1 1 61 61 ASP CB C 61 40.082 40.082 41.163 -1.081 19632 268 1 . 1 1 61 61 ASP H H 61 8.769 8.769 8.631 0.138 19632 269 1 . 1 1 62 62 GLN N N 62 118.595 118.595 116.744 1.851 19632 270 1 . 1 1 62 62 GLN HA H 62 4.779 4.779 4.764 0.015 19632 271 1 . 1 1 62 62 GLN CA C 62 54.066 54.066 53.554 0.512 19632 272 1 . 1 1 62 62 GLN CB C 62 30.309 30.309 29.701 0.608 19632 273 1 . 1 1 62 62 GLN H H 62 7.467 7.467 7.700 -0.233 19632 274 1 . 1 1 63 63 PRO HA H 63 4.662 4.662 4.583 0.079 19632 275 1 . 1 1 63 63 PRO CB C 63 32.293 32.293 31.954 0.339 19632 276 1 . 1 1 64 64 ASP N N 64 116.697 116.697 117.563 -0.866 19632 277 1 . 1 1 64 64 ASP HA H 64 4.662 4.662 4.601 0.060 19632 278 1 . 1 1 64 64 ASP CA C 64 54.449 54.449 54.505 -0.056 19632 279 1 . 1 1 64 64 ASP CB C 64 41.201 41.201 40.985 0.216 19632 280 1 . 1 1 64 64 ASP H H 64 8.389 8.389 8.458 -0.069 19632 281 1 . 1 1 65 65 LYS N N 65 119.781 119.781 120.000 -0.219 19632 282 1 . 1 1 65 65 LYS HA H 65 4.547 4.547 4.538 0.009 19632 283 1 . 1 1 65 65 LYS CA C 65 55.469 55.469 55.190 0.279 19632 284 1 . 1 1 65 65 LYS CB C 65 34.796 34.796 34.093 0.703 19632 285 1 . 1 1 65 65 LYS H H 65 7.592 7.592 7.499 0.093 19632 286 1 . 1 1 66 66 LEU N N 66 125.131 125.131 124.432 0.699 19632 287 1 . 1 1 66 66 LEU HA H 66 4.708 4.708 4.467 0.240 19632 288 1 . 1 1 66 66 LEU CA C 66 54.496 54.496 54.406 0.090 19632 289 1 . 1 1 66 66 LEU CB C 66 44.010 44.010 42.767 1.244 19632 290 1 . 1 1 66 66 LEU H H 66 8.300 8.300 8.417 -0.117 19632 291 1 . 1 1 67 67 ILE N N 67 124.524 124.524 125.379 -0.855 19632 292 1 . 1 1 67 67 ILE HA H 67 4.447 4.447 4.361 0.086 19632 293 1 . 1 1 67 67 ILE CA C 67 57.824 57.824 57.535 0.289 19632 294 1 . 1 1 67 67 ILE CB C 67 40.744 40.744 37.684 3.060 19632 295 1 . 1 1 67 67 ILE H H 67 9.427 9.427 8.895 0.532 19632 296 1 . 1 1 68 68 PRO HA H 68 4.649 4.649 4.410 0.239 19632 297 1 . 1 1 68 68 PRO CB C 68 32.644 32.644 32.080 0.564 19632 298 1 . 1 1 69 69 GLN N N 69 119.126 119.126 118.430 0.696 19632 299 1 . 1 1 69 69 GLN HA H 69 3.730 3.730 4.090 -0.360 19632 300 1 . 1 1 69 69 GLN CA C 69 59.447 59.447 58.624 0.823 19632 301 1 . 1 1 69 69 GLN CB C 69 28.819 28.819 28.773 0.046 19632 302 1 . 1 1 69 69 GLN H H 69 8.386 8.386 8.409 -0.023 19632 303 1 . 1 1 70 70 TRP N N 70 112.076 112.076 115.367 -3.291 19632 304 1 . 1 1 70 70 TRP HA H 70 4.525 4.525 4.564 -0.039 19632 305 1 . 1 1 70 70 TRP CA C 70 58.197 58.197 57.542 0.655 19632 306 1 . 1 1 70 70 TRP CB C 70 28.016 28.016 28.723 -0.707 19632 307 1 . 1 1 70 70 TRP H H 70 6.972 6.972 7.570 -0.598 19632 308 1 . 1 1 71 71 GLU N N 71 119.388 119.388 119.271 0.117 19632 309 1 . 1 1 71 71 GLU HA H 71 4.249 4.249 4.268 -0.019 19632 310 1 . 1 1 71 71 GLU CA C 71 56.654 56.654 57.023 -0.369 19632 311 1 . 1 1 71 71 GLU CB C 71 30.938 30.938 30.201 0.737 19632 312 1 . 1 1 71 71 GLU H H 71 7.386 7.386 7.148 0.238 19632 313 1 . 1 1 72 72 ILE N N 72 115.759 115.759 116.455 -0.696 19632 314 1 . 1 1 72 72 ILE HA H 72 3.324 3.324 3.730 -0.406 19632 315 1 . 1 1 72 72 ILE CA C 72 64.205 64.205 63.647 0.559 19632 316 1 . 1 1 72 72 ILE CB C 72 38.012 38.012 37.755 0.257 19632 317 1 . 1 1 72 72 ILE H H 72 6.754 6.754 7.296 -0.542 19632 318 1 . 1 1 73 73 PHE N N 73 115.942 115.942 116.509 -0.567 19632 319 1 . 1 1 73 73 PHE HA H 73 4.248 4.248 4.214 0.034 19632 320 1 . 1 1 73 73 PHE CA C 73 56.514 56.514 55.994 0.520 19632 321 1 . 1 1 73 73 PHE CB C 73 38.479 38.479 37.952 0.528 19632 322 1 . 1 1 73 73 PHE H H 73 7.388 7.388 7.388 0.000 19632 323 1 . 1 1 74 74 SER N N 74 114.787 114.787 116.044 -1.257 19632 324 1 . 1 1 74 74 SER HA H 74 4.358 4.358 4.303 0.055 19632 325 1 . 1 1 74 74 SER CA C 74 58.265 58.265 59.927 -1.662 19632 326 1 . 1 1 74 74 SER CB C 74 63.783 63.783 63.432 0.351 19632 327 1 . 1 1 74 74 SER H H 74 7.203 7.203 7.602 -0.399 19632 stop_ save_