data_25443 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25443 _Entry.PDB_ID 2MY3 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 25443 _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 4.286 4.286 4.904 -0.618 25443 2 1 1 . 1 1 2 2 ALA C C 2 177.853 177.853 176.929 0.924 25443 3 1 1 . 1 1 2 2 ALA CA C 2 52.661 52.661 51.951 0.710 25443 4 1 1 . 1 1 2 2 ALA CB C 2 19.308 19.308 20.370 -1.062 25443 5 1 1 . 1 1 3 3 MET N N 3 119.404 119.404 121.407 -2.003 25443 6 1 1 . 1 1 3 3 MET HA H 3 4.435 4.435 4.560 -0.125 25443 7 1 1 . 1 1 3 3 MET C C 3 176.731 176.731 176.573 0.158 25443 8 1 1 . 1 1 3 3 MET CA C 3 55.503 55.503 55.432 0.071 25443 9 1 1 . 1 1 3 3 MET CB C 3 32.795 32.795 33.421 -0.626 25443 10 1 1 . 1 1 3 3 MET H H 3 8.530 8.530 9.223 -0.693 25443 11 1 1 . 1 1 4 4 GLY N N 4 109.968 109.968 108.550 1.418 25443 12 1 1 . 1 1 4 4 GLY C C 4 174.057 174.057 175.072 -1.015 25443 13 1 1 . 1 1 4 4 GLY CA C 4 45.363 45.363 44.994 0.369 25443 14 1 1 . 1 1 4 4 GLY H H 4 8.414 8.414 8.154 0.260 25443 15 1 1 . 1 1 5 5 ASN N N 5 118.659 118.659 118.000 0.659 25443 16 1 1 . 1 1 5 5 ASN HA H 5 4.606 4.606 4.520 0.086 25443 17 1 1 . 1 1 5 5 ASN C C 5 175.443 175.443 176.503 -1.060 25443 18 1 1 . 1 1 5 5 ASN CA C 5 53.530 53.530 54.398 -0.868 25443 19 1 1 . 1 1 5 5 ASN CB C 5 38.876 38.876 38.381 0.495 25443 20 1 1 . 1 1 5 5 ASN H H 5 8.326 8.326 8.802 -0.476 25443 21 1 1 . 1 1 6 6 GLU N N 6 120.909 120.909 117.097 3.812 25443 22 1 1 . 1 1 6 6 GLU HA H 6 4.097 4.097 4.090 0.007 25443 23 1 1 . 1 1 6 6 GLU C C 6 176.261 176.261 176.340 -0.079 25443 24 1 1 . 1 1 6 6 GLU CA C 6 57.171 57.171 56.733 0.438 25443 25 1 1 . 1 1 6 6 GLU CB C 6 29.715 29.715 29.617 0.098 25443 26 1 1 . 1 1 6 6 GLU H H 6 8.633 8.633 8.436 0.197 25443 27 1 1 . 1 1 7 7 TYR N N 7 120.283 120.283 120.364 -0.081 25443 28 1 1 . 1 1 7 7 TYR HA H 7 4.440 4.440 4.516 -0.076 25443 29 1 1 . 1 1 7 7 TYR C C 7 175.789 175.789 175.053 0.736 25443 30 1 1 . 1 1 7 7 TYR CA C 7 58.061 58.061 56.835 1.226 25443 31 1 1 . 1 1 7 7 TYR CB C 7 38.193 38.193 38.511 -0.318 25443 32 1 1 . 1 1 7 7 TYR H H 7 8.069 8.069 7.765 0.304 25443 33 1 1 . 1 1 8 8 LYS N N 8 121.780 121.780 127.638 -5.858 25443 34 1 1 . 1 1 8 8 LYS HA H 8 4.107 4.107 4.181 -0.074 25443 35 1 1 . 1 1 8 8 LYS C C 8 175.970 175.970 176.466 -0.496 25443 36 1 1 . 1 1 8 8 LYS CA C 8 56.550 56.550 56.842 -0.292 25443 37 1 1 . 1 1 8 8 LYS CB C 8 33.141 33.141 31.168 1.973 25443 38 1 1 . 1 1 8 8 LYS H H 8 7.868 7.868 8.823 -0.955 25443 39 1 1 . 1 1 9 9 ASP N N 9 119.825 119.825 121.884 -2.059 25443 40 1 1 . 1 1 9 9 ASP HA H 9 4.577 4.577 4.535 0.042 25443 41 1 1 . 1 1 9 9 ASP C C 9 175.979 175.979 176.058 -0.079 25443 42 1 1 . 1 1 9 9 ASP CA C 9 54.608 54.608 55.667 -1.059 25443 43 1 1 . 1 1 9 9 ASP CB C 9 41.455 41.455 41.224 0.231 25443 44 1 1 . 1 1 9 9 ASP H H 9 8.164 8.164 8.218 -0.054 25443 45 1 1 . 1 1 10 10 ASN N N 10 119.410 119.410 115.754 3.656 25443 46 1 1 . 1 1 10 10 ASN HA H 10 4.935 4.935 4.619 0.316 25443 47 1 1 . 1 1 10 10 ASN C C 10 174.654 174.654 174.156 0.498 25443 48 1 1 . 1 1 10 10 ASN CA C 10 52.792 52.792 53.028 -0.236 25443 49 1 1 . 1 1 10 10 ASN CB C 10 38.554 38.554 37.474 1.080 25443 50 1 1 . 1 1 10 10 ASN H H 10 8.284 8.284 8.341 -0.057 25443 51 1 1 . 1 1 11 11 ALA N N 11 122.716 122.716 121.363 1.353 25443 52 1 1 . 1 1 11 11 ALA HA H 11 4.521 4.521 4.587 -0.066 25443 53 1 1 . 1 1 11 11 ALA CA C 11 53.148 53.148 51.688 1.460 25443 54 1 1 . 1 1 11 11 ALA CB C 11 19.223 19.223 20.377 -1.154 25443 55 1 1 . 1 1 11 11 ALA H H 11 8.260 8.260 7.315 0.945 25443 56 1 1 . 1 1 12 12 TYR HA H 12 4.943 4.943 4.676 0.267 25443 57 1 1 . 1 1 12 12 TYR C C 12 177.075 177.075 172.858 4.217 25443 58 1 1 . 1 1 12 12 TYR CA C 12 57.314 57.314 55.808 1.506 25443 59 1 1 . 1 1 12 12 TYR CB C 12 42.614 42.614 40.045 2.569 25443 60 1 1 . 1 1 13 13 ILE N N 13 114.211 114.211 115.340 -1.129 25443 61 1 1 . 1 1 13 13 ILE HA H 13 4.981 4.981 5.063 -0.082 25443 62 1 1 . 1 1 13 13 ILE C C 13 174.500 174.500 174.637 -0.137 25443 63 1 1 . 1 1 13 13 ILE CA C 13 60.380 60.380 59.280 1.100 25443 64 1 1 . 1 1 13 13 ILE CB C 13 39.792 39.792 40.710 -0.918 25443 65 1 1 . 1 1 13 13 ILE H H 13 9.358 9.358 8.191 1.167 25443 66 1 1 . 1 1 14 14 TYR N N 14 124.891 124.891 127.124 -2.233 25443 67 1 1 . 1 1 14 14 TYR HA H 14 4.579 4.579 5.247 -0.668 25443 68 1 1 . 1 1 14 14 TYR C C 14 173.192 173.192 174.058 -0.866 25443 69 1 1 . 1 1 14 14 TYR CA C 14 56.202 56.202 56.283 -0.081 25443 70 1 1 . 1 1 14 14 TYR CB C 14 40.163 40.163 40.486 -0.323 25443 71 1 1 . 1 1 14 14 TYR H H 14 9.163 9.163 8.960 0.203 25443 72 1 1 . 1 1 15 15 ILE N N 15 127.801 127.801 128.104 -0.303 25443 73 1 1 . 1 1 15 15 ILE HA H 15 4.210 4.210 4.533 -0.323 25443 74 1 1 . 1 1 15 15 ILE C C 15 173.823 173.823 175.628 -1.805 25443 75 1 1 . 1 1 15 15 ILE CA C 15 59.616 59.616 59.180 0.436 25443 76 1 1 . 1 1 15 15 ILE CB C 15 39.735 39.735 39.970 -0.235 25443 77 1 1 . 1 1 15 15 ILE H H 15 8.569 8.569 8.745 -0.176 25443 78 1 1 . 1 1 16 16 GLY N N 16 112.441 112.441 112.455 -0.014 25443 79 1 1 . 1 1 16 16 GLY C C 16 173.159 173.159 173.471 -0.312 25443 80 1 1 . 1 1 16 16 GLY CA C 16 43.244 43.244 42.975 0.269 25443 81 1 1 . 1 1 16 16 GLY H H 16 9.354 9.354 7.654 1.700 25443 82 1 1 . 1 1 17 17 ASN N N 17 114.797 114.797 118.860 -4.063 25443 83 1 1 . 1 1 17 17 ASN HA H 17 4.347 4.347 4.518 -0.171 25443 84 1 1 . 1 1 17 17 ASN C C 17 174.834 174.834 175.244 -0.410 25443 85 1 1 . 1 1 17 17 ASN CA C 17 53.214 53.214 54.714 -1.500 25443 86 1 1 . 1 1 17 17 ASN CB C 17 37.826 37.826 38.124 -0.298 25443 87 1 1 . 1 1 17 17 ASN H H 17 8.552 8.552 8.502 0.050 25443 88 1 1 . 1 1 18 18 LEU N N 18 114.526 114.526 124.491 -9.965 25443 89 1 1 . 1 1 18 18 LEU HA H 18 3.994 3.994 4.524 -0.530 25443 90 1 1 . 1 1 18 18 LEU C C 18 177.948 177.948 176.193 1.755 25443 91 1 1 . 1 1 18 18 LEU CA C 18 53.772 53.772 53.530 0.242 25443 92 1 1 . 1 1 18 18 LEU CB C 18 42.385 42.385 44.222 -1.837 25443 93 1 1 . 1 1 18 18 LEU H H 18 7.743 7.743 7.666 0.077 25443 94 1 1 . 1 1 19 19 ASN N N 19 122.718 122.718 117.580 5.138 25443 95 1 1 . 1 1 19 19 ASN HA H 19 4.302 4.302 4.610 -0.308 25443 96 1 1 . 1 1 19 19 ASN C C 19 178.040 178.040 176.951 1.089 25443 97 1 1 . 1 1 19 19 ASN CA C 19 54.421 54.421 54.085 0.336 25443 98 1 1 . 1 1 19 19 ASN CB C 19 38.580 38.580 38.938 -0.358 25443 99 1 1 . 1 1 19 19 ASN H H 19 8.758 8.758 8.647 0.111 25443 100 1 1 . 1 1 20 20 ARG N N 20 128.821 128.821 123.653 5.168 25443 101 1 1 . 1 1 20 20 ARG HA H 20 3.790 3.790 4.004 -0.214 25443 102 1 1 . 1 1 20 20 ARG C C 20 175.566 175.566 176.042 -0.476 25443 103 1 1 . 1 1 20 20 ARG CA C 20 58.775 58.775 58.474 0.301 25443 104 1 1 . 1 1 20 20 ARG CB C 20 29.642 29.642 29.890 -0.247 25443 105 1 1 . 1 1 20 20 ARG H H 20 8.997 8.997 8.652 0.345 25443 106 1 1 . 1 1 21 21 GLU N N 21 117.438 117.438 116.723 0.715 25443 107 1 1 . 1 1 21 21 GLU HA H 21 4.214 4.214 4.266 -0.052 25443 108 1 1 . 1 1 21 21 GLU C C 21 177.076 177.076 176.217 0.859 25443 109 1 1 . 1 1 21 21 GLU CA C 21 56.677 56.677 56.250 0.427 25443 110 1 1 . 1 1 21 21 GLU CB C 21 30.451 30.451 29.527 0.923 25443 111 1 1 . 1 1 21 21 GLU H H 21 9.043 9.043 8.224 0.819 25443 112 1 1 . 1 1 22 22 LEU N N 22 116.311 116.311 121.947 -5.636 25443 113 1 1 . 1 1 22 22 LEU HA H 22 4.491 4.491 4.398 0.093 25443 114 1 1 . 1 1 22 22 LEU C C 22 178.389 178.389 176.722 1.667 25443 115 1 1 . 1 1 22 22 LEU CA C 22 55.496 55.496 54.921 0.575 25443 116 1 1 . 1 1 22 22 LEU CB C 22 42.148 42.148 42.248 -0.100 25443 117 1 1 . 1 1 22 22 LEU H H 22 7.183 7.183 7.631 -0.448 25443 118 1 1 . 1 1 23 23 THR N N 23 113.850 113.850 114.290 -0.440 25443 119 1 1 . 1 1 23 23 THR HA H 23 4.289 4.289 4.776 -0.487 25443 120 1 1 . 1 1 23 23 THR C C 23 175.229 175.229 175.775 -0.546 25443 121 1 1 . 1 1 23 23 THR CA C 23 59.895 59.895 59.465 0.430 25443 122 1 1 . 1 1 23 23 THR CB C 23 71.989 71.989 71.851 0.138 25443 123 1 1 . 1 1 23 23 THR H H 23 8.743 8.743 9.244 -0.501 25443 124 1 1 . 1 1 24 24 GLU N N 24 119.724 119.724 122.442 -2.718 25443 125 1 1 . 1 1 24 24 GLU HA H 24 3.591 3.591 4.086 -0.495 25443 126 1 1 . 1 1 24 24 GLU C C 24 178.597 178.597 178.755 -0.158 25443 127 1 1 . 1 1 24 24 GLU CA C 24 63.490 63.490 61.032 2.458 25443 128 1 1 . 1 1 24 24 GLU CB C 24 27.433 27.433 29.037 -1.603 25443 129 1 1 . 1 1 24 24 GLU H H 24 9.641 9.641 8.890 0.751 25443 130 1 1 . 1 1 25 25 GLY N N 25 104.430 104.430 107.115 -2.685 25443 131 1 1 . 1 1 25 25 GLY C C 25 175.425 175.425 175.716 -0.291 25443 132 1 1 . 1 1 25 25 GLY CA C 25 47.334 47.334 46.843 0.491 25443 133 1 1 . 1 1 25 25 GLY H H 25 8.423 8.423 7.822 0.601 25443 134 1 1 . 1 1 26 26 ASP N N 26 123.128 123.128 123.344 -0.216 25443 135 1 1 . 1 1 26 26 ASP HA H 26 4.530 4.530 4.414 0.116 25443 136 1 1 . 1 1 26 26 ASP C C 26 177.878 177.878 178.586 -0.708 25443 137 1 1 . 1 1 26 26 ASP CA C 26 57.429 57.429 57.548 -0.119 25443 138 1 1 . 1 1 26 26 ASP CB C 26 41.612 41.612 40.779 0.833 25443 139 1 1 . 1 1 26 26 ASP H H 26 7.859 7.859 7.483 0.376 25443 140 1 1 . 1 1 27 27 ILE N N 27 118.864 118.864 120.509 -1.645 25443 141 1 1 . 1 1 27 27 ILE HA H 27 3.534 3.534 3.629 -0.095 25443 142 1 1 . 1 1 27 27 ILE C C 27 178.225 178.225 178.239 -0.014 25443 143 1 1 . 1 1 27 27 ILE CA C 27 65.627 65.627 65.022 0.605 25443 144 1 1 . 1 1 27 27 ILE CB C 27 37.614 37.614 38.004 -0.390 25443 145 1 1 . 1 1 27 27 ILE H H 27 8.055 8.055 8.011 0.044 25443 146 1 1 . 1 1 28 28 LEU N N 28 119.416 119.416 120.300 -0.884 25443 147 1 1 . 1 1 28 28 LEU HA H 28 3.861 3.861 4.220 -0.359 25443 148 1 1 . 1 1 28 28 LEU C C 28 179.884 179.884 178.511 1.373 25443 149 1 1 . 1 1 28 28 LEU CA C 28 58.758 58.758 58.033 0.725 25443 150 1 1 . 1 1 28 28 LEU CB C 28 41.137 41.137 41.700 -0.563 25443 151 1 1 . 1 1 28 28 LEU H H 28 8.423 8.423 8.377 0.046 25443 152 1 1 . 1 1 29 29 THR N N 29 119.586 119.586 115.316 4.270 25443 153 1 1 . 1 1 29 29 THR HA H 29 3.790 3.790 3.929 -0.139 25443 154 1 1 . 1 1 29 29 THR C C 29 176.530 176.530 176.400 0.130 25443 155 1 1 . 1 1 29 29 THR CA C 29 67.322 67.322 66.767 0.555 25443 156 1 1 . 1 1 29 29 THR CB C 29 68.372 68.372 68.766 -0.394 25443 157 1 1 . 1 1 29 29 THR H H 29 8.552 8.552 7.662 0.890 25443 158 1 1 . 1 1 30 30 VAL N N 30 119.948 119.948 119.990 -0.042 25443 159 1 1 . 1 1 30 30 VAL HA H 30 3.601 3.601 3.626 -0.025 25443 160 1 1 . 1 1 30 30 VAL C C 30 178.670 178.670 178.065 0.605 25443 161 1 1 . 1 1 30 30 VAL CA C 30 66.081 66.081 65.885 0.196 25443 162 1 1 . 1 1 30 30 VAL CB C 30 32.993 32.993 31.240 1.753 25443 163 1 1 . 1 1 30 30 VAL H H 30 7.959 7.959 7.788 0.171 25443 164 1 1 . 1 1 31 31 PHE N N 31 113.636 113.636 118.197 -4.561 25443 165 1 1 . 1 1 31 31 PHE HA H 31 4.006 4.006 4.486 -0.480 25443 166 1 1 . 1 1 31 31 PHE C C 31 180.133 180.133 178.185 1.948 25443 167 1 1 . 1 1 31 31 PHE CA C 31 62.266 62.266 59.998 2.268 25443 168 1 1 . 1 1 31 31 PHE CB C 31 37.711 37.711 37.823 -0.112 25443 169 1 1 . 1 1 31 31 PHE H H 31 8.726 8.726 7.922 0.804 25443 170 1 1 . 1 1 32 32 SER N N 32 119.746 119.746 115.430 4.316 25443 171 1 1 . 1 1 32 32 SER HA H 32 5.107 5.107 4.209 0.898 25443 172 1 1 . 1 1 32 32 SER C C 32 173.450 173.450 176.365 -2.915 25443 173 1 1 . 1 1 32 32 SER CA C 32 61.440 61.440 60.622 0.818 25443 174 1 1 . 1 1 32 32 SER CB C 32 62.690 62.690 62.550 0.140 25443 175 1 1 . 1 1 32 32 SER H H 32 8.564 8.564 8.019 0.545 25443 176 1 1 . 1 1 33 33 GLU N N 33 118.689 118.689 121.910 -3.221 25443 177 1 1 . 1 1 33 33 GLU HA H 33 3.854 3.854 3.943 -0.089 25443 178 1 1 . 1 1 33 33 GLU C C 33 176.471 176.471 177.946 -1.475 25443 179 1 1 . 1 1 33 33 GLU CA C 33 57.997 57.997 58.444 -0.447 25443 180 1 1 . 1 1 33 33 GLU CB C 33 29.503 29.503 29.043 0.460 25443 181 1 1 . 1 1 33 33 GLU H H 33 6.733 6.733 7.564 -0.831 25443 182 1 1 . 1 1 34 34 TYR N N 34 111.313 111.313 117.047 -5.734 25443 183 1 1 . 1 1 34 34 TYR HA H 34 4.469 4.469 4.525 -0.056 25443 184 1 1 . 1 1 34 34 TYR C C 34 174.351 174.351 176.683 -2.332 25443 185 1 1 . 1 1 34 34 TYR CA C 34 57.940 57.940 58.255 -0.315 25443 186 1 1 . 1 1 34 34 TYR CB C 34 39.557 39.557 38.872 0.685 25443 187 1 1 . 1 1 34 34 TYR H H 34 6.662 6.662 7.383 -0.721 25443 188 1 1 . 1 1 35 35 GLY N N 35 106.055 106.055 106.880 -0.825 25443 189 1 1 . 1 1 35 35 GLY C C 35 170.709 170.709 174.237 -3.528 25443 190 1 1 . 1 1 35 35 GLY CA C 35 45.230 45.230 45.791 -0.561 25443 191 1 1 . 1 1 35 35 GLY H H 35 7.302 7.302 7.677 -0.375 25443 192 1 1 . 1 1 36 36 VAL N N 36 121.596 121.596 121.032 0.564 25443 193 1 1 . 1 1 36 36 VAL HA H 36 4.492 4.492 4.422 0.070 25443 194 1 1 . 1 1 36 36 VAL CA C 36 59.912 59.912 58.967 0.945 25443 195 1 1 . 1 1 36 36 VAL CB C 36 33.632 33.632 32.563 1.069 25443 196 1 1 . 1 1 36 36 VAL H H 36 8.595 8.595 7.634 0.961 25443 197 1 1 . 1 1 37 37 PRO HA H 37 4.499 4.499 4.793 -0.294 25443 198 1 1 . 1 1 37 37 PRO C C 37 176.150 176.150 175.369 0.781 25443 199 1 1 . 1 1 37 37 PRO CA C 37 62.320 62.320 62.553 -0.233 25443 200 1 1 . 1 1 37 37 PRO CB C 37 31.945 31.945 31.602 0.343 25443 201 1 1 . 1 1 38 38 VAL N N 38 114.135 114.135 122.095 -7.960 25443 202 1 1 . 1 1 38 38 VAL HA H 38 4.436 4.436 4.591 -0.155 25443 203 1 1 . 1 1 38 38 VAL C C 38 175.124 175.124 175.204 -0.080 25443 204 1 1 . 1 1 38 38 VAL CA C 38 60.488 60.488 59.788 0.700 25443 205 1 1 . 1 1 38 38 VAL CB C 38 32.560 32.560 34.613 -2.053 25443 206 1 1 . 1 1 38 38 VAL H H 38 9.006 9.006 7.831 1.175 25443 207 1 1 . 1 1 39 39 ASP N N 39 118.095 118.095 121.743 -3.648 25443 208 1 1 . 1 1 39 39 ASP HA H 39 4.626 4.626 4.616 0.010 25443 209 1 1 . 1 1 39 39 ASP C C 39 174.577 174.577 174.594 -0.017 25443 210 1 1 . 1 1 39 39 ASP CA C 39 54.706 54.706 56.054 -1.348 25443 211 1 1 . 1 1 39 39 ASP CB C 39 43.495 43.495 41.756 1.739 25443 212 1 1 . 1 1 39 39 ASP H H 39 7.454 7.454 8.289 -0.835 25443 213 1 1 . 1 1 40 40 VAL N N 40 121.566 121.566 121.932 -0.366 25443 214 1 1 . 1 1 40 40 VAL HA H 40 4.897 4.897 4.763 0.134 25443 215 1 1 . 1 1 40 40 VAL C C 40 170.928 170.928 174.442 -3.514 25443 216 1 1 . 1 1 40 40 VAL CA C 40 60.729 60.729 60.866 -0.137 25443 217 1 1 . 1 1 40 40 VAL CB C 40 34.373 34.373 34.958 -0.585 25443 218 1 1 . 1 1 40 40 VAL H H 40 7.576 7.576 8.388 -0.812 25443 219 1 1 . 1 1 41 41 ILE N N 41 125.247 125.247 129.505 -4.258 25443 220 1 1 . 1 1 41 41 ILE HA H 41 4.752 4.752 4.718 0.034 25443 221 1 1 . 1 1 41 41 ILE C C 41 175.440 175.440 174.024 1.416 25443 222 1 1 . 1 1 41 41 ILE CA C 41 61.609 61.609 60.429 1.180 25443 223 1 1 . 1 1 41 41 ILE H H 41 8.929 8.929 9.137 -0.208 25443 224 1 1 . 1 1 42 42 LEU N N 42 128.791 128.791 129.568 -0.777 25443 225 1 1 . 1 1 42 42 LEU HA H 42 4.387 4.387 5.166 -0.779 25443 226 1 1 . 1 1 42 42 LEU C C 42 174.979 174.979 175.854 -0.875 25443 227 1 1 . 1 1 42 42 LEU CA C 42 53.345 53.345 52.990 0.355 25443 228 1 1 . 1 1 42 42 LEU CB C 42 43.298 43.298 45.556 -2.257 25443 229 1 1 . 1 1 42 42 LEU H H 42 8.309 8.309 9.425 -1.116 25443 230 1 1 . 1 1 43 43 SER N N 43 122.753 122.753 124.651 -1.898 25443 231 1 1 . 1 1 43 43 SER HA H 43 3.821 3.821 4.598 -0.777 25443 232 1 1 . 1 1 43 43 SER C C 43 173.870 173.870 173.549 0.321 25443 233 1 1 . 1 1 43 43 SER CA C 43 59.707 59.707 59.928 -0.221 25443 234 1 1 . 1 1 43 43 SER CB C 43 62.714 62.714 62.947 -0.233 25443 235 1 1 . 1 1 43 43 SER H H 43 8.317 8.317 9.392 -1.075 25443 236 1 1 . 1 1 44 44 ARG N N 44 128.068 128.068 125.465 2.603 25443 237 1 1 . 1 1 44 44 ARG HA H 44 4.763 4.763 5.149 -0.386 25443 238 1 1 . 1 1 44 44 ARG C C 44 175.094 175.094 175.421 -0.327 25443 239 1 1 . 1 1 44 44 ARG CA C 44 54.100 54.100 54.304 -0.204 25443 240 1 1 . 1 1 44 44 ARG CB C 44 34.218 34.218 34.215 0.003 25443 241 1 1 . 1 1 44 44 ARG H H 44 8.152 8.152 8.088 0.064 25443 242 1 1 . 1 1 45 45 ASP N N 45 123.595 123.595 122.768 0.827 25443 243 1 1 . 1 1 45 45 ASP HA H 45 4.172 4.172 4.468 -0.296 25443 244 1 1 . 1 1 45 45 ASP C C 45 177.467 177.467 177.243 0.224 25443 245 1 1 . 1 1 45 45 ASP CA C 45 54.898 54.898 55.343 -0.445 25443 246 1 1 . 1 1 45 45 ASP CB C 45 43.568 43.568 42.803 0.765 25443 247 1 1 . 1 1 45 45 ASP H H 45 8.628 8.628 8.632 -0.004 25443 248 1 1 . 1 1 46 46 GLU N N 46 125.161 125.161 124.910 0.251 25443 249 1 1 . 1 1 46 46 GLU HA H 46 3.843 3.843 4.190 -0.347 25443 250 1 1 . 1 1 46 46 GLU C C 46 175.690 175.690 176.601 -0.911 25443 251 1 1 . 1 1 46 46 GLU CA C 46 58.861 58.861 58.693 0.168 25443 252 1 1 . 1 1 46 46 GLU CB C 46 29.636 29.636 29.743 -0.107 25443 253 1 1 . 1 1 46 46 GLU H H 46 9.013 9.013 8.845 0.168 25443 254 1 1 . 1 1 47 47 ASN N N 47 115.135 115.135 116.202 -1.067 25443 255 1 1 . 1 1 47 47 ASN HA H 47 4.842 4.842 4.842 -0.000 25443 256 1 1 . 1 1 47 47 ASN C C 47 176.655 176.655 176.893 -0.238 25443 257 1 1 . 1 1 47 47 ASN CA C 47 54.897 54.897 54.396 0.501 25443 258 1 1 . 1 1 47 47 ASN CB C 47 40.141 40.141 40.020 0.121 25443 259 1 1 . 1 1 47 47 ASN H H 47 8.926 8.926 8.889 0.037 25443 260 1 1 . 1 1 48 48 THR N N 48 107.544 107.544 112.333 -4.789 25443 261 1 1 . 1 1 48 48 THR HA H 48 4.400 4.400 4.544 -0.144 25443 262 1 1 . 1 1 48 48 THR C C 48 176.484 176.484 175.176 1.308 25443 263 1 1 . 1 1 48 48 THR CA C 48 61.513 61.513 61.607 -0.094 25443 264 1 1 . 1 1 48 48 THR CB C 48 71.189 71.189 69.786 1.403 25443 265 1 1 . 1 1 48 48 THR H H 48 8.455 8.455 8.616 -0.161 25443 266 1 1 . 1 1 49 49 GLY N N 49 111.753 111.753 110.016 1.737 25443 267 1 1 . 1 1 49 49 GLY C C 49 173.167 173.167 174.283 -1.116 25443 268 1 1 . 1 1 49 49 GLY CA C 49 45.628 45.628 45.596 0.032 25443 269 1 1 . 1 1 49 49 GLY H H 49 8.607 8.607 7.567 1.040 25443 270 1 1 . 1 1 50 50 GLU N N 50 119.978 119.978 119.905 0.073 25443 271 1 1 . 1 1 50 50 GLU HA H 50 4.071 4.071 4.142 -0.071 25443 272 1 1 . 1 1 50 50 GLU C C 50 176.629 176.629 176.726 -0.097 25443 273 1 1 . 1 1 50 50 GLU CA C 50 56.500 56.500 56.903 -0.403 25443 274 1 1 . 1 1 50 50 GLU CB C 50 30.927 30.927 29.920 1.007 25443 275 1 1 . 1 1 50 50 GLU H H 50 7.796 7.796 8.291 -0.495 25443 276 1 1 . 1 1 51 51 SER N N 51 115.672 115.672 121.688 -6.016 25443 277 1 1 . 1 1 51 51 SER HA H 51 4.205 4.205 4.465 -0.260 25443 278 1 1 . 1 1 51 51 SER C C 51 176.532 176.532 175.070 1.462 25443 279 1 1 . 1 1 51 51 SER CA C 51 58.320 58.320 59.458 -1.138 25443 280 1 1 . 1 1 51 51 SER CB C 51 64.596 64.596 62.599 1.997 25443 281 1 1 . 1 1 51 51 SER H H 51 8.889 8.889 8.933 -0.044 25443 282 1 1 . 1 1 52 52 GLN N N 52 123.139 123.139 125.336 -2.197 25443 283 1 1 . 1 1 52 52 GLN HA H 52 4.421 4.421 4.194 0.227 25443 284 1 1 . 1 1 52 52 GLN C C 52 177.396 177.396 176.661 0.735 25443 285 1 1 . 1 1 52 52 GLN CA C 52 55.051 55.051 56.792 -1.741 25443 286 1 1 . 1 1 52 52 GLN CB C 52 29.874 29.874 29.147 0.727 25443 287 1 1 . 1 1 52 52 GLN H H 52 9.078 9.078 8.908 0.170 25443 288 1 1 . 1 1 53 53 GLY N N 53 105.904 105.904 105.108 0.796 25443 289 1 1 . 1 1 53 53 GLY C C 53 172.046 172.046 173.415 -1.369 25443 290 1 1 . 1 1 53 53 GLY CA C 53 46.550 46.550 44.389 2.160 25443 291 1 1 . 1 1 53 53 GLY H H 53 8.851 8.851 7.887 0.964 25443 292 1 1 . 1 1 54 54 PHE N N 54 111.888 111.888 120.592 -8.704 25443 293 1 1 . 1 1 54 54 PHE HA H 54 5.253 5.253 4.897 0.356 25443 294 1 1 . 1 1 54 54 PHE C C 54 171.570 171.570 173.537 -1.967 25443 295 1 1 . 1 1 54 54 PHE CA C 54 55.592 55.592 55.523 0.069 25443 296 1 1 . 1 1 54 54 PHE CB C 54 40.806 40.806 40.205 0.601 25443 297 1 1 . 1 1 54 54 PHE H H 54 6.827 6.827 7.172 -0.345 25443 298 1 1 . 1 1 55 55 ALA N N 55 121.888 121.888 124.325 -2.437 25443 299 1 1 . 1 1 55 55 ALA HA H 55 5.032 5.032 5.186 -0.154 25443 300 1 1 . 1 1 55 55 ALA C C 55 172.957 172.957 175.023 -2.066 25443 301 1 1 . 1 1 55 55 ALA CA C 55 49.477 49.477 49.969 -0.492 25443 302 1 1 . 1 1 55 55 ALA H H 55 8.927 8.927 8.219 0.708 25443 303 1 1 . 1 1 56 56 TYR N N 56 115.049 115.049 117.511 -2.462 25443 304 1 1 . 1 1 56 56 TYR HA H 56 5.602 5.602 5.662 -0.060 25443 305 1 1 . 1 1 56 56 TYR C C 56 175.162 175.162 174.419 0.743 25443 306 1 1 . 1 1 56 56 TYR CA C 56 55.444 55.444 56.114 -0.670 25443 307 1 1 . 1 1 56 56 TYR CB C 56 42.189 42.189 42.737 -0.548 25443 308 1 1 . 1 1 56 56 TYR H H 56 9.020 9.020 9.121 -0.101 25443 309 1 1 . 1 1 57 57 LEU N N 57 122.745 122.745 122.912 -0.167 25443 310 1 1 . 1 1 57 57 LEU HA H 57 4.713 4.713 4.921 -0.208 25443 311 1 1 . 1 1 57 57 LEU C C 57 172.371 172.371 174.664 -2.293 25443 312 1 1 . 1 1 57 57 LEU CA C 57 54.712 54.712 54.494 0.218 25443 313 1 1 . 1 1 57 57 LEU CB C 57 46.754 46.754 45.693 1.061 25443 314 1 1 . 1 1 57 57 LEU H H 57 8.706 8.706 8.649 0.057 25443 315 1 1 . 1 1 58 58 LYS N N 58 125.469 125.469 128.872 -3.403 25443 316 1 1 . 1 1 58 58 LYS HA H 58 4.467 4.467 4.692 -0.225 25443 317 1 1 . 1 1 58 58 LYS C C 58 175.152 175.152 174.320 0.832 25443 318 1 1 . 1 1 58 58 LYS CA C 58 54.494 54.494 54.606 -0.112 25443 319 1 1 . 1 1 58 58 LYS CB C 58 36.479 36.479 33.625 2.854 25443 320 1 1 . 1 1 58 58 LYS H H 58 7.948 7.948 8.527 -0.579 25443 321 1 1 . 1 1 59 59 TYR N N 59 126.261 126.261 122.371 3.890 25443 322 1 1 . 1 1 59 59 TYR HA H 59 5.003 5.003 4.754 0.249 25443 323 1 1 . 1 1 59 59 TYR C C 59 176.020 176.020 174.118 1.902 25443 324 1 1 . 1 1 59 59 TYR CA C 59 57.992 57.992 55.399 2.593 25443 325 1 1 . 1 1 59 59 TYR CB C 59 41.715 41.715 40.713 1.002 25443 326 1 1 . 1 1 59 59 TYR H H 59 8.957 8.957 7.796 1.161 25443 327 1 1 . 1 1 60 60 GLU N N 60 120.342 120.342 123.074 -2.732 25443 328 1 1 . 1 1 60 60 GLU HA H 60 3.839 3.839 4.489 -0.650 25443 329 1 1 . 1 1 60 60 GLU C C 60 175.346 175.346 175.841 -0.495 25443 330 1 1 . 1 1 60 60 GLU CA C 60 59.057 59.057 56.023 3.034 25443 331 1 1 . 1 1 60 60 GLU CB C 60 30.653 30.653 29.971 0.682 25443 332 1 1 . 1 1 60 60 GLU H H 60 8.845 8.845 8.577 0.268 25443 333 1 1 . 1 1 61 61 ASP N N 61 116.193 116.193 125.407 -9.214 25443 334 1 1 . 1 1 61 61 ASP HA H 61 4.915 4.915 4.795 0.120 25443 335 1 1 . 1 1 61 61 ASP C C 61 176.659 176.659 176.034 0.625 25443 336 1 1 . 1 1 61 61 ASP CA C 61 51.856 51.856 54.990 -3.134 25443 337 1 1 . 1 1 61 61 ASP CB C 61 43.726 43.726 42.766 0.960 25443 338 1 1 . 1 1 61 61 ASP H H 61 7.922 7.922 8.390 -0.468 25443 339 1 1 . 1 1 62 62 GLN N N 62 125.812 125.812 125.704 0.108 25443 340 1 1 . 1 1 62 62 GLN HA H 62 4.221 4.221 3.998 0.223 25443 341 1 1 . 1 1 62 62 GLN C C 62 178.430 178.430 177.500 0.930 25443 342 1 1 . 1 1 62 62 GLN CA C 62 58.449 58.449 59.301 -0.852 25443 343 1 1 . 1 1 62 62 GLN CB C 62 28.076 28.076 29.066 -0.990 25443 344 1 1 . 1 1 62 62 GLN H H 62 8.964 8.964 8.872 0.092 25443 345 1 1 . 1 1 63 63 ARG N N 63 120.943 120.943 119.040 1.903 25443 346 1 1 . 1 1 63 63 ARG HA H 63 3.979 3.979 4.052 -0.073 25443 347 1 1 . 1 1 63 63 ARG C C 63 179.350 179.350 178.615 0.735 25443 348 1 1 . 1 1 63 63 ARG CA C 63 59.398 59.398 59.580 -0.182 25443 349 1 1 . 1 1 63 63 ARG CB C 63 29.466 29.466 30.115 -0.649 25443 350 1 1 . 1 1 63 63 ARG H H 63 8.965 8.965 8.572 0.393 25443 351 1 1 . 1 1 64 64 SER N N 64 115.358 115.358 115.067 0.291 25443 352 1 1 . 1 1 64 64 SER HA H 64 3.898 3.898 4.212 -0.314 25443 353 1 1 . 1 1 64 64 SER C C 64 174.444 174.444 176.371 -1.927 25443 354 1 1 . 1 1 64 64 SER CA C 64 62.459 62.459 61.912 0.547 25443 355 1 1 . 1 1 64 64 SER CB C 64 62.040 62.040 62.618 -0.578 25443 356 1 1 . 1 1 64 64 SER H H 64 8.065 8.065 8.902 -0.837 25443 357 1 1 . 1 1 65 65 THR N N 65 113.614 113.614 116.496 -2.882 25443 358 1 1 . 1 1 65 65 THR HA H 65 3.751 3.751 4.415 -0.664 25443 359 1 1 . 1 1 65 65 THR C C 65 175.357 175.357 176.645 -1.288 25443 360 1 1 . 1 1 65 65 THR CA C 65 66.292 66.292 65.511 0.781 25443 361 1 1 . 1 1 65 65 THR CB C 65 68.457 68.457 68.855 -0.398 25443 362 1 1 . 1 1 65 65 THR H H 65 7.484 7.484 7.857 -0.373 25443 363 1 1 . 1 1 66 66 ILE N N 66 120.736 120.736 122.413 -1.677 25443 364 1 1 . 1 1 66 66 ILE HA H 66 3.653 3.653 3.914 -0.262 25443 365 1 1 . 1 1 66 66 ILE C C 66 177.518 177.518 178.193 -0.675 25443 366 1 1 . 1 1 66 66 ILE CA C 66 64.014 64.014 65.168 -1.154 25443 367 1 1 . 1 1 66 66 ILE CB C 66 42.194 42.194 37.406 4.788 25443 368 1 1 . 1 1 66 66 ILE H H 66 6.976 6.976 7.488 -0.512 25443 369 1 1 . 1 1 67 67 LEU N N 67 117.584 117.584 121.724 -4.140 25443 370 1 1 . 1 1 67 67 LEU HA H 67 3.921 3.921 3.950 -0.029 25443 371 1 1 . 1 1 67 67 LEU C C 67 179.650 179.650 178.105 1.545 25443 372 1 1 . 1 1 67 67 LEU CA C 67 57.452 57.452 58.141 -0.689 25443 373 1 1 . 1 1 67 67 LEU CB C 67 42.172 42.172 41.946 0.226 25443 374 1 1 . 1 1 67 67 LEU H H 67 7.006 7.006 7.786 -0.780 25443 375 1 1 . 1 1 68 68 ALA N N 68 121.025 121.025 120.890 0.135 25443 376 1 1 . 1 1 68 68 ALA HA H 68 3.285 3.285 3.720 -0.435 25443 377 1 1 . 1 1 68 68 ALA C C 68 179.216 179.216 179.862 -0.646 25443 378 1 1 . 1 1 68 68 ALA CA C 68 55.564 55.564 54.813 0.751 25443 379 1 1 . 1 1 68 68 ALA CB C 68 18.852 18.852 18.149 0.703 25443 380 1 1 . 1 1 68 68 ALA H H 68 8.121 8.121 7.907 0.214 25443 381 1 1 . 1 1 69 69 VAL N N 69 117.799 117.799 118.384 -0.585 25443 382 1 1 . 1 1 69 69 VAL HA H 69 3.243 3.243 3.533 -0.290 25443 383 1 1 . 1 1 69 69 VAL C C 69 178.541 178.541 177.964 0.577 25443 384 1 1 . 1 1 69 69 VAL CA C 69 67.237 67.237 67.107 0.130 25443 385 1 1 . 1 1 69 69 VAL CB C 69 31.679 31.679 31.747 -0.068 25443 386 1 1 . 1 1 69 69 VAL H H 69 8.012 8.012 8.333 -0.321 25443 387 1 1 . 1 1 70 70 ASP N N 70 117.013 117.013 117.795 -0.782 25443 388 1 1 . 1 1 70 70 ASP HA H 70 4.339 4.339 4.467 -0.128 25443 389 1 1 . 1 1 70 70 ASP C C 70 178.330 178.330 177.731 0.599 25443 390 1 1 . 1 1 70 70 ASP CA C 70 57.131 57.131 56.835 0.296 25443 391 1 1 . 1 1 70 70 ASP CB C 70 40.465 40.465 41.312 -0.847 25443 392 1 1 . 1 1 70 70 ASP H H 70 8.216 8.216 8.090 0.126 25443 393 1 1 . 1 1 71 71 ASN N N 71 112.777 112.777 116.762 -3.985 25443 394 1 1 . 1 1 71 71 ASN HA H 71 4.587 4.587 4.638 -0.051 25443 395 1 1 . 1 1 71 71 ASN C C 71 176.314 176.314 177.224 -0.910 25443 396 1 1 . 1 1 71 71 ASN CA C 71 55.474 55.474 55.348 0.126 25443 397 1 1 . 1 1 71 71 ASN CB C 71 40.592 40.592 39.019 1.573 25443 398 1 1 . 1 1 71 71 ASN H H 71 7.582 7.582 8.263 -0.681 25443 399 1 1 . 1 1 72 72 LEU N N 72 116.551 116.551 117.573 -1.022 25443 400 1 1 . 1 1 72 72 LEU HA H 72 4.494 4.494 4.305 0.189 25443 401 1 1 . 1 1 72 72 LEU C C 72 177.500 177.500 176.618 0.882 25443 402 1 1 . 1 1 72 72 LEU CA C 72 54.590 54.590 55.821 -1.231 25443 403 1 1 . 1 1 72 72 LEU CB C 72 42.862 42.862 42.161 0.701 25443 404 1 1 . 1 1 72 72 LEU H H 72 8.201 8.201 8.371 -0.170 25443 405 1 1 . 1 1 73 73 ASN N N 73 118.974 118.974 118.377 0.597 25443 406 1 1 . 1 1 73 73 ASN HA H 73 4.392 4.392 4.817 -0.425 25443 407 1 1 . 1 1 73 73 ASN C C 73 177.151 177.151 176.647 0.504 25443 408 1 1 . 1 1 73 73 ASN CA C 73 56.276 56.276 54.907 1.369 25443 409 1 1 . 1 1 73 73 ASN CB C 73 38.853 38.853 37.749 1.103 25443 410 1 1 . 1 1 73 73 ASN H H 73 7.406 7.406 7.734 -0.328 25443 411 1 1 . 1 1 74 74 GLY N N 74 116.478 116.478 113.713 2.765 25443 412 1 1 . 1 1 74 74 GLY C C 74 172.756 172.756 173.513 -0.757 25443 413 1 1 . 1 1 74 74 GLY CA C 74 45.662 45.662 45.125 0.537 25443 414 1 1 . 1 1 74 74 GLY H H 74 9.106 9.106 9.056 0.050 25443 415 1 1 . 1 1 75 75 PHE N N 75 123.853 123.853 122.827 1.026 25443 416 1 1 . 1 1 75 75 PHE HA H 75 4.328 4.328 4.595 -0.267 25443 417 1 1 . 1 1 75 75 PHE C C 75 175.065 175.065 174.291 0.774 25443 418 1 1 . 1 1 75 75 PHE CA C 75 58.371 58.371 57.538 0.833 25443 419 1 1 . 1 1 75 75 PHE CB C 75 40.947 40.947 40.491 0.456 25443 420 1 1 . 1 1 75 75 PHE H H 75 8.074 8.074 8.098 -0.024 25443 421 1 1 . 1 1 76 76 LYS N N 76 126.700 126.700 127.123 -0.423 25443 422 1 1 . 1 1 76 76 LYS HA H 76 4.536 4.536 4.458 0.078 25443 423 1 1 . 1 1 76 76 LYS C C 76 175.395 175.395 175.697 -0.302 25443 424 1 1 . 1 1 76 76 LYS CA C 76 56.227 56.227 55.445 0.782 25443 425 1 1 . 1 1 76 76 LYS CB C 76 32.969 32.969 32.861 0.108 25443 426 1 1 . 1 1 76 76 LYS H H 76 7.766 7.766 8.054 -0.288 25443 427 1 1 . 1 1 77 77 ILE N N 77 120.686 120.686 125.675 -4.989 25443 428 1 1 . 1 1 77 77 ILE HA H 77 4.231 4.231 4.183 0.048 25443 429 1 1 . 1 1 77 77 ILE C C 77 177.605 177.605 176.481 1.124 25443 430 1 1 . 1 1 77 77 ILE CA C 77 59.981 59.981 59.873 0.108 25443 431 1 1 . 1 1 77 77 ILE CB C 77 40.409 40.409 38.128 2.281 25443 432 1 1 . 1 1 77 77 ILE H H 77 8.005 8.005 8.775 -0.770 25443 433 1 1 . 1 1 78 78 GLY N N 78 118.352 118.352 117.067 1.285 25443 434 1 1 . 1 1 78 78 GLY C C 78 175.639 175.639 175.238 0.401 25443 435 1 1 . 1 1 78 78 GLY CA C 78 47.227 47.227 45.336 1.891 25443 436 1 1 . 1 1 78 78 GLY H H 78 9.800 9.800 8.722 1.078 25443 437 1 1 . 1 1 79 79 GLY N N 79 104.167 104.167 104.724 -0.557 25443 438 1 1 . 1 1 79 79 GLY C C 79 173.371 173.371 174.298 -0.927 25443 439 1 1 . 1 1 79 79 GLY CA C 79 45.037 45.037 44.633 0.404 25443 440 1 1 . 1 1 79 79 GLY H H 79 8.795 8.795 8.055 0.740 25443 441 1 1 . 1 1 80 80 ARG N N 80 119.090 119.090 122.999 -3.909 25443 442 1 1 . 1 1 80 80 ARG HA H 80 4.590 4.590 4.483 0.107 25443 443 1 1 . 1 1 80 80 ARG C C 80 174.563 174.563 175.219 -0.656 25443 444 1 1 . 1 1 80 80 ARG CA C 80 54.615 54.615 53.633 0.982 25443 445 1 1 . 1 1 80 80 ARG CB C 80 33.487 33.487 29.905 3.582 25443 446 1 1 . 1 1 80 80 ARG H H 80 7.281 7.281 7.580 -0.298 25443 447 1 1 . 1 1 81 81 ALA N N 81 126.039 126.039 129.293 -3.254 25443 448 1 1 . 1 1 81 81 ALA HA H 81 4.216 4.216 4.528 -0.312 25443 449 1 1 . 1 1 81 81 ALA C C 81 177.149 177.149 177.220 -0.071 25443 450 1 1 . 1 1 81 81 ALA CA C 81 51.081 51.081 51.743 -0.662 25443 451 1 1 . 1 1 81 81 ALA CB C 81 19.226 19.226 19.478 -0.252 25443 452 1 1 . 1 1 81 81 ALA H H 81 8.651 8.651 8.815 -0.164 25443 453 1 1 . 1 1 82 82 LEU N N 82 125.451 125.451 125.553 -0.102 25443 454 1 1 . 1 1 82 82 LEU HA H 82 4.390 4.390 4.364 0.026 25443 455 1 1 . 1 1 82 82 LEU C C 82 177.498 177.498 176.453 1.045 25443 456 1 1 . 1 1 82 82 LEU CA C 82 56.065 56.065 54.683 1.382 25443 457 1 1 . 1 1 82 82 LEU CB C 82 43.267 43.267 42.083 1.185 25443 458 1 1 . 1 1 82 82 LEU H H 82 8.805 8.805 9.055 -0.250 25443 459 1 1 . 1 1 83 83 LYS N N 83 123.253 123.253 125.834 -2.581 25443 460 1 1 . 1 1 83 83 LYS C C 83 174.892 174.892 175.118 -0.226 25443 461 1 1 . 1 1 83 83 LYS CA C 83 54.892 54.892 54.959 -0.067 25443 462 1 1 . 1 1 83 83 LYS H H 83 7.768 7.768 8.600 -0.832 25443 463 1 1 . 1 1 84 84 ILE N N 84 125.577 125.577 126.236 -0.659 25443 464 1 1 . 1 1 84 84 ILE HA H 84 5.581 5.581 5.049 0.532 25443 465 1 1 . 1 1 84 84 ILE C C 84 174.901 174.901 175.824 -0.923 25443 466 1 1 . 1 1 84 84 ILE CA C 84 58.803 58.803 58.716 0.087 25443 467 1 1 . 1 1 84 84 ILE CB C 84 40.306 40.306 38.138 2.168 25443 468 1 1 . 1 1 84 84 ILE H H 84 8.616 8.616 8.537 0.079 25443 469 1 1 . 1 1 85 85 ASP N N 85 125.373 125.373 127.687 -2.314 25443 470 1 1 . 1 1 85 85 ASP HA H 85 4.909 4.909 5.116 -0.207 25443 471 1 1 . 1 1 85 85 ASP C C 85 174.826 174.826 175.120 -0.294 25443 472 1 1 . 1 1 85 85 ASP CA C 85 52.372 52.372 52.600 -0.228 25443 473 1 1 . 1 1 85 85 ASP CB C 85 45.290 45.290 43.932 1.358 25443 474 1 1 . 1 1 85 85 ASP H H 85 8.907 8.907 8.836 0.071 25443 475 1 1 . 1 1 86 86 HIS N N 86 121.396 121.396 119.132 2.264 25443 476 1 1 . 1 1 86 86 HIS CA C 86 57.540 57.540 56.653 0.888 25443 477 1 1 . 1 1 86 86 HIS CB C 86 30.985 30.985 31.638 -0.653 25443 478 1 1 . 1 1 86 86 HIS H H 86 8.970 8.970 8.850 0.120 25443 479 1 1 . 1 1 87 87 THR N N 87 116.761 116.761 118.296 -1.535 25443 480 1 1 . 1 1 87 87 THR HA H 87 4.652 4.652 4.590 0.062 25443 481 1 1 . 1 1 87 87 THR C C 87 171.272 171.272 172.179 -0.907 25443 482 1 1 . 1 1 87 87 THR CA C 87 60.710 60.710 61.103 -0.393 25443 483 1 1 . 1 1 87 87 THR CB C 87 69.764 69.764 69.904 -0.140 25443 484 1 1 . 1 1 87 87 THR H H 87 8.557 8.557 8.595 -0.038 25443 485 1 1 . 1 1 88 88 PHE N N 88 120.343 120.343 120.714 -0.371 25443 486 1 1 . 1 1 88 88 PHE HA H 88 5.273 5.273 5.064 0.209 25443 487 1 1 . 1 1 88 88 PHE C C 88 174.288 174.288 172.836 1.452 25443 488 1 1 . 1 1 88 88 PHE CA C 88 55.959 55.959 55.406 0.553 25443 489 1 1 . 1 1 88 88 PHE CB C 88 41.079 41.079 41.516 -0.437 25443 490 1 1 . 1 1 88 88 PHE H H 88 8.114 8.114 7.939 0.175 25443 491 1 1 . 1 1 89 89 TYR N N 89 123.043 123.043 124.308 -1.265 25443 492 1 1 . 1 1 89 89 TYR HA H 89 4.026 4.026 4.685 -0.659 25443 493 1 1 . 1 1 89 89 TYR C C 89 173.155 173.155 173.364 -0.209 25443 494 1 1 . 1 1 89 89 TYR CA C 89 57.493 57.493 57.493 -0.000 25443 495 1 1 . 1 1 89 89 TYR CB C 89 39.829 39.829 42.931 -3.102 25443 496 1 1 . 1 1 89 89 TYR H H 89 8.176 8.176 8.801 -0.625 25443 497 1 1 . 1 1 90 90 ARG N N 90 129.004 129.004 127.121 1.883 25443 498 1 1 . 1 1 90 90 ARG HA H 90 4.398 4.398 4.381 0.017 25443 499 1 1 . 1 1 90 90 ARG CA C 90 51.548 51.548 52.054 -0.506 25443 500 1 1 . 1 1 90 90 ARG CB C 90 30.882 30.882 30.026 0.856 25443 501 1 1 . 1 1 90 90 ARG H H 90 7.078 7.078 8.237 -1.159 25443 502 1 1 . 1 1 91 91 PRO HA H 91 4.155 4.155 3.842 0.313 25443 503 1 1 . 1 1 91 91 PRO C C 91 176.340 176.340 176.516 -0.176 25443 504 1 1 . 1 1 91 91 PRO CA C 91 62.454 62.454 62.354 0.100 25443 505 1 1 . 1 1 91 91 PRO CB C 91 33.072 33.072 31.358 1.714 25443 506 1 1 . 1 1 92 92 LYS N N 92 119.682 119.682 124.110 -4.428 25443 507 1 1 . 1 1 92 92 LYS CA C 92 54.711 54.711 55.345 -0.634 25443 508 1 1 . 1 1 92 92 LYS H H 92 8.644 8.644 8.595 0.049 25443 509 1 1 . 1 1 93 93 ARG C C 93 178.899 178.899 178.484 0.415 25443 510 1 1 . 1 1 93 93 ARG CA C 93 59.125 59.125 58.584 0.541 25443 511 1 1 . 1 1 94 94 SER N N 94 112.166 112.166 115.069 -2.903 25443 512 1 1 . 1 1 94 94 SER HA H 94 4.176 4.176 4.357 -0.181 25443 513 1 1 . 1 1 94 94 SER C C 94 175.776 175.776 175.269 0.507 25443 514 1 1 . 1 1 94 94 SER CA C 94 60.031 60.031 60.574 -0.543 25443 515 1 1 . 1 1 94 94 SER CB C 94 62.152 62.152 62.924 -0.772 25443 516 1 1 . 1 1 94 94 SER H H 94 8.299 8.299 8.308 -0.009 25443 517 1 1 . 1 1 95 95 LEU N N 95 122.179 122.179 121.556 0.623 25443 518 1 1 . 1 1 95 95 LEU HA H 95 4.651 4.651 4.742 -0.091 25443 519 1 1 . 1 1 95 95 LEU C C 95 175.381 175.381 176.961 -1.580 25443 520 1 1 . 1 1 95 95 LEU CA C 95 53.934 53.934 53.740 0.194 25443 521 1 1 . 1 1 95 95 LEU CB C 95 41.861 41.861 42.903 -1.042 25443 522 1 1 . 1 1 95 95 LEU H H 95 7.159 7.159 7.560 -0.401 25443 523 1 1 . 1 1 96 96 GLN N N 96 118.834 118.834 121.182 -2.348 25443 524 1 1 . 1 1 96 96 GLN HA H 96 4.030 4.030 4.276 -0.246 25443 525 1 1 . 1 1 96 96 GLN C C 96 177.751 177.751 177.605 0.146 25443 526 1 1 . 1 1 96 96 GLN CA C 96 60.705 60.705 59.393 1.312 25443 527 1 1 . 1 1 96 96 GLN CB C 96 28.822 28.822 28.331 0.491 25443 528 1 1 . 1 1 96 96 GLN H H 96 7.329 7.329 7.881 -0.552 25443 529 1 1 . 1 1 97 97 LYS N N 97 116.469 116.469 119.980 -3.511 25443 530 1 1 . 1 1 97 97 LYS HA H 97 4.060 4.060 4.002 0.058 25443 531 1 1 . 1 1 97 97 LYS C C 97 179.164 179.164 179.028 0.136 25443 532 1 1 . 1 1 97 97 LYS CA C 97 59.430 59.430 59.313 0.117 25443 533 1 1 . 1 1 97 97 LYS CB C 97 31.511 31.511 31.828 -0.317 25443 534 1 1 . 1 1 97 97 LYS H H 97 8.614 8.614 8.243 0.371 25443 535 1 1 . 1 1 98 98 TYR N N 98 124.165 124.165 121.443 2.722 25443 536 1 1 . 1 1 98 98 TYR HA H 98 4.079 4.079 3.999 0.080 25443 537 1 1 . 1 1 98 98 TYR C C 98 177.316 177.316 177.723 -0.407 25443 538 1 1 . 1 1 98 98 TYR CA C 98 62.205 62.205 61.985 0.220 25443 539 1 1 . 1 1 98 98 TYR CB C 98 37.162 37.162 38.302 -1.140 25443 540 1 1 . 1 1 98 98 TYR H H 98 7.585 7.585 7.631 -0.046 25443 541 1 1 . 1 1 99 99 TYR N N 99 117.955 117.955 116.805 1.150 25443 542 1 1 . 1 1 99 99 TYR HA H 99 5.078 5.078 4.248 0.830 25443 543 1 1 . 1 1 99 99 TYR C C 99 180.957 180.957 178.311 2.646 25443 544 1 1 . 1 1 99 99 TYR CA C 99 57.741 57.741 61.050 -3.309 25443 545 1 1 . 1 1 99 99 TYR CB C 99 37.083 37.083 37.782 -0.699 25443 546 1 1 . 1 1 99 99 TYR H H 99 8.660 8.660 7.452 1.208 25443 547 1 1 . 1 1 100 100 GLU N N 100 118.796 118.796 119.976 -1.180 25443 548 1 1 . 1 1 100 100 GLU HA H 100 4.024 4.024 3.924 0.100 25443 549 1 1 . 1 1 100 100 GLU C C 100 178.571 178.571 178.219 0.352 25443 550 1 1 . 1 1 100 100 GLU CA C 100 59.400 59.400 59.082 0.318 25443 551 1 1 . 1 1 100 100 GLU CB C 100 29.660 29.660 29.719 -0.059 25443 552 1 1 . 1 1 100 100 GLU H H 100 8.263 8.263 8.784 -0.521 25443 553 1 1 . 1 1 101 101 ALA N N 101 123.346 123.346 121.380 1.966 25443 554 1 1 . 1 1 101 101 ALA HA H 101 4.244 4.244 3.997 0.247 25443 555 1 1 . 1 1 101 101 ALA C C 101 181.331 181.331 179.760 1.571 25443 556 1 1 . 1 1 101 101 ALA CA C 101 54.851 54.851 54.882 -0.031 25443 557 1 1 . 1 1 101 101 ALA CB C 101 18.559 18.559 18.398 0.162 25443 558 1 1 . 1 1 101 101 ALA H H 101 7.966 7.966 7.853 0.113 25443 559 1 1 . 1 1 102 102 VAL N N 102 120.241 120.241 118.493 1.748 25443 560 1 1 . 1 1 102 102 VAL HA H 102 3.713 3.713 3.605 0.108 25443 561 1 1 . 1 1 102 102 VAL C C 102 176.967 176.967 178.158 -1.191 25443 562 1 1 . 1 1 102 102 VAL CA C 102 67.433 67.433 66.390 1.043 25443 563 1 1 . 1 1 102 102 VAL CB C 102 31.721 31.721 31.735 -0.014 25443 564 1 1 . 1 1 102 102 VAL H H 102 8.331 8.331 7.515 0.816 25443 565 1 1 . 1 1 103 103 LYS N N 103 120.001 120.001 119.322 0.679 25443 566 1 1 . 1 1 103 103 LYS HA H 103 3.859 3.859 4.072 -0.213 25443 567 1 1 . 1 1 103 103 LYS C C 103 178.500 178.500 178.538 -0.038 25443 568 1 1 . 1 1 103 103 LYS CA C 103 59.652 59.652 58.651 1.001 25443 569 1 1 . 1 1 103 103 LYS CB C 103 32.040 32.040 31.505 0.535 25443 570 1 1 . 1 1 103 103 LYS H H 103 8.201 8.201 8.008 0.193 25443 571 1 1 . 1 1 104 104 GLU N N 104 116.335 116.335 119.355 -3.020 25443 572 1 1 . 1 1 104 104 GLU HA H 104 3.928 3.928 4.081 -0.153 25443 573 1 1 . 1 1 104 104 GLU C C 104 178.645 178.645 178.135 0.510 25443 574 1 1 . 1 1 104 104 GLU CA C 104 59.110 59.110 59.224 -0.114 25443 575 1 1 . 1 1 104 104 GLU CB C 104 29.607 29.607 29.106 0.501 25443 576 1 1 . 1 1 104 104 GLU H H 104 7.909 7.909 7.972 -0.063 25443 577 1 1 . 1 1 105 105 GLU N N 105 119.210 119.210 116.956 2.254 25443 578 1 1 . 1 1 105 105 GLU HA H 105 3.844 3.844 4.308 -0.464 25443 579 1 1 . 1 1 105 105 GLU C C 105 178.613 178.613 178.912 -0.299 25443 580 1 1 . 1 1 105 105 GLU CA C 105 58.162 58.162 57.521 0.641 25443 581 1 1 . 1 1 105 105 GLU CB C 105 29.754 29.754 29.989 -0.235 25443 582 1 1 . 1 1 105 105 GLU H H 105 7.257 7.257 7.746 -0.489 25443 583 1 1 . 1 1 106 106 LEU N N 106 117.408 117.408 119.555 -2.147 25443 584 1 1 . 1 1 106 106 LEU HA H 106 3.976 3.976 4.325 -0.349 25443 585 1 1 . 1 1 106 106 LEU C C 106 178.646 178.646 178.350 0.296 25443 586 1 1 . 1 1 106 106 LEU CA C 106 56.699 56.699 56.225 0.474 25443 587 1 1 . 1 1 106 106 LEU CB C 106 40.455 40.455 41.664 -1.209 25443 588 1 1 . 1 1 106 106 LEU H H 106 8.169 8.169 7.264 0.905 25443 589 1 1 . 1 1 107 107 ASP N N 107 119.073 119.073 120.665 -1.592 25443 590 1 1 . 1 1 107 107 ASP HA H 107 4.521 4.521 4.322 0.199 25443 591 1 1 . 1 1 107 107 ASP C C 107 177.069 177.069 177.539 -0.470 25443 592 1 1 . 1 1 107 107 ASP CA C 107 55.099 55.099 57.970 -2.871 25443 593 1 1 . 1 1 107 107 ASP CB C 107 40.670 40.670 40.781 -0.111 25443 594 1 1 . 1 1 107 107 ASP H H 107 8.003 8.003 8.399 -0.396 25443 595 1 1 . 1 1 108 108 ARG N N 108 120.705 120.705 117.066 3.639 25443 596 1 1 . 1 1 108 108 ARG HA H 108 4.067 4.067 4.111 -0.044 25443 597 1 1 . 1 1 108 108 ARG C C 108 176.990 176.990 177.444 -0.454 25443 598 1 1 . 1 1 108 108 ARG CA C 108 57.517 57.517 58.646 -1.129 25443 599 1 1 . 1 1 108 108 ARG CB C 108 30.407 30.407 29.916 0.491 25443 600 1 1 . 1 1 108 108 ARG H H 108 7.603 7.603 7.769 -0.166 25443 601 1 1 . 1 1 109 109 ASP N N 109 120.246 120.246 118.676 1.570 25443 602 1 1 . 1 1 109 109 ASP HA H 109 4.521 4.521 4.654 -0.133 25443 603 1 1 . 1 1 109 109 ASP C C 109 176.630 176.630 178.286 -1.656 25443 604 1 1 . 1 1 109 109 ASP CA C 109 55.028 55.028 55.586 -0.558 25443 605 1 1 . 1 1 109 109 ASP CB C 109 40.936 40.936 42.074 -1.138 25443 606 1 1 . 1 1 109 109 ASP H H 109 8.226 8.226 7.991 0.235 25443 607 1 1 . 1 1 110 110 ILE N N 110 120.386 120.386 120.956 -0.570 25443 608 1 1 . 1 1 110 110 ILE HA H 110 3.987 3.987 3.879 0.108 25443 609 1 1 . 1 1 110 110 ILE C C 110 176.996 176.996 177.512 -0.516 25443 610 1 1 . 1 1 110 110 ILE CA C 110 62.241 62.241 62.906 -0.665 25443 611 1 1 . 1 1 110 110 ILE CB C 110 38.359 38.359 36.627 1.732 25443 612 1 1 . 1 1 110 110 ILE H H 110 7.863 7.863 8.186 -0.323 25443 613 1 1 . 1 1 111 111 VAL N N 111 122.548 122.548 118.490 4.058 25443 614 1 1 . 1 1 111 111 VAL HA H 111 3.946 3.946 3.724 0.222 25443 615 1 1 . 1 1 111 111 VAL C C 111 176.938 176.938 176.025 0.913 25443 616 1 1 . 1 1 111 111 VAL CA C 111 63.499 63.499 64.924 -1.425 25443 617 1 1 . 1 1 111 111 VAL CB C 111 32.223 32.223 32.174 0.049 25443 618 1 1 . 1 1 111 111 VAL H H 111 8.016 8.016 7.885 0.131 25443 619 1 1 . 1 1 112 112 SER N N 112 117.984 117.984 113.905 4.079 25443 620 1 1 . 1 1 112 112 SER HA H 112 4.317 4.317 4.391 -0.074 25443 621 1 1 . 1 1 112 112 SER C C 112 175.154 175.154 173.749 1.405 25443 622 1 1 . 1 1 112 112 SER CA C 112 59.025 59.025 58.560 0.465 25443 623 1 1 . 1 1 112 112 SER CB C 112 63.419 63.419 62.965 0.454 25443 624 1 1 . 1 1 112 112 SER H H 112 8.187 8.187 7.623 0.564 25443 625 1 1 . 1 1 113 113 LYS N N 113 122.727 122.727 127.635 -4.908 25443 626 1 1 . 1 1 113 113 LYS HA H 113 4.209 4.209 4.507 -0.298 25443 627 1 1 . 1 1 113 113 LYS C C 113 176.713 176.713 176.579 0.134 25443 628 1 1 . 1 1 113 113 LYS CA C 113 56.844 56.844 55.687 1.157 25443 629 1 1 . 1 1 113 113 LYS CB C 113 32.794 32.794 34.108 -1.314 25443 630 1 1 . 1 1 113 113 LYS H H 113 8.152 8.152 7.805 0.347 25443 631 1 1 . 1 1 114 114 ASN N N 114 118.886 118.886 120.551 -1.665 25443 632 1 1 . 1 1 114 114 ASN C C 114 175.227 175.227 175.476 -0.249 25443 633 1 1 . 1 1 114 114 ASN CA C 114 53.549 53.549 53.581 -0.032 25443 634 1 1 . 1 1 114 114 ASN H H 114 8.261 8.261 8.482 -0.221 25443 635 1 1 . 1 1 115 115 ASN N N 115 119.345 119.345 115.951 3.394 25443 636 1 1 . 1 1 115 115 ASN C C 115 174.896 174.896 174.176 0.720 25443 637 1 1 . 1 1 115 115 ASN CA C 115 53.476 53.476 53.289 0.187 25443 638 1 1 . 1 1 115 115 ASN H H 115 8.257 8.257 8.631 -0.374 25443 639 1 1 . 1 1 116 116 ALA N N 116 123.669 123.669 125.152 -1.483 25443 640 1 1 . 1 1 116 116 ALA HA H 116 4.254 4.254 4.404 -0.150 25443 641 1 1 . 1 1 116 116 ALA C C 116 177.567 177.567 178.163 -0.596 25443 642 1 1 . 1 1 116 116 ALA CA C 116 52.678 52.678 51.913 0.765 25443 643 1 1 . 1 1 116 116 ALA CB C 116 19.243 19.243 18.834 0.409 25443 644 1 1 . 1 1 116 116 ALA H H 116 8.094 8.094 8.452 -0.358 25443 645 1 1 . 1 1 117 117 GLU N N 117 120.083 120.083 120.522 -0.439 25443 646 1 1 . 1 1 117 117 GLU C C 117 175.564 175.564 175.712 -0.148 25443 647 1 1 . 1 1 117 117 GLU CA C 117 56.602 56.602 57.317 -0.715 25443 648 1 1 . 1 1 117 117 GLU H H 117 8.221 8.221 8.656 -0.435 25443 649 1 2 . 1 1 2 2 ALA HA H 2 4.286 4.286 4.769 -0.483 25443 650 1 2 . 1 1 2 2 ALA C C 2 177.853 177.853 178.601 -0.748 25443 651 1 2 . 1 1 2 2 ALA CA C 2 52.661 52.661 51.732 0.929 25443 652 1 2 . 1 1 2 2 ALA CB C 2 19.308 19.308 19.436 -0.128 25443 653 1 2 . 1 1 3 3 MET N N 3 119.404 119.404 117.660 1.744 25443 654 1 2 . 1 1 3 3 MET HA H 3 4.435 4.435 4.319 0.116 25443 655 1 2 . 1 1 3 3 MET C C 3 176.731 176.731 177.621 -0.890 25443 656 1 2 . 1 1 3 3 MET CA C 3 55.503 55.503 57.610 -2.107 25443 657 1 2 . 1 1 3 3 MET CB C 3 32.795 32.795 32.247 0.548 25443 658 1 2 . 1 1 3 3 MET H H 3 8.530 8.530 8.095 0.435 25443 659 1 2 . 1 1 4 4 GLY N N 4 109.968 109.968 107.336 2.632 25443 660 1 2 . 1 1 4 4 GLY C C 4 174.057 174.057 175.112 -1.055 25443 661 1 2 . 1 1 4 4 GLY CA C 4 45.363 45.363 46.560 -1.197 25443 662 1 2 . 1 1 4 4 GLY H H 4 8.414 8.414 8.762 -0.348 25443 663 1 2 . 1 1 5 5 ASN N N 5 118.659 118.659 116.600 2.059 25443 664 1 2 . 1 1 5 5 ASN HA H 5 4.606 4.606 4.665 -0.059 25443 665 1 2 . 1 1 5 5 ASN C C 5 175.443 175.443 175.499 -0.056 25443 666 1 2 . 1 1 5 5 ASN CA C 5 53.530 53.530 53.865 -0.335 25443 667 1 2 . 1 1 5 5 ASN CB C 5 38.876 38.876 38.280 0.596 25443 668 1 2 . 1 1 5 5 ASN H H 5 8.326 8.326 7.772 0.554 25443 669 1 2 . 1 1 6 6 GLU N N 6 120.909 120.909 120.243 0.666 25443 670 1 2 . 1 1 6 6 GLU HA H 6 4.097 4.097 4.141 -0.044 25443 671 1 2 . 1 1 6 6 GLU C C 6 176.261 176.261 176.644 -0.383 25443 672 1 2 . 1 1 6 6 GLU CA C 6 57.171 57.171 57.701 -0.530 25443 673 1 2 . 1 1 6 6 GLU CB C 6 29.715 29.715 31.008 -1.292 25443 674 1 2 . 1 1 6 6 GLU H H 6 8.633 8.633 7.549 1.084 25443 675 1 2 . 1 1 7 7 TYR N N 7 120.283 120.283 117.627 2.656 25443 676 1 2 . 1 1 7 7 TYR HA H 7 4.440 4.440 4.626 -0.186 25443 677 1 2 . 1 1 7 7 TYR C C 7 175.789 175.789 176.236 -0.447 25443 678 1 2 . 1 1 7 7 TYR CA C 7 58.061 58.061 57.438 0.623 25443 679 1 2 . 1 1 7 7 TYR CB C 7 38.193 38.193 39.897 -1.704 25443 680 1 2 . 1 1 7 7 TYR H H 7 8.069 8.069 7.840 0.229 25443 681 1 2 . 1 1 8 8 LYS N N 8 121.780 121.780 121.801 -0.021 25443 682 1 2 . 1 1 8 8 LYS HA H 8 4.107 4.107 4.377 -0.270 25443 683 1 2 . 1 1 8 8 LYS C C 8 175.970 175.970 176.514 -0.544 25443 684 1 2 . 1 1 8 8 LYS CA C 8 56.550 56.550 56.543 0.007 25443 685 1 2 . 1 1 8 8 LYS CB C 8 33.141 33.141 31.671 1.470 25443 686 1 2 . 1 1 8 8 LYS H H 8 7.868 7.868 9.317 -1.449 25443 687 1 2 . 1 1 9 9 ASP N N 9 119.825 119.825 124.028 -4.203 25443 688 1 2 . 1 1 9 9 ASP HA H 9 4.577 4.577 4.525 0.052 25443 689 1 2 . 1 1 9 9 ASP C C 9 175.979 175.979 176.536 -0.557 25443 690 1 2 . 1 1 9 9 ASP CA C 9 54.608 54.608 56.081 -1.473 25443 691 1 2 . 1 1 9 9 ASP CB C 9 41.455 41.455 41.417 0.038 25443 692 1 2 . 1 1 9 9 ASP H H 9 8.164 8.164 8.251 -0.087 25443 693 1 2 . 1 1 10 10 ASN N N 10 119.410 119.410 117.201 2.209 25443 694 1 2 . 1 1 10 10 ASN HA H 10 4.935 4.935 5.158 -0.223 25443 695 1 2 . 1 1 10 10 ASN C C 10 174.654 174.654 174.515 0.139 25443 696 1 2 . 1 1 10 10 ASN CA C 10 52.792 52.792 53.400 -0.608 25443 697 1 2 . 1 1 10 10 ASN CB C 10 38.554 38.554 38.381 0.173 25443 698 1 2 . 1 1 10 10 ASN H H 10 8.284 8.284 8.449 -0.165 25443 699 1 2 . 1 1 11 11 ALA N N 11 122.716 122.716 123.199 -0.483 25443 700 1 2 . 1 1 11 11 ALA HA H 11 4.521 4.521 4.486 0.035 25443 701 1 2 . 1 1 11 11 ALA CA C 11 53.148 53.148 52.253 0.895 25443 702 1 2 . 1 1 11 11 ALA CB C 11 19.223 19.223 18.509 0.714 25443 703 1 2 . 1 1 11 11 ALA H H 11 8.260 8.260 7.317 0.943 25443 704 1 2 . 1 1 12 12 TYR HA H 12 4.943 4.943 6.038 -1.095 25443 705 1 2 . 1 1 12 12 TYR C C 12 177.075 177.075 175.587 1.488 25443 706 1 2 . 1 1 12 12 TYR CA C 12 57.314 57.314 56.410 0.904 25443 707 1 2 . 1 1 12 12 TYR CB C 12 42.614 42.614 43.590 -0.976 25443 708 1 2 . 1 1 13 13 ILE N N 13 114.211 114.211 114.896 -0.685 25443 709 1 2 . 1 1 13 13 ILE HA H 13 4.981 4.981 4.914 0.067 25443 710 1 2 . 1 1 13 13 ILE C C 13 174.500 174.500 173.846 0.654 25443 711 1 2 . 1 1 13 13 ILE CA C 13 60.380 60.380 60.198 0.182 25443 712 1 2 . 1 1 13 13 ILE CB C 13 39.792 39.792 42.010 -2.218 25443 713 1 2 . 1 1 13 13 ILE H H 13 9.358 9.358 8.792 0.566 25443 714 1 2 . 1 1 14 14 TYR N N 14 124.891 124.891 127.851 -2.960 25443 715 1 2 . 1 1 14 14 TYR HA H 14 4.579 4.579 4.874 -0.295 25443 716 1 2 . 1 1 14 14 TYR C C 14 173.192 173.192 174.343 -1.151 25443 717 1 2 . 1 1 14 14 TYR CA C 14 56.202 56.202 56.722 -0.520 25443 718 1 2 . 1 1 14 14 TYR CB C 14 40.163 40.163 39.360 0.803 25443 719 1 2 . 1 1 14 14 TYR H H 14 9.163 9.163 9.281 -0.118 25443 720 1 2 . 1 1 15 15 ILE N N 15 127.801 127.801 128.023 -0.222 25443 721 1 2 . 1 1 15 15 ILE HA H 15 4.210 4.210 4.216 -0.006 25443 722 1 2 . 1 1 15 15 ILE C C 15 173.823 173.823 176.126 -2.303 25443 723 1 2 . 1 1 15 15 ILE CA C 15 59.616 59.616 58.834 0.782 25443 724 1 2 . 1 1 15 15 ILE CB C 15 39.735 39.735 36.895 2.840 25443 725 1 2 . 1 1 15 15 ILE H H 15 8.569 8.569 8.466 0.103 25443 726 1 2 . 1 1 16 16 GLY N N 16 112.441 112.441 113.758 -1.317 25443 727 1 2 . 1 1 16 16 GLY C C 16 173.159 173.159 173.636 -0.477 25443 728 1 2 . 1 1 16 16 GLY CA C 16 43.244 43.244 42.984 0.260 25443 729 1 2 . 1 1 16 16 GLY H H 16 9.354 9.354 8.200 1.154 25443 730 1 2 . 1 1 17 17 ASN N N 17 114.797 114.797 119.323 -4.526 25443 731 1 2 . 1 1 17 17 ASN HA H 17 4.347 4.347 4.715 -0.368 25443 732 1 2 . 1 1 17 17 ASN C C 17 174.834 174.834 175.455 -0.621 25443 733 1 2 . 1 1 17 17 ASN CA C 17 53.214 53.214 54.024 -0.810 25443 734 1 2 . 1 1 17 17 ASN CB C 17 37.826 37.826 37.930 -0.104 25443 735 1 2 . 1 1 17 17 ASN H H 17 8.552 8.552 8.605 -0.053 25443 736 1 2 . 1 1 18 18 LEU N N 18 114.526 114.526 125.604 -11.078 25443 737 1 2 . 1 1 18 18 LEU HA H 18 3.994 3.994 4.531 -0.537 25443 738 1 2 . 1 1 18 18 LEU C C 18 177.948 177.948 175.774 2.174 25443 739 1 2 . 1 1 18 18 LEU CA C 18 53.772 53.772 53.580 0.192 25443 740 1 2 . 1 1 18 18 LEU CB C 18 42.385 42.385 44.561 -2.176 25443 741 1 2 . 1 1 18 18 LEU H H 18 7.743 7.743 7.996 -0.253 25443 742 1 2 . 1 1 19 19 ASN N N 19 122.718 122.718 117.351 5.367 25443 743 1 2 . 1 1 19 19 ASN HA H 19 4.302 4.302 4.831 -0.529 25443 744 1 2 . 1 1 19 19 ASN C C 19 178.040 178.040 176.486 1.554 25443 745 1 2 . 1 1 19 19 ASN CA C 19 54.421 54.421 51.717 2.704 25443 746 1 2 . 1 1 19 19 ASN CB C 19 38.580 38.580 39.746 -1.167 25443 747 1 2 . 1 1 19 19 ASN H H 19 8.758 8.758 8.534 0.224 25443 748 1 2 . 1 1 20 20 ARG N N 20 128.821 128.821 125.099 3.722 25443 749 1 2 . 1 1 20 20 ARG HA H 20 3.790 3.790 4.157 -0.367 25443 750 1 2 . 1 1 20 20 ARG C C 20 175.566 175.566 176.613 -1.047 25443 751 1 2 . 1 1 20 20 ARG CA C 20 58.775 58.775 58.372 0.403 25443 752 1 2 . 1 1 20 20 ARG CB C 20 29.642 29.642 29.436 0.206 25443 753 1 2 . 1 1 20 20 ARG H H 20 8.997 8.997 8.889 0.108 25443 754 1 2 . 1 1 21 21 GLU N N 21 117.438 117.438 118.017 -0.579 25443 755 1 2 . 1 1 21 21 GLU HA H 21 4.214 4.214 4.294 -0.080 25443 756 1 2 . 1 1 21 21 GLU C C 21 177.076 177.076 176.090 0.986 25443 757 1 2 . 1 1 21 21 GLU CA C 21 56.677 56.677 56.455 0.222 25443 758 1 2 . 1 1 21 21 GLU CB C 21 30.451 30.451 30.062 0.389 25443 759 1 2 . 1 1 21 21 GLU H H 21 9.043 9.043 8.226 0.817 25443 760 1 2 . 1 1 22 22 LEU N N 22 116.311 116.311 123.215 -6.904 25443 761 1 2 . 1 1 22 22 LEU HA H 22 4.491 4.491 4.473 0.018 25443 762 1 2 . 1 1 22 22 LEU C C 22 178.389 178.389 175.306 3.083 25443 763 1 2 . 1 1 22 22 LEU CA C 22 55.496 55.496 54.287 1.209 25443 764 1 2 . 1 1 22 22 LEU CB C 22 42.148 42.148 42.487 -0.339 25443 765 1 2 . 1 1 22 22 LEU H H 22 7.183 7.183 7.516 -0.333 25443 766 1 2 . 1 1 23 23 THR N N 23 113.850 113.850 116.338 -2.488 25443 767 1 2 . 1 1 23 23 THR HA H 23 4.289 4.289 4.573 -0.284 25443 768 1 2 . 1 1 23 23 THR C C 23 175.229 175.229 175.499 -0.270 25443 769 1 2 . 1 1 23 23 THR CA C 23 59.895 59.895 59.896 -0.001 25443 770 1 2 . 1 1 23 23 THR CB C 23 71.989 71.989 71.424 0.565 25443 771 1 2 . 1 1 23 23 THR H H 23 8.743 8.743 7.899 0.844 25443 772 1 2 . 1 1 24 24 GLU N N 24 119.724 119.724 121.065 -1.341 25443 773 1 2 . 1 1 24 24 GLU HA H 24 3.591 3.591 3.958 -0.367 25443 774 1 2 . 1 1 24 24 GLU C C 24 178.597 178.597 178.953 -0.356 25443 775 1 2 . 1 1 24 24 GLU CA C 24 63.490 63.490 60.870 2.620 25443 776 1 2 . 1 1 24 24 GLU CB C 24 27.433 27.433 28.775 -1.342 25443 777 1 2 . 1 1 24 24 GLU H H 24 9.641 9.641 8.986 0.655 25443 778 1 2 . 1 1 25 25 GLY N N 25 104.430 104.430 107.575 -3.145 25443 779 1 2 . 1 1 25 25 GLY C C 25 175.425 175.425 176.058 -0.633 25443 780 1 2 . 1 1 25 25 GLY CA C 25 47.334 47.334 46.954 0.380 25443 781 1 2 . 1 1 25 25 GLY H H 25 8.423 8.423 8.630 -0.207 25443 782 1 2 . 1 1 26 26 ASP N N 26 123.128 123.128 123.363 -0.235 25443 783 1 2 . 1 1 26 26 ASP HA H 26 4.530 4.530 4.563 -0.033 25443 784 1 2 . 1 1 26 26 ASP C C 26 177.878 177.878 178.404 -0.526 25443 785 1 2 . 1 1 26 26 ASP CA C 26 57.429 57.429 56.657 0.771 25443 786 1 2 . 1 1 26 26 ASP CB C 26 41.612 41.612 41.086 0.526 25443 787 1 2 . 1 1 26 26 ASP H H 26 7.859 7.859 7.615 0.244 25443 788 1 2 . 1 1 27 27 ILE N N 27 118.864 118.864 120.865 -2.001 25443 789 1 2 . 1 1 27 27 ILE HA H 27 3.534 3.534 3.767 -0.233 25443 790 1 2 . 1 1 27 27 ILE C C 27 178.225 178.225 178.373 -0.148 25443 791 1 2 . 1 1 27 27 ILE CA C 27 65.627 65.627 65.326 0.301 25443 792 1 2 . 1 1 27 27 ILE CB C 27 37.614 37.614 38.061 -0.447 25443 793 1 2 . 1 1 27 27 ILE H H 27 8.055 8.055 7.877 0.178 25443 794 1 2 . 1 1 28 28 LEU N N 28 119.416 119.416 118.896 0.520 25443 795 1 2 . 1 1 28 28 LEU HA H 28 3.861 3.861 4.034 -0.173 25443 796 1 2 . 1 1 28 28 LEU C C 28 179.884 179.884 179.141 0.743 25443 797 1 2 . 1 1 28 28 LEU CA C 28 58.758 58.758 57.539 1.219 25443 798 1 2 . 1 1 28 28 LEU CB C 28 41.137 41.137 41.260 -0.123 25443 799 1 2 . 1 1 28 28 LEU H H 28 8.423 8.423 8.491 -0.068 25443 800 1 2 . 1 1 29 29 THR N N 29 119.586 119.586 116.355 3.231 25443 801 1 2 . 1 1 29 29 THR HA H 29 3.790 3.790 3.901 -0.111 25443 802 1 2 . 1 1 29 29 THR C C 29 176.530 176.530 176.662 -0.132 25443 803 1 2 . 1 1 29 29 THR CA C 29 67.322 67.322 67.233 0.089 25443 804 1 2 . 1 1 29 29 THR CB C 29 68.372 68.372 68.750 -0.378 25443 805 1 2 . 1 1 29 29 THR H H 29 8.552 8.552 7.681 0.871 25443 806 1 2 . 1 1 30 30 VAL N N 30 119.948 119.948 117.217 2.731 25443 807 1 2 . 1 1 30 30 VAL HA H 30 3.601 3.601 3.686 -0.085 25443 808 1 2 . 1 1 30 30 VAL C C 30 178.670 178.670 177.425 1.245 25443 809 1 2 . 1 1 30 30 VAL CA C 30 66.081 66.081 65.326 0.755 25443 810 1 2 . 1 1 30 30 VAL CB C 30 32.993 32.993 31.325 1.669 25443 811 1 2 . 1 1 30 30 VAL H H 30 7.959 7.959 7.580 0.380 25443 812 1 2 . 1 1 31 31 PHE N N 31 113.636 113.636 119.139 -5.503 25443 813 1 2 . 1 1 31 31 PHE HA H 31 4.006 4.006 4.527 -0.521 25443 814 1 2 . 1 1 31 31 PHE C C 31 180.133 180.133 177.769 2.364 25443 815 1 2 . 1 1 31 31 PHE CA C 31 62.266 62.266 60.999 1.267 25443 816 1 2 . 1 1 31 31 PHE CB C 31 37.711 37.711 38.888 -1.177 25443 817 1 2 . 1 1 31 31 PHE H H 31 8.726 8.726 7.972 0.754 25443 818 1 2 . 1 1 32 32 SER N N 32 119.746 119.746 115.584 4.162 25443 819 1 2 . 1 1 32 32 SER HA H 32 5.107 5.107 4.237 0.870 25443 820 1 2 . 1 1 32 32 SER C C 32 173.450 173.450 176.422 -2.972 25443 821 1 2 . 1 1 32 32 SER CA C 32 61.440 61.440 60.605 0.835 25443 822 1 2 . 1 1 32 32 SER CB C 32 62.690 62.690 62.546 0.144 25443 823 1 2 . 1 1 32 32 SER H H 32 8.564 8.564 8.398 0.166 25443 824 1 2 . 1 1 33 33 GLU N N 33 118.689 118.689 122.207 -3.518 25443 825 1 2 . 1 1 33 33 GLU HA H 33 3.854 3.854 3.957 -0.103 25443 826 1 2 . 1 1 33 33 GLU C C 33 176.471 176.471 177.261 -0.790 25443 827 1 2 . 1 1 33 33 GLU CA C 33 57.997 57.997 58.303 -0.306 25443 828 1 2 . 1 1 33 33 GLU CB C 33 29.503 29.503 29.128 0.375 25443 829 1 2 . 1 1 33 33 GLU H H 33 6.733 6.733 7.498 -0.765 25443 830 1 2 . 1 1 34 34 TYR N N 34 111.313 111.313 117.376 -6.063 25443 831 1 2 . 1 1 34 34 TYR HA H 34 4.469 4.469 4.534 -0.065 25443 832 1 2 . 1 1 34 34 TYR C C 34 174.351 174.351 176.201 -1.850 25443 833 1 2 . 1 1 34 34 TYR CA C 34 57.940 57.940 57.746 0.194 25443 834 1 2 . 1 1 34 34 TYR CB C 34 39.557 39.557 38.334 1.223 25443 835 1 2 . 1 1 34 34 TYR H H 34 6.662 6.662 7.304 -0.642 25443 836 1 2 . 1 1 35 35 GLY N N 35 106.055 106.055 107.052 -0.997 25443 837 1 2 . 1 1 35 35 GLY C C 35 170.709 170.709 174.108 -3.399 25443 838 1 2 . 1 1 35 35 GLY CA C 35 45.230 45.230 45.828 -0.598 25443 839 1 2 . 1 1 35 35 GLY H H 35 7.302 7.302 8.074 -0.772 25443 840 1 2 . 1 1 36 36 VAL N N 36 121.596 121.596 121.437 0.159 25443 841 1 2 . 1 1 36 36 VAL HA H 36 4.492 4.492 4.418 0.074 25443 842 1 2 . 1 1 36 36 VAL CA C 36 59.912 59.912 58.913 0.999 25443 843 1 2 . 1 1 36 36 VAL CB C 36 33.632 33.632 33.367 0.265 25443 844 1 2 . 1 1 36 36 VAL H H 36 8.595 8.595 7.776 0.819 25443 845 1 2 . 1 1 37 37 PRO HA H 37 4.499 4.499 4.639 -0.140 25443 846 1 2 . 1 1 37 37 PRO C C 37 176.150 176.150 176.033 0.117 25443 847 1 2 . 1 1 37 37 PRO CA C 37 62.320 62.320 62.717 -0.397 25443 848 1 2 . 1 1 37 37 PRO CB C 37 31.945 31.945 31.858 0.087 25443 849 1 2 . 1 1 38 38 VAL N N 38 114.135 114.135 122.953 -8.818 25443 850 1 2 . 1 1 38 38 VAL HA H 38 4.436 4.436 4.609 -0.173 25443 851 1 2 . 1 1 38 38 VAL C C 38 175.124 175.124 175.174 -0.050 25443 852 1 2 . 1 1 38 38 VAL CA C 38 60.488 60.488 59.520 0.968 25443 853 1 2 . 1 1 38 38 VAL CB C 38 32.560 32.560 34.675 -2.115 25443 854 1 2 . 1 1 38 38 VAL H H 38 9.006 9.006 8.194 0.812 25443 855 1 2 . 1 1 39 39 ASP N N 39 118.095 118.095 122.613 -4.518 25443 856 1 2 . 1 1 39 39 ASP HA H 39 4.626 4.626 4.702 -0.076 25443 857 1 2 . 1 1 39 39 ASP C C 39 174.577 174.577 174.795 -0.218 25443 858 1 2 . 1 1 39 39 ASP CA C 39 54.706 54.706 54.635 0.071 25443 859 1 2 . 1 1 39 39 ASP CB C 39 43.495 43.495 42.299 1.196 25443 860 1 2 . 1 1 39 39 ASP H H 39 7.454 7.454 8.205 -0.751 25443 861 1 2 . 1 1 40 40 VAL N N 40 121.566 121.566 121.867 -0.301 25443 862 1 2 . 1 1 40 40 VAL HA H 40 4.897 4.897 4.412 0.485 25443 863 1 2 . 1 1 40 40 VAL C C 40 170.928 170.928 174.571 -3.643 25443 864 1 2 . 1 1 40 40 VAL CA C 40 60.729 60.729 60.814 -0.085 25443 865 1 2 . 1 1 40 40 VAL CB C 40 34.373 34.373 34.782 -0.409 25443 866 1 2 . 1 1 40 40 VAL H H 40 7.576 7.576 8.313 -0.737 25443 867 1 2 . 1 1 41 41 ILE N N 41 125.247 125.247 129.095 -3.848 25443 868 1 2 . 1 1 41 41 ILE HA H 41 4.752 4.752 4.368 0.384 25443 869 1 2 . 1 1 41 41 ILE C C 41 175.440 175.440 173.941 1.499 25443 870 1 2 . 1 1 41 41 ILE CA C 41 61.609 61.609 60.032 1.577 25443 871 1 2 . 1 1 41 41 ILE H H 41 8.929 8.929 9.187 -0.258 25443 872 1 2 . 1 1 42 42 LEU N N 42 128.791 128.791 128.862 -0.071 25443 873 1 2 . 1 1 42 42 LEU HA H 42 4.387 4.387 4.546 -0.159 25443 874 1 2 . 1 1 42 42 LEU C C 42 174.979 174.979 175.530 -0.551 25443 875 1 2 . 1 1 42 42 LEU CA C 42 53.345 53.345 54.072 -0.727 25443 876 1 2 . 1 1 42 42 LEU CB C 42 43.298 43.298 44.056 -0.758 25443 877 1 2 . 1 1 42 42 LEU H H 42 8.309 8.309 8.078 0.231 25443 878 1 2 . 1 1 43 43 SER N N 43 122.753 122.753 123.011 -0.258 25443 879 1 2 . 1 1 43 43 SER HA H 43 3.821 3.821 4.382 -0.561 25443 880 1 2 . 1 1 43 43 SER C C 43 173.870 173.870 172.925 0.945 25443 881 1 2 . 1 1 43 43 SER CA C 43 59.707 59.707 59.008 0.699 25443 882 1 2 . 1 1 43 43 SER CB C 43 62.714 62.714 62.348 0.366 25443 883 1 2 . 1 1 43 43 SER H H 43 8.317 8.317 8.274 0.043 25443 884 1 2 . 1 1 44 44 ARG N N 44 128.068 128.068 125.052 3.016 25443 885 1 2 . 1 1 44 44 ARG HA H 44 4.763 4.763 5.174 -0.411 25443 886 1 2 . 1 1 44 44 ARG C C 44 175.094 175.094 175.703 -0.609 25443 887 1 2 . 1 1 44 44 ARG CA C 44 54.100 54.100 52.758 1.343 25443 888 1 2 . 1 1 44 44 ARG CB C 44 34.218 34.218 31.923 2.295 25443 889 1 2 . 1 1 44 44 ARG H H 44 8.152 8.152 7.911 0.241 25443 890 1 2 . 1 1 45 45 ASP N N 45 123.595 123.595 121.860 1.735 25443 891 1 2 . 1 1 45 45 ASP HA H 45 4.172 4.172 4.472 -0.300 25443 892 1 2 . 1 1 45 45 ASP C C 45 177.467 177.467 177.293 0.174 25443 893 1 2 . 1 1 45 45 ASP CA C 45 54.898 54.898 54.748 0.149 25443 894 1 2 . 1 1 45 45 ASP CB C 45 43.568 43.568 42.725 0.843 25443 895 1 2 . 1 1 45 45 ASP H H 45 8.628 8.628 8.785 -0.157 25443 896 1 2 . 1 1 46 46 GLU N N 46 125.161 125.161 124.528 0.633 25443 897 1 2 . 1 1 46 46 GLU HA H 46 3.843 3.843 4.153 -0.310 25443 898 1 2 . 1 1 46 46 GLU C C 46 175.690 175.690 176.518 -0.828 25443 899 1 2 . 1 1 46 46 GLU CA C 46 58.861 58.861 58.292 0.569 25443 900 1 2 . 1 1 46 46 GLU CB C 46 29.636 29.636 29.854 -0.218 25443 901 1 2 . 1 1 46 46 GLU H H 46 9.013 9.013 8.793 0.221 25443 902 1 2 . 1 1 47 47 ASN N N 47 115.135 115.135 117.250 -2.115 25443 903 1 2 . 1 1 47 47 ASN HA H 47 4.842 4.842 4.671 0.171 25443 904 1 2 . 1 1 47 47 ASN C C 47 176.655 176.655 176.352 0.303 25443 905 1 2 . 1 1 47 47 ASN CA C 47 54.897 54.897 54.996 -0.099 25443 906 1 2 . 1 1 47 47 ASN CB C 47 40.141 40.141 38.779 1.362 25443 907 1 2 . 1 1 47 47 ASN H H 47 8.926 8.926 8.372 0.554 25443 908 1 2 . 1 1 48 48 THR N N 48 107.544 107.544 111.142 -3.598 25443 909 1 2 . 1 1 48 48 THR HA H 48 4.400 4.400 4.550 -0.150 25443 910 1 2 . 1 1 48 48 THR C C 48 176.484 176.484 175.092 1.392 25443 911 1 2 . 1 1 48 48 THR CA C 48 61.513 61.513 62.337 -0.824 25443 912 1 2 . 1 1 48 48 THR CB C 48 71.189 71.189 70.339 0.850 25443 913 1 2 . 1 1 48 48 THR H H 48 8.455 8.455 8.938 -0.483 25443 914 1 2 . 1 1 49 49 GLY N N 49 111.753 111.753 110.166 1.587 25443 915 1 2 . 1 1 49 49 GLY C C 49 173.167 173.167 174.245 -1.078 25443 916 1 2 . 1 1 49 49 GLY CA C 49 45.628 45.628 44.831 0.797 25443 917 1 2 . 1 1 49 49 GLY H H 49 8.607 8.607 7.786 0.821 25443 918 1 2 . 1 1 50 50 GLU N N 50 119.978 119.978 119.797 0.181 25443 919 1 2 . 1 1 50 50 GLU HA H 50 4.071 4.071 4.358 -0.287 25443 920 1 2 . 1 1 50 50 GLU C C 50 176.629 176.629 176.106 0.523 25443 921 1 2 . 1 1 50 50 GLU CA C 50 56.500 56.500 55.971 0.529 25443 922 1 2 . 1 1 50 50 GLU CB C 50 30.927 30.927 31.058 -0.131 25443 923 1 2 . 1 1 50 50 GLU H H 50 7.796 7.796 7.908 -0.112 25443 924 1 2 . 1 1 51 51 SER N N 51 115.672 115.672 115.081 0.591 25443 925 1 2 . 1 1 51 51 SER HA H 51 4.205 4.205 4.570 -0.365 25443 926 1 2 . 1 1 51 51 SER C C 51 176.532 176.532 175.378 1.154 25443 927 1 2 . 1 1 51 51 SER CA C 51 58.320 58.320 58.367 -0.047 25443 928 1 2 . 1 1 51 51 SER CB C 51 64.596 64.596 63.646 0.950 25443 929 1 2 . 1 1 51 51 SER H H 51 8.889 8.889 8.867 0.022 25443 930 1 2 . 1 1 52 52 GLN N N 52 123.139 123.139 127.123 -3.984 25443 931 1 2 . 1 1 52 52 GLN HA H 52 4.421 4.421 4.261 0.160 25443 932 1 2 . 1 1 52 52 GLN C C 52 177.396 177.396 176.903 0.493 25443 933 1 2 . 1 1 52 52 GLN CA C 52 55.051 55.051 56.483 -1.432 25443 934 1 2 . 1 1 52 52 GLN CB C 52 29.874 29.874 29.156 0.718 25443 935 1 2 . 1 1 52 52 GLN H H 52 9.078 9.078 8.786 0.292 25443 936 1 2 . 1 1 53 53 GLY N N 53 105.904 105.904 106.819 -0.915 25443 937 1 2 . 1 1 53 53 GLY C C 53 172.046 172.046 173.464 -1.418 25443 938 1 2 . 1 1 53 53 GLY CA C 53 46.550 46.550 44.850 1.700 25443 939 1 2 . 1 1 53 53 GLY H H 53 8.851 8.851 7.814 1.038 25443 940 1 2 . 1 1 54 54 PHE N N 54 111.888 111.888 113.906 -2.018 25443 941 1 2 . 1 1 54 54 PHE HA H 54 5.253 5.253 5.132 0.121 25443 942 1 2 . 1 1 54 54 PHE C C 54 171.570 171.570 172.516 -0.946 25443 943 1 2 . 1 1 54 54 PHE CA C 54 55.592 55.592 55.093 0.499 25443 944 1 2 . 1 1 54 54 PHE CB C 54 40.806 40.806 40.389 0.417 25443 945 1 2 . 1 1 54 54 PHE H H 54 6.827 6.827 7.113 -0.286 25443 946 1 2 . 1 1 55 55 ALA N N 55 121.888 121.888 119.050 2.838 25443 947 1 2 . 1 1 55 55 ALA HA H 55 5.032 5.032 4.601 0.431 25443 948 1 2 . 1 1 55 55 ALA C C 55 172.957 172.957 174.394 -1.437 25443 949 1 2 . 1 1 55 55 ALA CA C 55 49.477 49.477 50.882 -1.405 25443 950 1 2 . 1 1 55 55 ALA H H 55 8.927 8.927 7.891 1.036 25443 951 1 2 . 1 1 56 56 TYR N N 56 115.049 115.049 116.824 -1.775 25443 952 1 2 . 1 1 56 56 TYR HA H 56 5.602 5.602 5.677 -0.075 25443 953 1 2 . 1 1 56 56 TYR C C 56 175.162 175.162 174.354 0.808 25443 954 1 2 . 1 1 56 56 TYR CA C 56 55.444 55.444 56.774 -1.330 25443 955 1 2 . 1 1 56 56 TYR CB C 56 42.189 42.189 42.159 0.030 25443 956 1 2 . 1 1 56 56 TYR H H 56 9.020 9.020 9.017 0.003 25443 957 1 2 . 1 1 57 57 LEU N N 57 122.745 122.745 124.419 -1.674 25443 958 1 2 . 1 1 57 57 LEU HA H 57 4.713 4.713 4.805 -0.092 25443 959 1 2 . 1 1 57 57 LEU C C 57 172.371 172.371 174.778 -2.407 25443 960 1 2 . 1 1 57 57 LEU CA C 57 54.712 54.712 53.745 0.967 25443 961 1 2 . 1 1 57 57 LEU CB C 57 46.754 46.754 45.539 1.215 25443 962 1 2 . 1 1 57 57 LEU H H 57 8.706 8.706 8.751 -0.045 25443 963 1 2 . 1 1 58 58 LYS N N 58 125.469 125.469 126.563 -1.094 25443 964 1 2 . 1 1 58 58 LYS HA H 58 4.467 4.467 4.990 -0.523 25443 965 1 2 . 1 1 58 58 LYS C C 58 175.152 175.152 174.828 0.324 25443 966 1 2 . 1 1 58 58 LYS CA C 58 54.494 54.494 53.830 0.664 25443 967 1 2 . 1 1 58 58 LYS CB C 58 36.479 36.479 34.156 2.323 25443 968 1 2 . 1 1 58 58 LYS H H 58 7.948 7.948 8.720 -0.772 25443 969 1 2 . 1 1 59 59 TYR N N 59 126.261 126.261 123.456 2.805 25443 970 1 2 . 1 1 59 59 TYR HA H 59 5.003 5.003 4.840 0.163 25443 971 1 2 . 1 1 59 59 TYR C C 59 176.020 176.020 174.115 1.905 25443 972 1 2 . 1 1 59 59 TYR CA C 59 57.992 57.992 55.315 2.677 25443 973 1 2 . 1 1 59 59 TYR CB C 59 41.715 41.715 39.183 2.532 25443 974 1 2 . 1 1 59 59 TYR H H 59 8.957 8.957 7.879 1.078 25443 975 1 2 . 1 1 60 60 GLU N N 60 120.342 120.342 119.690 0.652 25443 976 1 2 . 1 1 60 60 GLU HA H 60 3.839 3.839 4.047 -0.208 25443 977 1 2 . 1 1 60 60 GLU C C 60 175.346 175.346 176.179 -0.833 25443 978 1 2 . 1 1 60 60 GLU CA C 60 59.057 59.057 56.695 2.362 25443 979 1 2 . 1 1 60 60 GLU CB C 60 30.653 30.653 30.043 0.610 25443 980 1 2 . 1 1 60 60 GLU H H 60 8.845 8.845 8.639 0.206 25443 981 1 2 . 1 1 61 61 ASP N N 61 116.193 116.193 119.247 -3.054 25443 982 1 2 . 1 1 61 61 ASP HA H 61 4.915 4.915 4.423 0.492 25443 983 1 2 . 1 1 61 61 ASP C C 61 176.659 176.659 177.848 -1.189 25443 984 1 2 . 1 1 61 61 ASP CA C 61 51.856 51.856 55.120 -3.264 25443 985 1 2 . 1 1 61 61 ASP CB C 61 43.726 43.726 41.603 2.123 25443 986 1 2 . 1 1 61 61 ASP H H 61 7.922 7.922 8.435 -0.513 25443 987 1 2 . 1 1 62 62 GLN N N 62 125.812 125.812 120.163 5.649 25443 988 1 2 . 1 1 62 62 GLN HA H 62 4.221 4.221 4.010 0.211 25443 989 1 2 . 1 1 62 62 GLN C C 62 178.430 178.430 178.737 -0.307 25443 990 1 2 . 1 1 62 62 GLN CA C 62 58.449 58.449 59.533 -1.084 25443 991 1 2 . 1 1 62 62 GLN CB C 62 28.076 28.076 28.812 -0.737 25443 992 1 2 . 1 1 62 62 GLN H H 62 8.964 8.964 8.546 0.418 25443 993 1 2 . 1 1 63 63 ARG N N 63 120.943 120.943 118.907 2.036 25443 994 1 2 . 1 1 63 63 ARG HA H 63 3.979 3.979 3.965 0.014 25443 995 1 2 . 1 1 63 63 ARG C C 63 179.350 179.350 178.552 0.798 25443 996 1 2 . 1 1 63 63 ARG CA C 63 59.398 59.398 59.707 -0.309 25443 997 1 2 . 1 1 63 63 ARG CB C 63 29.466 29.466 29.887 -0.421 25443 998 1 2 . 1 1 63 63 ARG H H 63 8.965 8.965 8.535 0.430 25443 999 1 2 . 1 1 64 64 SER N N 64 115.358 115.358 114.392 0.966 25443 1000 1 2 . 1 1 64 64 SER HA H 64 3.898 3.898 4.319 -0.421 25443 1001 1 2 . 1 1 64 64 SER C C 64 174.444 174.444 176.618 -2.174 25443 1002 1 2 . 1 1 64 64 SER CA C 64 62.459 62.459 61.282 1.177 25443 1003 1 2 . 1 1 64 64 SER CB C 64 62.040 62.040 63.027 -0.987 25443 1004 1 2 . 1 1 64 64 SER H H 64 8.065 8.065 7.960 0.105 25443 1005 1 2 . 1 1 65 65 THR N N 65 113.614 113.614 117.246 -3.632 25443 1006 1 2 . 1 1 65 65 THR HA H 65 3.751 3.751 4.246 -0.495 25443 1007 1 2 . 1 1 65 65 THR C C 65 175.357 175.357 176.527 -1.170 25443 1008 1 2 . 1 1 65 65 THR CA C 65 66.292 66.292 65.668 0.624 25443 1009 1 2 . 1 1 65 65 THR CB C 65 68.457 68.457 68.243 0.214 25443 1010 1 2 . 1 1 65 65 THR H H 65 7.484 7.484 7.662 -0.178 25443 1011 1 2 . 1 1 66 66 ILE N N 66 120.736 120.736 122.788 -2.052 25443 1012 1 2 . 1 1 66 66 ILE HA H 66 3.653 3.653 3.788 -0.135 25443 1013 1 2 . 1 1 66 66 ILE C C 66 177.518 177.518 178.023 -0.505 25443 1014 1 2 . 1 1 66 66 ILE CA C 66 64.014 64.014 65.314 -1.300 25443 1015 1 2 . 1 1 66 66 ILE CB C 66 42.194 42.194 37.410 4.784 25443 1016 1 2 . 1 1 66 66 ILE H H 66 6.976 6.976 7.884 -0.908 25443 1017 1 2 . 1 1 67 67 LEU N N 67 117.584 117.584 121.687 -4.103 25443 1018 1 2 . 1 1 67 67 LEU HA H 67 3.921 3.921 3.868 0.053 25443 1019 1 2 . 1 1 67 67 LEU C C 67 179.650 179.650 178.040 1.610 25443 1020 1 2 . 1 1 67 67 LEU CA C 67 57.452 57.452 58.250 -0.798 25443 1021 1 2 . 1 1 67 67 LEU CB C 67 42.172 42.172 41.887 0.285 25443 1022 1 2 . 1 1 67 67 LEU H H 67 7.006 7.006 7.585 -0.579 25443 1023 1 2 . 1 1 68 68 ALA N N 68 121.025 121.025 121.138 -0.113 25443 1024 1 2 . 1 1 68 68 ALA HA H 68 3.285 3.285 3.706 -0.421 25443 1025 1 2 . 1 1 68 68 ALA C C 68 179.216 179.216 179.546 -0.330 25443 1026 1 2 . 1 1 68 68 ALA CA C 68 55.564 55.564 55.038 0.526 25443 1027 1 2 . 1 1 68 68 ALA CB C 68 18.852 18.852 18.183 0.669 25443 1028 1 2 . 1 1 68 68 ALA H H 68 8.121 8.121 8.128 -0.007 25443 1029 1 2 . 1 1 69 69 VAL N N 69 117.799 117.799 118.854 -1.055 25443 1030 1 2 . 1 1 69 69 VAL HA H 69 3.243 3.243 3.513 -0.270 25443 1031 1 2 . 1 1 69 69 VAL C C 69 178.541 178.541 177.819 0.722 25443 1032 1 2 . 1 1 69 69 VAL CA C 69 67.237 67.237 67.087 0.150 25443 1033 1 2 . 1 1 69 69 VAL CB C 69 31.679 31.679 31.601 0.078 25443 1034 1 2 . 1 1 69 69 VAL H H 69 8.012 8.012 8.346 -0.334 25443 1035 1 2 . 1 1 70 70 ASP N N 70 117.013 117.013 118.139 -1.126 25443 1036 1 2 . 1 1 70 70 ASP HA H 70 4.339 4.339 4.347 -0.008 25443 1037 1 2 . 1 1 70 70 ASP C C 70 178.330 178.330 177.445 0.885 25443 1038 1 2 . 1 1 70 70 ASP CA C 70 57.131 57.131 57.107 0.024 25443 1039 1 2 . 1 1 70 70 ASP CB C 70 40.465 40.465 41.102 -0.637 25443 1040 1 2 . 1 1 70 70 ASP H H 70 8.216 8.216 8.032 0.184 25443 1041 1 2 . 1 1 71 71 ASN N N 71 112.777 112.777 116.736 -3.959 25443 1042 1 2 . 1 1 71 71 ASN HA H 71 4.587 4.587 4.638 -0.051 25443 1043 1 2 . 1 1 71 71 ASN C C 71 176.314 176.314 177.194 -0.880 25443 1044 1 2 . 1 1 71 71 ASN CA C 71 55.474 55.474 55.161 0.313 25443 1045 1 2 . 1 1 71 71 ASN CB C 71 40.592 40.592 39.148 1.444 25443 1046 1 2 . 1 1 71 71 ASN H H 71 7.582 7.582 7.930 -0.348 25443 1047 1 2 . 1 1 72 72 LEU N N 72 116.551 116.551 117.247 -0.696 25443 1048 1 2 . 1 1 72 72 LEU HA H 72 4.494 4.494 4.238 0.256 25443 1049 1 2 . 1 1 72 72 LEU C C 72 177.500 177.500 177.541 -0.041 25443 1050 1 2 . 1 1 72 72 LEU CA C 72 54.590 54.590 55.672 -1.082 25443 1051 1 2 . 1 1 72 72 LEU CB C 72 42.862 42.862 41.318 1.544 25443 1052 1 2 . 1 1 72 72 LEU H H 72 8.201 8.201 8.272 -0.071 25443 1053 1 2 . 1 1 73 73 ASN N N 73 118.974 118.974 117.678 1.296 25443 1054 1 2 . 1 1 73 73 ASN HA H 73 4.392 4.392 4.695 -0.303 25443 1055 1 2 . 1 1 73 73 ASN C C 73 177.151 177.151 176.489 0.662 25443 1056 1 2 . 1 1 73 73 ASN CA C 73 56.276 56.276 54.785 1.491 25443 1057 1 2 . 1 1 73 73 ASN CB C 73 38.853 38.853 38.152 0.701 25443 1058 1 2 . 1 1 73 73 ASN H H 73 7.406 7.406 7.828 -0.422 25443 1059 1 2 . 1 1 74 74 GLY N N 74 116.478 116.478 114.622 1.856 25443 1060 1 2 . 1 1 74 74 GLY C C 74 172.756 172.756 173.829 -1.073 25443 1061 1 2 . 1 1 74 74 GLY CA C 74 45.662 45.662 44.870 0.792 25443 1062 1 2 . 1 1 74 74 GLY H H 74 9.106 9.106 8.842 0.264 25443 1063 1 2 . 1 1 75 75 PHE N N 75 123.853 123.853 123.379 0.474 25443 1064 1 2 . 1 1 75 75 PHE HA H 75 4.328 4.328 4.503 -0.175 25443 1065 1 2 . 1 1 75 75 PHE C C 75 175.065 175.065 174.153 0.912 25443 1066 1 2 . 1 1 75 75 PHE CA C 75 58.371 58.371 58.205 0.166 25443 1067 1 2 . 1 1 75 75 PHE CB C 75 40.947 40.947 40.716 0.231 25443 1068 1 2 . 1 1 75 75 PHE H H 75 8.074 8.074 7.796 0.278 25443 1069 1 2 . 1 1 76 76 LYS N N 76 126.700 126.700 127.139 -0.439 25443 1070 1 2 . 1 1 76 76 LYS HA H 76 4.536 4.536 4.616 -0.080 25443 1071 1 2 . 1 1 76 76 LYS C C 76 175.395 175.395 174.866 0.529 25443 1072 1 2 . 1 1 76 76 LYS CA C 76 56.227 56.227 54.823 1.404 25443 1073 1 2 . 1 1 76 76 LYS CB C 76 32.969 32.969 34.436 -1.467 25443 1074 1 2 . 1 1 76 76 LYS H H 76 7.766 7.766 7.680 0.086 25443 1075 1 2 . 1 1 77 77 ILE N N 77 120.686 120.686 125.312 -4.626 25443 1076 1 2 . 1 1 77 77 ILE HA H 77 4.231 4.231 4.141 0.090 25443 1077 1 2 . 1 1 77 77 ILE C C 77 177.605 177.605 176.308 1.297 25443 1078 1 2 . 1 1 77 77 ILE CA C 77 59.981 59.981 60.618 -0.637 25443 1079 1 2 . 1 1 77 77 ILE CB C 77 40.409 40.409 39.747 0.662 25443 1080 1 2 . 1 1 77 77 ILE H H 77 8.005 8.005 8.729 -0.724 25443 1081 1 2 . 1 1 78 78 GLY N N 78 118.352 118.352 117.013 1.339 25443 1082 1 2 . 1 1 78 78 GLY C C 78 175.639 175.639 174.952 0.687 25443 1083 1 2 . 1 1 78 78 GLY CA C 78 47.227 47.227 45.317 1.910 25443 1084 1 2 . 1 1 78 78 GLY H H 78 9.800 9.800 9.114 0.686 25443 1085 1 2 . 1 1 79 79 GLY N N 79 104.167 104.167 104.675 -0.508 25443 1086 1 2 . 1 1 79 79 GLY C C 79 173.371 173.371 173.961 -0.590 25443 1087 1 2 . 1 1 79 79 GLY CA C 79 45.037 45.037 44.771 0.266 25443 1088 1 2 . 1 1 79 79 GLY H H 79 8.795 8.795 8.261 0.534 25443 1089 1 2 . 1 1 80 80 ARG N N 80 119.090 119.090 121.376 -2.286 25443 1090 1 2 . 1 1 80 80 ARG HA H 80 4.590 4.590 4.545 0.045 25443 1091 1 2 . 1 1 80 80 ARG C C 80 174.563 174.563 174.646 -0.083 25443 1092 1 2 . 1 1 80 80 ARG CA C 80 54.615 54.615 54.401 0.214 25443 1093 1 2 . 1 1 80 80 ARG CB C 80 33.487 33.487 32.584 0.903 25443 1094 1 2 . 1 1 80 80 ARG H H 80 7.281 7.281 7.556 -0.275 25443 1095 1 2 . 1 1 81 81 ALA N N 81 126.039 126.039 128.219 -2.180 25443 1096 1 2 . 1 1 81 81 ALA HA H 81 4.216 4.216 4.472 -0.256 25443 1097 1 2 . 1 1 81 81 ALA C C 81 177.149 177.149 177.044 0.105 25443 1098 1 2 . 1 1 81 81 ALA CA C 81 51.081 51.081 51.869 -0.788 25443 1099 1 2 . 1 1 81 81 ALA CB C 81 19.226 19.226 19.602 -0.377 25443 1100 1 2 . 1 1 81 81 ALA H H 81 8.651 8.651 8.631 0.020 25443 1101 1 2 . 1 1 82 82 LEU N N 82 125.451 125.451 124.179 1.272 25443 1102 1 2 . 1 1 82 82 LEU HA H 82 4.390 4.390 4.409 -0.019 25443 1103 1 2 . 1 1 82 82 LEU C C 82 177.498 177.498 176.458 1.040 25443 1104 1 2 . 1 1 82 82 LEU CA C 82 56.065 56.065 54.479 1.586 25443 1105 1 2 . 1 1 82 82 LEU CB C 82 43.267 43.267 42.692 0.575 25443 1106 1 2 . 1 1 82 82 LEU H H 82 8.805 8.805 8.992 -0.187 25443 1107 1 2 . 1 1 83 83 LYS N N 83 123.253 123.253 126.676 -3.423 25443 1108 1 2 . 1 1 83 83 LYS C C 83 174.892 174.892 175.251 -0.359 25443 1109 1 2 . 1 1 83 83 LYS CA C 83 54.892 54.892 54.670 0.222 25443 1110 1 2 . 1 1 83 83 LYS H H 83 7.768 7.768 8.702 -0.934 25443 1111 1 2 . 1 1 84 84 ILE N N 84 125.577 125.577 128.070 -2.493 25443 1112 1 2 . 1 1 84 84 ILE HA H 84 5.581 5.581 4.727 0.854 25443 1113 1 2 . 1 1 84 84 ILE C C 84 174.901 174.901 175.497 -0.596 25443 1114 1 2 . 1 1 84 84 ILE CA C 84 58.803 58.803 58.677 0.126 25443 1115 1 2 . 1 1 84 84 ILE CB C 84 40.306 40.306 36.905 3.401 25443 1116 1 2 . 1 1 84 84 ILE H H 84 8.616 8.616 8.234 0.382 25443 1117 1 2 . 1 1 85 85 ASP N N 85 125.373 125.373 129.048 -3.675 25443 1118 1 2 . 1 1 85 85 ASP HA H 85 4.909 4.909 4.964 -0.055 25443 1119 1 2 . 1 1 85 85 ASP C C 85 174.826 174.826 174.905 -0.079 25443 1120 1 2 . 1 1 85 85 ASP CA C 85 52.372 52.372 52.306 0.066 25443 1121 1 2 . 1 1 85 85 ASP CB C 85 45.290 45.290 42.892 2.397 25443 1122 1 2 . 1 1 85 85 ASP H H 85 8.907 8.907 9.196 -0.289 25443 1123 1 2 . 1 1 86 86 HIS N N 86 121.396 121.396 126.117 -4.721 25443 1124 1 2 . 1 1 86 86 HIS CA C 86 57.540 57.540 57.148 0.392 25443 1125 1 2 . 1 1 86 86 HIS CB C 86 30.985 30.985 30.293 0.692 25443 1126 1 2 . 1 1 86 86 HIS H H 86 8.970 8.970 8.969 0.002 25443 1127 1 2 . 1 1 87 87 THR N N 87 116.761 116.761 123.486 -6.725 25443 1128 1 2 . 1 1 87 87 THR HA H 87 4.652 4.652 4.512 0.140 25443 1129 1 2 . 1 1 87 87 THR C C 87 171.272 171.272 173.614 -2.342 25443 1130 1 2 . 1 1 87 87 THR CA C 87 60.710 60.710 61.328 -0.618 25443 1131 1 2 . 1 1 87 87 THR CB C 87 69.764 69.764 70.383 -0.619 25443 1132 1 2 . 1 1 87 87 THR H H 87 8.557 8.557 8.434 0.123 25443 1133 1 2 . 1 1 88 88 PHE N N 88 120.343 120.343 125.200 -4.857 25443 1134 1 2 . 1 1 88 88 PHE HA H 88 5.273 5.273 5.378 -0.105 25443 1135 1 2 . 1 1 88 88 PHE C C 88 174.288 174.288 173.882 0.406 25443 1136 1 2 . 1 1 88 88 PHE CA C 88 55.959 55.959 56.617 -0.658 25443 1137 1 2 . 1 1 88 88 PHE CB C 88 41.079 41.079 39.920 1.159 25443 1138 1 2 . 1 1 88 88 PHE H H 88 8.114 8.114 8.681 -0.567 25443 1139 1 2 . 1 1 89 89 TYR N N 89 123.043 123.043 122.920 0.123 25443 1140 1 2 . 1 1 89 89 TYR HA H 89 4.026 4.026 4.238 -0.212 25443 1141 1 2 . 1 1 89 89 TYR C C 89 173.155 173.155 172.939 0.216 25443 1142 1 2 . 1 1 89 89 TYR CA C 89 57.493 57.493 56.865 0.628 25443 1143 1 2 . 1 1 89 89 TYR CB C 89 39.829 39.829 42.037 -2.208 25443 1144 1 2 . 1 1 89 89 TYR H H 89 8.176 8.176 8.194 -0.018 25443 1145 1 2 . 1 1 90 90 ARG N N 90 129.004 129.004 124.678 4.326 25443 1146 1 2 . 1 1 90 90 ARG HA H 90 4.398 4.398 4.617 -0.219 25443 1147 1 2 . 1 1 90 90 ARG CA C 90 51.548 51.548 52.349 -0.801 25443 1148 1 2 . 1 1 90 90 ARG CB C 90 30.882 30.882 30.392 0.490 25443 1149 1 2 . 1 1 90 90 ARG H H 90 7.078 7.078 7.430 -0.352 25443 1150 1 2 . 1 1 91 91 PRO HA H 91 4.155 4.155 4.430 -0.275 25443 1151 1 2 . 1 1 91 91 PRO C C 91 176.340 176.340 176.064 0.276 25443 1152 1 2 . 1 1 91 91 PRO CA C 91 62.454 62.454 62.823 -0.369 25443 1153 1 2 . 1 1 91 91 PRO CB C 91 33.072 33.072 32.163 0.909 25443 1154 1 2 . 1 1 92 92 LYS N N 92 119.682 119.682 123.844 -4.162 25443 1155 1 2 . 1 1 92 92 LYS CA C 92 54.711 54.711 54.678 0.033 25443 1156 1 2 . 1 1 92 92 LYS H H 92 8.644 8.644 8.722 -0.078 25443 1157 1 2 . 1 1 93 93 ARG C C 93 178.899 178.899 177.431 1.468 25443 1158 1 2 . 1 1 93 93 ARG CA C 93 59.125 59.125 58.300 0.825 25443 1159 1 2 . 1 1 94 94 SER N N 94 112.166 112.166 115.510 -3.344 25443 1160 1 2 . 1 1 94 94 SER HA H 94 4.176 4.176 4.385 -0.209 25443 1161 1 2 . 1 1 94 94 SER C C 94 175.776 175.776 174.906 0.870 25443 1162 1 2 . 1 1 94 94 SER CA C 94 60.031 60.031 60.936 -0.905 25443 1163 1 2 . 1 1 94 94 SER CB C 94 62.152 62.152 63.081 -0.929 25443 1164 1 2 . 1 1 94 94 SER H H 94 8.299 8.299 8.341 -0.042 25443 1165 1 2 . 1 1 95 95 LEU N N 95 122.179 122.179 121.437 0.742 25443 1166 1 2 . 1 1 95 95 LEU HA H 95 4.651 4.651 4.794 -0.143 25443 1167 1 2 . 1 1 95 95 LEU C C 95 175.381 175.381 176.530 -1.149 25443 1168 1 2 . 1 1 95 95 LEU CA C 95 53.934 53.934 52.909 1.025 25443 1169 1 2 . 1 1 95 95 LEU CB C 95 41.861 41.861 42.087 -0.226 25443 1170 1 2 . 1 1 95 95 LEU H H 95 7.159 7.159 7.357 -0.198 25443 1171 1 2 . 1 1 96 96 GLN N N 96 118.834 118.834 120.207 -1.373 25443 1172 1 2 . 1 1 96 96 GLN HA H 96 4.030 4.030 4.117 -0.087 25443 1173 1 2 . 1 1 96 96 GLN C C 96 177.751 177.751 177.530 0.221 25443 1174 1 2 . 1 1 96 96 GLN CA C 96 60.705 60.705 58.994 1.711 25443 1175 1 2 . 1 1 96 96 GLN CB C 96 28.822 28.822 28.175 0.647 25443 1176 1 2 . 1 1 96 96 GLN H H 96 7.329 7.329 7.571 -0.242 25443 1177 1 2 . 1 1 97 97 LYS N N 97 116.469 116.469 119.989 -3.520 25443 1178 1 2 . 1 1 97 97 LYS HA H 97 4.060 4.060 4.268 -0.208 25443 1179 1 2 . 1 1 97 97 LYS C C 97 179.164 179.164 179.076 0.088 25443 1180 1 2 . 1 1 97 97 LYS CA C 97 59.430 59.430 58.810 0.620 25443 1181 1 2 . 1 1 97 97 LYS CB C 97 31.511 31.511 31.593 -0.082 25443 1182 1 2 . 1 1 97 97 LYS H H 97 8.614 8.614 8.357 0.257 25443 1183 1 2 . 1 1 98 98 TYR N N 98 124.165 124.165 121.110 3.055 25443 1184 1 2 . 1 1 98 98 TYR HA H 98 4.079 4.079 4.112 -0.033 25443 1185 1 2 . 1 1 98 98 TYR C C 98 177.316 177.316 178.077 -0.761 25443 1186 1 2 . 1 1 98 98 TYR CA C 98 62.205 62.205 62.293 -0.088 25443 1187 1 2 . 1 1 98 98 TYR CB C 98 37.162 37.162 38.493 -1.331 25443 1188 1 2 . 1 1 98 98 TYR H H 98 7.585 7.585 7.784 -0.199 25443 1189 1 2 . 1 1 99 99 TYR N N 99 117.955 117.955 118.364 -0.409 25443 1190 1 2 . 1 1 99 99 TYR HA H 99 5.078 5.078 4.161 0.917 25443 1191 1 2 . 1 1 99 99 TYR C C 99 180.957 180.957 178.314 2.643 25443 1192 1 2 . 1 1 99 99 TYR CA C 99 57.741 57.741 62.561 -4.820 25443 1193 1 2 . 1 1 99 99 TYR CB C 99 37.083 37.083 38.167 -1.084 25443 1194 1 2 . 1 1 99 99 TYR H H 99 8.660 8.660 7.941 0.719 25443 1195 1 2 . 1 1 100 100 GLU N N 100 118.796 118.796 119.243 -0.447 25443 1196 1 2 . 1 1 100 100 GLU HA H 100 4.024 4.024 3.925 0.099 25443 1197 1 2 . 1 1 100 100 GLU C C 100 178.571 178.571 178.797 -0.226 25443 1198 1 2 . 1 1 100 100 GLU CA C 100 59.400 59.400 59.706 -0.306 25443 1199 1 2 . 1 1 100 100 GLU CB C 100 29.660 29.660 29.418 0.242 25443 1200 1 2 . 1 1 100 100 GLU H H 100 8.263 8.263 8.638 -0.375 25443 1201 1 2 . 1 1 101 101 ALA N N 101 123.346 123.346 122.199 1.147 25443 1202 1 2 . 1 1 101 101 ALA HA H 101 4.244 4.244 4.041 0.203 25443 1203 1 2 . 1 1 101 101 ALA C C 101 181.331 181.331 179.925 1.406 25443 1204 1 2 . 1 1 101 101 ALA CA C 101 54.851 54.851 55.165 -0.314 25443 1205 1 2 . 1 1 101 101 ALA CB C 101 18.559 18.559 18.288 0.272 25443 1206 1 2 . 1 1 101 101 ALA H H 101 7.966 7.966 8.198 -0.232 25443 1207 1 2 . 1 1 102 102 VAL N N 102 120.241 120.241 118.878 1.363 25443 1208 1 2 . 1 1 102 102 VAL HA H 102 3.713 3.713 3.514 0.199 25443 1209 1 2 . 1 1 102 102 VAL C C 102 176.967 176.967 177.755 -0.788 25443 1210 1 2 . 1 1 102 102 VAL CA C 102 67.433 67.433 66.831 0.602 25443 1211 1 2 . 1 1 102 102 VAL CB C 102 31.721 31.721 31.371 0.350 25443 1212 1 2 . 1 1 102 102 VAL H H 102 8.331 8.331 7.682 0.649 25443 1213 1 2 . 1 1 103 103 LYS N N 103 120.001 120.001 120.338 -0.337 25443 1214 1 2 . 1 1 103 103 LYS HA H 103 3.859 3.859 3.924 -0.065 25443 1215 1 2 . 1 1 103 103 LYS C C 103 178.500 178.500 178.945 -0.445 25443 1216 1 2 . 1 1 103 103 LYS CA C 103 59.652 59.652 60.040 -0.388 25443 1217 1 2 . 1 1 103 103 LYS CB C 103 32.040 32.040 32.397 -0.356 25443 1218 1 2 . 1 1 103 103 LYS H H 103 8.201 8.201 8.467 -0.266 25443 1219 1 2 . 1 1 104 104 GLU N N 104 116.335 116.335 117.700 -1.365 25443 1220 1 2 . 1 1 104 104 GLU HA H 104 3.928 3.928 4.054 -0.126 25443 1221 1 2 . 1 1 104 104 GLU C C 104 178.645 178.645 179.150 -0.505 25443 1222 1 2 . 1 1 104 104 GLU CA C 104 59.110 59.110 59.117 -0.007 25443 1223 1 2 . 1 1 104 104 GLU CB C 104 29.607 29.607 29.176 0.431 25443 1224 1 2 . 1 1 104 104 GLU H H 104 7.909 7.909 8.350 -0.441 25443 1225 1 2 . 1 1 105 105 GLU N N 105 119.210 119.210 120.718 -1.508 25443 1226 1 2 . 1 1 105 105 GLU HA H 105 3.844 3.844 4.099 -0.255 25443 1227 1 2 . 1 1 105 105 GLU C C 105 178.613 178.613 179.158 -0.545 25443 1228 1 2 . 1 1 105 105 GLU CA C 105 58.162 58.162 58.863 -0.701 25443 1229 1 2 . 1 1 105 105 GLU CB C 105 29.754 29.754 29.294 0.460 25443 1230 1 2 . 1 1 105 105 GLU H H 105 7.257 7.257 7.750 -0.493 25443 1231 1 2 . 1 1 106 106 LEU N N 106 117.408 117.408 118.309 -0.901 25443 1232 1 2 . 1 1 106 106 LEU HA H 106 3.976 3.976 4.239 -0.263 25443 1233 1 2 . 1 1 106 106 LEU C C 106 178.646 178.646 179.234 -0.588 25443 1234 1 2 . 1 1 106 106 LEU CA C 106 56.699 56.699 57.144 -0.445 25443 1235 1 2 . 1 1 106 106 LEU CB C 106 40.455 40.455 41.748 -1.293 25443 1236 1 2 . 1 1 106 106 LEU H H 106 8.169 8.169 8.263 -0.094 25443 1237 1 2 . 1 1 107 107 ASP N N 107 119.073 119.073 119.407 -0.334 25443 1238 1 2 . 1 1 107 107 ASP HA H 107 4.521 4.521 4.369 0.152 25443 1239 1 2 . 1 1 107 107 ASP C C 107 177.069 177.069 178.589 -1.520 25443 1240 1 2 . 1 1 107 107 ASP CA C 107 55.099 55.099 57.375 -2.276 25443 1241 1 2 . 1 1 107 107 ASP CB C 107 40.670 40.670 40.903 -0.233 25443 1242 1 2 . 1 1 107 107 ASP H H 107 8.003 8.003 8.026 -0.023 25443 1243 1 2 . 1 1 108 108 ARG N N 108 120.705 120.705 118.443 2.262 25443 1244 1 2 . 1 1 108 108 ARG HA H 108 4.067 4.067 4.084 -0.017 25443 1245 1 2 . 1 1 108 108 ARG C C 108 176.990 176.990 178.582 -1.592 25443 1246 1 2 . 1 1 108 108 ARG CA C 108 57.517 57.517 58.616 -1.099 25443 1247 1 2 . 1 1 108 108 ARG CB C 108 30.407 30.407 29.694 0.713 25443 1248 1 2 . 1 1 108 108 ARG H H 108 7.603 7.603 7.538 0.065 25443 1249 1 2 . 1 1 109 109 ASP N N 109 120.246 120.246 119.988 0.258 25443 1250 1 2 . 1 1 109 109 ASP HA H 109 4.521 4.521 4.448 0.073 25443 1251 1 2 . 1 1 109 109 ASP C C 109 176.630 176.630 177.714 -1.084 25443 1252 1 2 . 1 1 109 109 ASP CA C 109 55.028 55.028 57.611 -2.583 25443 1253 1 2 . 1 1 109 109 ASP CB C 109 40.936 40.936 40.496 0.440 25443 1254 1 2 . 1 1 109 109 ASP H H 109 8.226 8.226 7.561 0.665 25443 1255 1 2 . 1 1 110 110 ILE N N 110 120.386 120.386 117.967 2.419 25443 1256 1 2 . 1 1 110 110 ILE HA H 110 3.987 3.987 3.882 0.105 25443 1257 1 2 . 1 1 110 110 ILE C C 110 176.996 176.996 177.068 -0.072 25443 1258 1 2 . 1 1 110 110 ILE CA C 110 62.241 62.241 63.567 -1.326 25443 1259 1 2 . 1 1 110 110 ILE CB C 110 38.359 38.359 38.310 0.049 25443 1260 1 2 . 1 1 110 110 ILE H H 110 7.863 7.863 7.312 0.551 25443 1261 1 2 . 1 1 111 111 VAL N N 111 122.548 122.548 117.554 4.994 25443 1262 1 2 . 1 1 111 111 VAL HA H 111 3.946 3.946 3.936 0.010 25443 1263 1 2 . 1 1 111 111 VAL C C 111 176.938 176.938 176.891 0.047 25443 1264 1 2 . 1 1 111 111 VAL CA C 111 63.499 63.499 63.932 -0.433 25443 1265 1 2 . 1 1 111 111 VAL CB C 111 32.223 32.223 31.857 0.366 25443 1266 1 2 . 1 1 111 111 VAL H H 111 8.016 8.016 7.106 0.910 25443 1267 1 2 . 1 1 112 112 SER N N 112 117.984 117.984 115.891 2.093 25443 1268 1 2 . 1 1 112 112 SER HA H 112 4.317 4.317 4.344 -0.027 25443 1269 1 2 . 1 1 112 112 SER C C 112 175.154 175.154 174.139 1.015 25443 1270 1 2 . 1 1 112 112 SER CA C 112 59.025 59.025 58.498 0.527 25443 1271 1 2 . 1 1 112 112 SER CB C 112 63.419 63.419 63.371 0.048 25443 1272 1 2 . 1 1 112 112 SER H H 112 8.187 8.187 7.827 0.360 25443 1273 1 2 . 1 1 113 113 LYS N N 113 122.727 122.727 128.748 -6.021 25443 1274 1 2 . 1 1 113 113 LYS HA H 113 4.209 4.209 4.304 -0.095 25443 1275 1 2 . 1 1 113 113 LYS C C 113 176.713 176.713 177.168 -0.455 25443 1276 1 2 . 1 1 113 113 LYS CA C 113 56.844 56.844 56.335 0.509 25443 1277 1 2 . 1 1 113 113 LYS CB C 113 32.794 32.794 31.055 1.739 25443 1278 1 2 . 1 1 113 113 LYS H H 113 8.152 8.152 8.592 -0.440 25443 1279 1 2 . 1 1 114 114 ASN N N 114 118.886 118.886 124.662 -5.776 25443 1280 1 2 . 1 1 114 114 ASN C C 114 175.227 175.227 175.382 -0.155 25443 1281 1 2 . 1 1 114 114 ASN CA C 114 53.549 53.549 55.501 -1.952 25443 1282 1 2 . 1 1 114 114 ASN H H 114 8.261 8.261 8.448 -0.187 25443 1283 1 2 . 1 1 115 115 ASN N N 115 119.345 119.345 117.881 1.464 25443 1284 1 2 . 1 1 115 115 ASN C C 115 174.896 174.896 174.834 0.062 25443 1285 1 2 . 1 1 115 115 ASN CA C 115 53.476 53.476 54.246 -0.770 25443 1286 1 2 . 1 1 115 115 ASN H H 115 8.257 8.257 8.331 -0.074 25443 1287 1 2 . 1 1 116 116 ALA N N 116 123.669 123.669 120.231 3.438 25443 1288 1 2 . 1 1 116 116 ALA HA H 116 4.254 4.254 3.968 0.286 25443 1289 1 2 . 1 1 116 116 ALA C C 116 177.567 177.567 176.342 1.225 25443 1290 1 2 . 1 1 116 116 ALA CA C 116 52.678 52.678 54.130 -1.452 25443 1291 1 2 . 1 1 116 116 ALA CB C 116 19.243 19.243 17.666 1.577 25443 1292 1 2 . 1 1 116 116 ALA H H 116 8.094 8.094 7.787 0.307 25443 1293 1 2 . 1 1 117 117 GLU N N 117 120.083 120.083 119.827 0.256 25443 1294 1 2 . 1 1 117 117 GLU C C 117 175.564 175.564 174.521 1.043 25443 1295 1 2 . 1 1 117 117 GLU CA C 117 56.602 56.602 55.080 1.522 25443 1296 1 2 . 1 1 117 117 GLU H H 117 8.221 8.221 8.294 -0.073 25443 1297 1 3 . 1 1 2 2 ALA HA H 2 4.286 4.286 4.383 -0.097 25443 1298 1 3 . 1 1 2 2 ALA C C 2 177.853 177.853 177.271 0.582 25443 1299 1 3 . 1 1 2 2 ALA CA C 2 52.661 52.661 52.131 0.530 25443 1300 1 3 . 1 1 2 2 ALA CB C 2 19.308 19.308 18.317 0.991 25443 1301 1 3 . 1 1 3 3 MET N N 3 119.404 119.404 121.380 -1.976 25443 1302 1 3 . 1 1 3 3 MET HA H 3 4.435 4.435 4.590 -0.155 25443 1303 1 3 . 1 1 3 3 MET C C 3 176.731 176.731 176.550 0.181 25443 1304 1 3 . 1 1 3 3 MET CA C 3 55.503 55.503 54.220 1.283 25443 1305 1 3 . 1 1 3 3 MET CB C 3 32.795 32.795 32.269 0.526 25443 1306 1 3 . 1 1 3 3 MET H H 3 8.530 8.530 8.256 0.274 25443 1307 1 3 . 1 1 4 4 GLY N N 4 109.968 109.968 108.375 1.593 25443 1308 1 3 . 1 1 4 4 GLY C C 4 174.057 174.057 175.988 -1.931 25443 1309 1 3 . 1 1 4 4 GLY CA C 4 45.363 45.363 45.212 0.151 25443 1310 1 3 . 1 1 4 4 GLY H H 4 8.414 8.414 8.368 0.046 25443 1311 1 3 . 1 1 5 5 ASN N N 5 118.659 118.659 117.536 1.123 25443 1312 1 3 . 1 1 5 5 ASN HA H 5 4.606 4.606 4.316 0.290 25443 1313 1 3 . 1 1 5 5 ASN C C 5 175.443 175.443 176.086 -0.643 25443 1314 1 3 . 1 1 5 5 ASN CA C 5 53.530 53.530 55.194 -1.664 25443 1315 1 3 . 1 1 5 5 ASN CB C 5 38.876 38.876 38.166 0.710 25443 1316 1 3 . 1 1 5 5 ASN H H 5 8.326 8.326 8.789 -0.463 25443 1317 1 3 . 1 1 6 6 GLU N N 6 120.909 120.909 117.994 2.915 25443 1318 1 3 . 1 1 6 6 GLU HA H 6 4.097 4.097 3.937 0.160 25443 1319 1 3 . 1 1 6 6 GLU C C 6 176.261 176.261 176.788 -0.527 25443 1320 1 3 . 1 1 6 6 GLU CA C 6 57.171 57.171 58.501 -1.330 25443 1321 1 3 . 1 1 6 6 GLU CB C 6 29.715 29.715 28.496 1.219 25443 1322 1 3 . 1 1 6 6 GLU H H 6 8.633 8.633 8.706 -0.073 25443 1323 1 3 . 1 1 7 7 TYR N N 7 120.283 120.283 114.856 5.427 25443 1324 1 3 . 1 1 7 7 TYR HA H 7 4.440 4.440 4.528 -0.088 25443 1325 1 3 . 1 1 7 7 TYR C C 7 175.789 175.789 177.100 -1.311 25443 1326 1 3 . 1 1 7 7 TYR CA C 7 58.061 58.061 58.465 -0.404 25443 1327 1 3 . 1 1 7 7 TYR CB C 7 38.193 38.193 38.703 -0.510 25443 1328 1 3 . 1 1 7 7 TYR H H 7 8.069 8.069 7.726 0.343 25443 1329 1 3 . 1 1 8 8 LYS N N 8 121.780 121.780 119.978 1.802 25443 1330 1 3 . 1 1 8 8 LYS HA H 8 4.107 4.107 4.417 -0.310 25443 1331 1 3 . 1 1 8 8 LYS C C 8 175.970 175.970 178.308 -2.338 25443 1332 1 3 . 1 1 8 8 LYS CA C 8 56.550 56.550 57.745 -1.195 25443 1333 1 3 . 1 1 8 8 LYS CB C 8 33.141 33.141 33.256 -0.115 25443 1334 1 3 . 1 1 8 8 LYS H H 8 7.868 7.868 8.020 -0.152 25443 1335 1 3 . 1 1 9 9 ASP N N 9 119.825 119.825 120.063 -0.238 25443 1336 1 3 . 1 1 9 9 ASP HA H 9 4.577 4.577 4.507 0.070 25443 1337 1 3 . 1 1 9 9 ASP C C 9 175.979 175.979 175.876 0.103 25443 1338 1 3 . 1 1 9 9 ASP CA C 9 54.608 54.608 56.297 -1.689 25443 1339 1 3 . 1 1 9 9 ASP CB C 9 41.455 41.455 40.466 0.989 25443 1340 1 3 . 1 1 9 9 ASP H H 9 8.164 8.164 8.468 -0.304 25443 1341 1 3 . 1 1 10 10 ASN N N 10 119.410 119.410 116.358 3.052 25443 1342 1 3 . 1 1 10 10 ASN HA H 10 4.935 4.935 4.571 0.364 25443 1343 1 3 . 1 1 10 10 ASN C C 10 174.654 174.654 174.589 0.065 25443 1344 1 3 . 1 1 10 10 ASN CA C 10 52.792 52.792 54.242 -1.450 25443 1345 1 3 . 1 1 10 10 ASN CB C 10 38.554 38.554 38.907 -0.353 25443 1346 1 3 . 1 1 10 10 ASN H H 10 8.284 8.284 8.319 -0.035 25443 1347 1 3 . 1 1 11 11 ALA N N 11 122.716 122.716 121.826 0.890 25443 1348 1 3 . 1 1 11 11 ALA HA H 11 4.521 4.521 4.590 -0.069 25443 1349 1 3 . 1 1 11 11 ALA CA C 11 53.148 53.148 51.389 1.759 25443 1350 1 3 . 1 1 11 11 ALA CB C 11 19.223 19.223 20.082 -0.859 25443 1351 1 3 . 1 1 11 11 ALA H H 11 8.260 8.260 7.140 1.120 25443 1352 1 3 . 1 1 12 12 TYR HA H 12 4.943 4.943 4.377 0.566 25443 1353 1 3 . 1 1 12 12 TYR C C 12 177.075 177.075 174.721 2.354 25443 1354 1 3 . 1 1 12 12 TYR CA C 12 57.314 57.314 57.215 0.099 25443 1355 1 3 . 1 1 12 12 TYR CB C 12 42.614 42.614 38.559 4.055 25443 1356 1 3 . 1 1 13 13 ILE N N 13 114.211 114.211 115.214 -1.003 25443 1357 1 3 . 1 1 13 13 ILE HA H 13 4.981 4.981 4.562 0.418 25443 1358 1 3 . 1 1 13 13 ILE C C 13 174.500 174.500 174.333 0.167 25443 1359 1 3 . 1 1 13 13 ILE CA C 13 60.380 60.380 58.940 1.440 25443 1360 1 3 . 1 1 13 13 ILE CB C 13 39.792 39.792 40.488 -0.696 25443 1361 1 3 . 1 1 13 13 ILE H H 13 9.358 9.358 8.355 1.003 25443 1362 1 3 . 1 1 14 14 TYR N N 14 124.891 124.891 124.626 0.265 25443 1363 1 3 . 1 1 14 14 TYR HA H 14 4.579 4.579 4.883 -0.304 25443 1364 1 3 . 1 1 14 14 TYR C C 14 173.192 173.192 173.638 -0.446 25443 1365 1 3 . 1 1 14 14 TYR CA C 14 56.202 56.202 56.425 -0.223 25443 1366 1 3 . 1 1 14 14 TYR CB C 14 40.163 40.163 40.841 -0.678 25443 1367 1 3 . 1 1 14 14 TYR H H 14 9.163 9.163 8.743 0.420 25443 1368 1 3 . 1 1 15 15 ILE N N 15 127.801 127.801 124.708 3.093 25443 1369 1 3 . 1 1 15 15 ILE HA H 15 4.210 4.210 5.054 -0.844 25443 1370 1 3 . 1 1 15 15 ILE C C 15 173.823 173.823 175.652 -1.829 25443 1371 1 3 . 1 1 15 15 ILE CA C 15 59.616 59.616 58.709 0.907 25443 1372 1 3 . 1 1 15 15 ILE CB C 15 39.735 39.735 41.836 -2.101 25443 1373 1 3 . 1 1 15 15 ILE H H 15 8.569 8.569 8.286 0.283 25443 1374 1 3 . 1 1 16 16 GLY N N 16 112.441 112.441 111.289 1.152 25443 1375 1 3 . 1 1 16 16 GLY C C 16 173.159 173.159 173.636 -0.477 25443 1376 1 3 . 1 1 16 16 GLY CA C 16 43.244 43.244 42.965 0.279 25443 1377 1 3 . 1 1 16 16 GLY H H 16 9.354 9.354 8.333 1.021 25443 1378 1 3 . 1 1 17 17 ASN N N 17 114.797 114.797 118.839 -4.042 25443 1379 1 3 . 1 1 17 17 ASN HA H 17 4.347 4.347 4.693 -0.346 25443 1380 1 3 . 1 1 17 17 ASN C C 17 174.834 174.834 175.447 -0.613 25443 1381 1 3 . 1 1 17 17 ASN CA C 17 53.214 53.214 54.028 -0.814 25443 1382 1 3 . 1 1 17 17 ASN CB C 17 37.826 37.826 38.404 -0.578 25443 1383 1 3 . 1 1 17 17 ASN H H 17 8.552 8.552 8.603 -0.051 25443 1384 1 3 . 1 1 18 18 LEU N N 18 114.526 114.526 125.496 -10.970 25443 1385 1 3 . 1 1 18 18 LEU HA H 18 3.994 3.994 4.449 -0.455 25443 1386 1 3 . 1 1 18 18 LEU C C 18 177.948 177.948 176.099 1.849 25443 1387 1 3 . 1 1 18 18 LEU CA C 18 53.772 53.772 53.512 0.260 25443 1388 1 3 . 1 1 18 18 LEU CB C 18 42.385 42.385 43.622 -1.237 25443 1389 1 3 . 1 1 18 18 LEU H H 18 7.743 7.743 8.086 -0.343 25443 1390 1 3 . 1 1 19 19 ASN N N 19 122.718 122.718 117.436 5.282 25443 1391 1 3 . 1 1 19 19 ASN HA H 19 4.302 4.302 4.604 -0.302 25443 1392 1 3 . 1 1 19 19 ASN C C 19 178.040 178.040 177.271 0.769 25443 1393 1 3 . 1 1 19 19 ASN CA C 19 54.421 54.421 53.303 1.118 25443 1394 1 3 . 1 1 19 19 ASN CB C 19 38.580 38.580 39.870 -1.290 25443 1395 1 3 . 1 1 19 19 ASN H H 19 8.758 8.758 8.425 0.333 25443 1396 1 3 . 1 1 20 20 ARG N N 20 128.821 128.821 123.812 5.009 25443 1397 1 3 . 1 1 20 20 ARG HA H 20 3.790 3.790 4.075 -0.285 25443 1398 1 3 . 1 1 20 20 ARG C C 20 175.566 175.566 176.845 -1.279 25443 1399 1 3 . 1 1 20 20 ARG CA C 20 58.775 58.775 58.075 0.700 25443 1400 1 3 . 1 1 20 20 ARG CB C 20 29.642 29.642 30.277 -0.635 25443 1401 1 3 . 1 1 20 20 ARG H H 20 8.997 8.997 8.745 0.252 25443 1402 1 3 . 1 1 21 21 GLU N N 21 117.438 117.438 116.521 0.917 25443 1403 1 3 . 1 1 21 21 GLU HA H 21 4.214 4.214 4.261 -0.047 25443 1404 1 3 . 1 1 21 21 GLU C C 21 177.076 177.076 176.207 0.869 25443 1405 1 3 . 1 1 21 21 GLU CA C 21 56.677 56.677 55.977 0.700 25443 1406 1 3 . 1 1 21 21 GLU CB C 21 30.451 30.451 29.381 1.070 25443 1407 1 3 . 1 1 21 21 GLU H H 21 9.043 9.043 8.225 0.818 25443 1408 1 3 . 1 1 22 22 LEU N N 22 116.311 116.311 122.987 -6.676 25443 1409 1 3 . 1 1 22 22 LEU HA H 22 4.491 4.491 4.286 0.205 25443 1410 1 3 . 1 1 22 22 LEU C C 22 178.389 178.389 175.996 2.393 25443 1411 1 3 . 1 1 22 22 LEU CA C 22 55.496 55.496 54.460 1.036 25443 1412 1 3 . 1 1 22 22 LEU CB C 22 42.148 42.148 41.659 0.489 25443 1413 1 3 . 1 1 22 22 LEU H H 22 7.183 7.183 7.161 0.022 25443 1414 1 3 . 1 1 23 23 THR N N 23 113.850 113.850 113.323 0.527 25443 1415 1 3 . 1 1 23 23 THR HA H 23 4.289 4.289 4.655 -0.366 25443 1416 1 3 . 1 1 23 23 THR C C 23 175.229 175.229 175.560 -0.331 25443 1417 1 3 . 1 1 23 23 THR CA C 23 59.895 59.895 59.459 0.436 25443 1418 1 3 . 1 1 23 23 THR CB C 23 71.989 71.989 71.580 0.409 25443 1419 1 3 . 1 1 23 23 THR H H 23 8.743 8.743 7.656 1.087 25443 1420 1 3 . 1 1 24 24 GLU N N 24 119.724 119.724 121.035 -1.311 25443 1421 1 3 . 1 1 24 24 GLU HA H 24 3.591 3.591 4.108 -0.517 25443 1422 1 3 . 1 1 24 24 GLU C C 24 178.597 178.597 178.581 0.016 25443 1423 1 3 . 1 1 24 24 GLU CA C 24 63.490 63.490 60.944 2.546 25443 1424 1 3 . 1 1 24 24 GLU CB C 24 27.433 27.433 28.886 -1.453 25443 1425 1 3 . 1 1 24 24 GLU H H 24 9.641 9.641 9.027 0.614 25443 1426 1 3 . 1 1 25 25 GLY N N 25 104.430 104.430 108.374 -3.944 25443 1427 1 3 . 1 1 25 25 GLY C C 25 175.425 175.425 175.908 -0.483 25443 1428 1 3 . 1 1 25 25 GLY CA C 25 47.334 47.334 46.991 0.343 25443 1429 1 3 . 1 1 25 25 GLY H H 25 8.423 8.423 8.048 0.375 25443 1430 1 3 . 1 1 26 26 ASP N N 26 123.128 123.128 123.774 -0.646 25443 1431 1 3 . 1 1 26 26 ASP HA H 26 4.530 4.530 4.417 0.113 25443 1432 1 3 . 1 1 26 26 ASP C C 26 177.878 177.878 178.690 -0.812 25443 1433 1 3 . 1 1 26 26 ASP CA C 26 57.429 57.429 58.253 -0.824 25443 1434 1 3 . 1 1 26 26 ASP CB C 26 41.612 41.612 40.697 0.915 25443 1435 1 3 . 1 1 26 26 ASP H H 26 7.859 7.859 7.606 0.253 25443 1436 1 3 . 1 1 27 27 ILE N N 27 118.864 118.864 120.127 -1.263 25443 1437 1 3 . 1 1 27 27 ILE HA H 27 3.534 3.534 3.770 -0.236 25443 1438 1 3 . 1 1 27 27 ILE C C 27 178.225 178.225 177.979 0.246 25443 1439 1 3 . 1 1 27 27 ILE CA C 27 65.627 65.627 65.267 0.360 25443 1440 1 3 . 1 1 27 27 ILE CB C 27 37.614 37.614 38.090 -0.476 25443 1441 1 3 . 1 1 27 27 ILE H H 27 8.055 8.055 8.083 -0.028 25443 1442 1 3 . 1 1 28 28 LEU N N 28 119.416 119.416 120.881 -1.465 25443 1443 1 3 . 1 1 28 28 LEU HA H 28 3.861 3.861 4.160 -0.299 25443 1444 1 3 . 1 1 28 28 LEU C C 28 179.884 179.884 178.518 1.366 25443 1445 1 3 . 1 1 28 28 LEU CA C 28 58.758 58.758 58.188 0.570 25443 1446 1 3 . 1 1 28 28 LEU CB C 28 41.137 41.137 41.641 -0.504 25443 1447 1 3 . 1 1 28 28 LEU H H 28 8.423 8.423 8.251 0.172 25443 1448 1 3 . 1 1 29 29 THR N N 29 119.586 119.586 116.164 3.422 25443 1449 1 3 . 1 1 29 29 THR HA H 29 3.790 3.790 3.845 -0.055 25443 1450 1 3 . 1 1 29 29 THR C C 29 176.530 176.530 176.774 -0.244 25443 1451 1 3 . 1 1 29 29 THR CA C 29 67.322 67.322 67.427 -0.105 25443 1452 1 3 . 1 1 29 29 THR CB C 29 68.372 68.372 68.712 -0.340 25443 1453 1 3 . 1 1 29 29 THR H H 29 8.552 8.552 7.904 0.648 25443 1454 1 3 . 1 1 30 30 VAL N N 30 119.948 119.948 121.275 -1.327 25443 1455 1 3 . 1 1 30 30 VAL HA H 30 3.601 3.601 3.427 0.174 25443 1456 1 3 . 1 1 30 30 VAL C C 30 178.670 178.670 178.091 0.579 25443 1457 1 3 . 1 1 30 30 VAL CA C 30 66.081 66.081 66.183 -0.102 25443 1458 1 3 . 1 1 30 30 VAL CB C 30 32.993 32.993 31.471 1.522 25443 1459 1 3 . 1 1 30 30 VAL H H 30 7.959 7.959 7.981 -0.022 25443 1460 1 3 . 1 1 31 31 PHE N N 31 113.636 113.636 117.292 -3.656 25443 1461 1 3 . 1 1 31 31 PHE HA H 31 4.006 4.006 4.436 -0.430 25443 1462 1 3 . 1 1 31 31 PHE C C 31 180.133 180.133 177.443 2.690 25443 1463 1 3 . 1 1 31 31 PHE CA C 31 62.266 62.266 60.574 1.692 25443 1464 1 3 . 1 1 31 31 PHE CB C 31 37.711 37.711 38.479 -0.768 25443 1465 1 3 . 1 1 31 31 PHE H H 31 8.726 8.726 7.933 0.793 25443 1466 1 3 . 1 1 32 32 SER N N 32 119.746 119.746 114.759 4.987 25443 1467 1 3 . 1 1 32 32 SER HA H 32 5.107 5.107 4.232 0.875 25443 1468 1 3 . 1 1 32 32 SER C C 32 173.450 173.450 176.286 -2.836 25443 1469 1 3 . 1 1 32 32 SER CA C 32 61.440 61.440 61.076 0.364 25443 1470 1 3 . 1 1 32 32 SER CB C 32 62.690 62.690 62.896 -0.206 25443 1471 1 3 . 1 1 32 32 SER H H 32 8.564 8.564 8.272 0.292 25443 1472 1 3 . 1 1 33 33 GLU N N 33 118.689 118.689 120.786 -2.097 25443 1473 1 3 . 1 1 33 33 GLU HA H 33 3.854 3.854 4.058 -0.204 25443 1474 1 3 . 1 1 33 33 GLU C C 33 176.471 176.471 177.967 -1.496 25443 1475 1 3 . 1 1 33 33 GLU CA C 33 57.997 57.997 58.002 -0.005 25443 1476 1 3 . 1 1 33 33 GLU CB C 33 29.503 29.503 29.211 0.292 25443 1477 1 3 . 1 1 33 33 GLU H H 33 6.733 6.733 7.410 -0.677 25443 1478 1 3 . 1 1 34 34 TYR N N 34 111.313 111.313 117.842 -6.529 25443 1479 1 3 . 1 1 34 34 TYR HA H 34 4.469 4.469 4.498 -0.029 25443 1480 1 3 . 1 1 34 34 TYR C C 34 174.351 174.351 176.288 -1.937 25443 1481 1 3 . 1 1 34 34 TYR CA C 34 57.940 57.940 58.637 -0.697 25443 1482 1 3 . 1 1 34 34 TYR CB C 34 39.557 39.557 38.716 0.841 25443 1483 1 3 . 1 1 34 34 TYR H H 34 6.662 6.662 7.378 -0.716 25443 1484 1 3 . 1 1 35 35 GLY N N 35 106.055 106.055 107.649 -1.594 25443 1485 1 3 . 1 1 35 35 GLY C C 35 170.709 170.709 174.106 -3.397 25443 1486 1 3 . 1 1 35 35 GLY CA C 35 45.230 45.230 45.128 0.102 25443 1487 1 3 . 1 1 35 35 GLY H H 35 7.302 7.302 7.585 -0.283 25443 1488 1 3 . 1 1 36 36 VAL N N 36 121.596 121.596 116.787 4.809 25443 1489 1 3 . 1 1 36 36 VAL HA H 36 4.492 4.492 4.573 -0.081 25443 1490 1 3 . 1 1 36 36 VAL CA C 36 59.912 59.912 58.506 1.406 25443 1491 1 3 . 1 1 36 36 VAL CB C 36 33.632 33.632 32.624 1.008 25443 1492 1 3 . 1 1 36 36 VAL H H 36 8.595 8.595 7.612 0.983 25443 1493 1 3 . 1 1 37 37 PRO HA H 37 4.499 4.499 4.707 -0.208 25443 1494 1 3 . 1 1 37 37 PRO C C 37 176.150 176.150 176.010 0.140 25443 1495 1 3 . 1 1 37 37 PRO CA C 37 62.320 62.320 62.634 -0.314 25443 1496 1 3 . 1 1 37 37 PRO CB C 37 31.945 31.945 31.008 0.937 25443 1497 1 3 . 1 1 38 38 VAL N N 38 114.135 114.135 122.564 -8.429 25443 1498 1 3 . 1 1 38 38 VAL HA H 38 4.436 4.436 4.649 -0.213 25443 1499 1 3 . 1 1 38 38 VAL C C 38 175.124 175.124 175.441 -0.317 25443 1500 1 3 . 1 1 38 38 VAL CA C 38 60.488 60.488 59.893 0.595 25443 1501 1 3 . 1 1 38 38 VAL CB C 38 32.560 32.560 34.922 -2.362 25443 1502 1 3 . 1 1 38 38 VAL H H 38 9.006 9.006 7.731 1.275 25443 1503 1 3 . 1 1 39 39 ASP N N 39 118.095 118.095 121.860 -3.765 25443 1504 1 3 . 1 1 39 39 ASP HA H 39 4.626 4.626 4.739 -0.113 25443 1505 1 3 . 1 1 39 39 ASP C C 39 174.577 174.577 175.236 -0.659 25443 1506 1 3 . 1 1 39 39 ASP CA C 39 54.706 54.706 55.463 -0.757 25443 1507 1 3 . 1 1 39 39 ASP CB C 39 43.495 43.495 41.692 1.803 25443 1508 1 3 . 1 1 39 39 ASP H H 39 7.454 7.454 8.242 -0.788 25443 1509 1 3 . 1 1 40 40 VAL N N 40 121.566 121.566 121.811 -0.245 25443 1510 1 3 . 1 1 40 40 VAL HA H 40 4.897 4.897 4.695 0.202 25443 1511 1 3 . 1 1 40 40 VAL C C 40 170.928 170.928 174.480 -3.552 25443 1512 1 3 . 1 1 40 40 VAL CA C 40 60.729 60.729 60.661 0.068 25443 1513 1 3 . 1 1 40 40 VAL CB C 40 34.373 34.373 34.129 0.244 25443 1514 1 3 . 1 1 40 40 VAL H H 40 7.576 7.576 8.281 -0.705 25443 1515 1 3 . 1 1 41 41 ILE N N 41 125.247 125.247 128.972 -3.725 25443 1516 1 3 . 1 1 41 41 ILE HA H 41 4.752 4.752 4.303 0.449 25443 1517 1 3 . 1 1 41 41 ILE C C 41 175.440 175.440 173.881 1.559 25443 1518 1 3 . 1 1 41 41 ILE CA C 41 61.609 61.609 59.797 1.812 25443 1519 1 3 . 1 1 41 41 ILE H H 41 8.929 8.929 9.012 -0.083 25443 1520 1 3 . 1 1 42 42 LEU N N 42 128.791 128.791 128.321 0.470 25443 1521 1 3 . 1 1 42 42 LEU HA H 42 4.387 4.387 4.879 -0.492 25443 1522 1 3 . 1 1 42 42 LEU C C 42 174.979 174.979 176.333 -1.354 25443 1523 1 3 . 1 1 42 42 LEU CA C 42 53.345 53.345 53.083 0.262 25443 1524 1 3 . 1 1 42 42 LEU CB C 42 43.298 43.298 45.940 -2.642 25443 1525 1 3 . 1 1 42 42 LEU H H 42 8.309 8.309 8.695 -0.386 25443 1526 1 3 . 1 1 43 43 SER N N 43 122.753 122.753 120.758 1.995 25443 1527 1 3 . 1 1 43 43 SER HA H 43 3.821 3.821 4.505 -0.684 25443 1528 1 3 . 1 1 43 43 SER C C 43 173.870 173.870 173.836 0.034 25443 1529 1 3 . 1 1 43 43 SER CA C 43 59.707 59.707 59.333 0.374 25443 1530 1 3 . 1 1 43 43 SER CB C 43 62.714 62.714 63.613 -0.899 25443 1531 1 3 . 1 1 43 43 SER H H 43 8.317 8.317 9.060 -0.743 25443 1532 1 3 . 1 1 44 44 ARG N N 44 128.068 128.068 125.644 2.424 25443 1533 1 3 . 1 1 44 44 ARG HA H 44 4.763 4.763 5.265 -0.502 25443 1534 1 3 . 1 1 44 44 ARG C C 44 175.094 175.094 175.788 -0.694 25443 1535 1 3 . 1 1 44 44 ARG CA C 44 54.100 54.100 54.916 -0.816 25443 1536 1 3 . 1 1 44 44 ARG CB C 44 34.218 34.218 34.626 -0.408 25443 1537 1 3 . 1 1 44 44 ARG H H 44 8.152 8.152 8.301 -0.149 25443 1538 1 3 . 1 1 45 45 ASP N N 45 123.595 123.595 123.820 -0.225 25443 1539 1 3 . 1 1 45 45 ASP HA H 45 4.172 4.172 4.715 -0.543 25443 1540 1 3 . 1 1 45 45 ASP C C 45 177.467 177.467 177.153 0.314 25443 1541 1 3 . 1 1 45 45 ASP CA C 45 54.898 54.898 54.735 0.163 25443 1542 1 3 . 1 1 45 45 ASP CB C 45 43.568 43.568 42.373 1.195 25443 1543 1 3 . 1 1 45 45 ASP H H 45 8.628 8.628 8.707 -0.079 25443 1544 1 3 . 1 1 46 46 GLU N N 46 125.161 125.161 122.111 3.050 25443 1545 1 3 . 1 1 46 46 GLU HA H 46 3.843 3.843 4.179 -0.336 25443 1546 1 3 . 1 1 46 46 GLU C C 46 175.690 175.690 177.209 -1.519 25443 1547 1 3 . 1 1 46 46 GLU CA C 46 58.861 58.861 58.496 0.365 25443 1548 1 3 . 1 1 46 46 GLU CB C 46 29.636 29.636 29.855 -0.220 25443 1549 1 3 . 1 1 46 46 GLU H H 46 9.013 9.013 8.795 0.218 25443 1550 1 3 . 1 1 47 47 ASN N N 47 115.135 115.135 118.609 -3.474 25443 1551 1 3 . 1 1 47 47 ASN HA H 47 4.842 4.842 4.611 0.231 25443 1552 1 3 . 1 1 47 47 ASN C C 47 176.655 176.655 176.638 0.017 25443 1553 1 3 . 1 1 47 47 ASN CA C 47 54.897 54.897 55.085 -0.188 25443 1554 1 3 . 1 1 47 47 ASN CB C 47 40.141 40.141 38.111 2.030 25443 1555 1 3 . 1 1 47 47 ASN H H 47 8.926 8.926 8.289 0.637 25443 1556 1 3 . 1 1 48 48 THR N N 48 107.544 107.544 113.083 -5.539 25443 1557 1 3 . 1 1 48 48 THR HA H 48 4.400 4.400 4.373 0.027 25443 1558 1 3 . 1 1 48 48 THR C C 48 176.484 176.484 174.680 1.804 25443 1559 1 3 . 1 1 48 48 THR CA C 48 61.513 61.513 62.098 -0.585 25443 1560 1 3 . 1 1 48 48 THR CB C 48 71.189 71.189 69.316 1.873 25443 1561 1 3 . 1 1 48 48 THR H H 48 8.455 8.455 7.858 0.597 25443 1562 1 3 . 1 1 49 49 GLY N N 49 111.753 111.753 108.976 2.777 25443 1563 1 3 . 1 1 49 49 GLY C C 49 173.167 173.167 173.499 -0.332 25443 1564 1 3 . 1 1 49 49 GLY CA C 49 45.628 45.628 45.368 0.260 25443 1565 1 3 . 1 1 49 49 GLY H H 49 8.607 8.607 8.047 0.560 25443 1566 1 3 . 1 1 50 50 GLU N N 50 119.978 119.978 118.390 1.588 25443 1567 1 3 . 1 1 50 50 GLU HA H 50 4.071 4.071 4.524 -0.453 25443 1568 1 3 . 1 1 50 50 GLU C C 50 176.629 176.629 176.173 0.456 25443 1569 1 3 . 1 1 50 50 GLU CA C 50 56.500 56.500 54.801 1.699 25443 1570 1 3 . 1 1 50 50 GLU CB C 50 30.927 30.927 31.067 -0.140 25443 1571 1 3 . 1 1 50 50 GLU H H 50 7.796 7.796 7.935 -0.139 25443 1572 1 3 . 1 1 51 51 SER N N 51 115.672 115.672 116.866 -1.194 25443 1573 1 3 . 1 1 51 51 SER HA H 51 4.205 4.205 4.706 -0.501 25443 1574 1 3 . 1 1 51 51 SER C C 51 176.532 176.532 174.845 1.687 25443 1575 1 3 . 1 1 51 51 SER CA C 51 58.320 58.320 59.517 -1.197 25443 1576 1 3 . 1 1 51 51 SER CB C 51 64.596 64.596 63.305 1.291 25443 1577 1 3 . 1 1 51 51 SER H H 51 8.889 8.889 8.816 0.073 25443 1578 1 3 . 1 1 52 52 GLN N N 52 123.139 123.139 123.532 -0.393 25443 1579 1 3 . 1 1 52 52 GLN HA H 52 4.421 4.421 4.199 0.222 25443 1580 1 3 . 1 1 52 52 GLN C C 52 177.396 177.396 176.252 1.144 25443 1581 1 3 . 1 1 52 52 GLN CA C 52 55.051 55.051 56.507 -1.456 25443 1582 1 3 . 1 1 52 52 GLN CB C 52 29.874 29.874 29.050 0.824 25443 1583 1 3 . 1 1 52 52 GLN H H 52 9.078 9.078 8.983 0.095 25443 1584 1 3 . 1 1 53 53 GLY N N 53 105.904 105.904 105.004 0.900 25443 1585 1 3 . 1 1 53 53 GLY C C 53 172.046 172.046 173.408 -1.362 25443 1586 1 3 . 1 1 53 53 GLY CA C 53 46.550 46.550 44.526 2.024 25443 1587 1 3 . 1 1 53 53 GLY H H 53 8.851 8.851 7.611 1.240 25443 1588 1 3 . 1 1 54 54 PHE N N 54 111.888 111.888 119.873 -7.985 25443 1589 1 3 . 1 1 54 54 PHE HA H 54 5.253 5.253 5.045 0.208 25443 1590 1 3 . 1 1 54 54 PHE C C 54 171.570 171.570 174.397 -2.827 25443 1591 1 3 . 1 1 54 54 PHE CA C 54 55.592 55.592 54.353 1.239 25443 1592 1 3 . 1 1 54 54 PHE CB C 54 40.806 40.806 40.627 0.179 25443 1593 1 3 . 1 1 54 54 PHE H H 54 6.827 6.827 7.614 -0.787 25443 1594 1 3 . 1 1 55 55 ALA N N 55 121.888 121.888 122.738 -0.850 25443 1595 1 3 . 1 1 55 55 ALA HA H 55 5.032 5.032 4.769 0.263 25443 1596 1 3 . 1 1 55 55 ALA C C 55 172.957 172.957 174.724 -1.767 25443 1597 1 3 . 1 1 55 55 ALA CA C 55 49.477 49.477 50.349 -0.872 25443 1598 1 3 . 1 1 55 55 ALA H H 55 8.927 8.927 8.108 0.819 25443 1599 1 3 . 1 1 56 56 TYR N N 56 115.049 115.049 117.018 -1.969 25443 1600 1 3 . 1 1 56 56 TYR HA H 56 5.602 5.602 5.589 0.013 25443 1601 1 3 . 1 1 56 56 TYR C C 56 175.162 175.162 174.347 0.815 25443 1602 1 3 . 1 1 56 56 TYR CA C 56 55.444 55.444 56.520 -1.075 25443 1603 1 3 . 1 1 56 56 TYR CB C 56 42.189 42.189 42.821 -0.632 25443 1604 1 3 . 1 1 56 56 TYR H H 56 9.020 9.020 9.120 -0.100 25443 1605 1 3 . 1 1 57 57 LEU N N 57 122.745 122.745 123.941 -1.196 25443 1606 1 3 . 1 1 57 57 LEU HA H 57 4.713 4.713 5.088 -0.375 25443 1607 1 3 . 1 1 57 57 LEU C C 57 172.371 172.371 174.719 -2.348 25443 1608 1 3 . 1 1 57 57 LEU CA C 57 54.712 54.712 54.438 0.274 25443 1609 1 3 . 1 1 57 57 LEU CB C 57 46.754 46.754 46.047 0.707 25443 1610 1 3 . 1 1 57 57 LEU H H 57 8.706 8.706 8.759 -0.053 25443 1611 1 3 . 1 1 58 58 LYS N N 58 125.469 125.469 128.237 -2.768 25443 1612 1 3 . 1 1 58 58 LYS HA H 58 4.467 4.467 4.705 -0.238 25443 1613 1 3 . 1 1 58 58 LYS C C 58 175.152 175.152 174.240 0.912 25443 1614 1 3 . 1 1 58 58 LYS CA C 58 54.494 54.494 55.454 -0.960 25443 1615 1 3 . 1 1 58 58 LYS CB C 58 36.479 36.479 34.264 2.215 25443 1616 1 3 . 1 1 58 58 LYS H H 58 7.948 7.948 9.120 -1.172 25443 1617 1 3 . 1 1 59 59 TYR N N 59 126.261 126.261 122.292 3.969 25443 1618 1 3 . 1 1 59 59 TYR HA H 59 5.003 5.003 4.809 0.194 25443 1619 1 3 . 1 1 59 59 TYR C C 59 176.020 176.020 173.516 2.504 25443 1620 1 3 . 1 1 59 59 TYR CA C 59 57.992 57.992 55.958 2.034 25443 1621 1 3 . 1 1 59 59 TYR CB C 59 41.715 41.715 40.725 0.990 25443 1622 1 3 . 1 1 59 59 TYR H H 59 8.957 8.957 7.882 1.075 25443 1623 1 3 . 1 1 60 60 GLU N N 60 120.342 120.342 123.739 -3.397 25443 1624 1 3 . 1 1 60 60 GLU HA H 60 3.839 3.839 4.976 -1.137 25443 1625 1 3 . 1 1 60 60 GLU C C 60 175.346 175.346 175.641 -0.295 25443 1626 1 3 . 1 1 60 60 GLU CA C 60 59.057 59.057 55.578 3.479 25443 1627 1 3 . 1 1 60 60 GLU CB C 60 30.653 30.653 30.641 0.012 25443 1628 1 3 . 1 1 60 60 GLU H H 60 8.845 8.845 8.751 0.094 25443 1629 1 3 . 1 1 61 61 ASP N N 61 116.193 116.193 125.958 -9.765 25443 1630 1 3 . 1 1 61 61 ASP HA H 61 4.915 4.915 4.749 0.166 25443 1631 1 3 . 1 1 61 61 ASP C C 61 176.659 176.659 175.307 1.352 25443 1632 1 3 . 1 1 61 61 ASP CA C 61 51.856 51.856 54.898 -3.042 25443 1633 1 3 . 1 1 61 61 ASP CB C 61 43.726 43.726 42.347 1.379 25443 1634 1 3 . 1 1 61 61 ASP H H 61 7.922 7.922 8.246 -0.324 25443 1635 1 3 . 1 1 62 62 GLN N N 62 125.812 125.812 126.038 -0.226 25443 1636 1 3 . 1 1 62 62 GLN HA H 62 4.221 4.221 3.892 0.329 25443 1637 1 3 . 1 1 62 62 GLN C C 62 178.430 178.430 177.275 1.155 25443 1638 1 3 . 1 1 62 62 GLN CA C 62 58.449 58.449 59.692 -1.243 25443 1639 1 3 . 1 1 62 62 GLN CB C 62 28.076 28.076 28.950 -0.874 25443 1640 1 3 . 1 1 62 62 GLN H H 62 8.964 8.964 8.650 0.314 25443 1641 1 3 . 1 1 63 63 ARG N N 63 120.943 120.943 119.021 1.922 25443 1642 1 3 . 1 1 63 63 ARG HA H 63 3.979 3.979 4.031 -0.052 25443 1643 1 3 . 1 1 63 63 ARG C C 63 179.350 179.350 178.640 0.710 25443 1644 1 3 . 1 1 63 63 ARG CA C 63 59.398 59.398 59.657 -0.259 25443 1645 1 3 . 1 1 63 63 ARG CB C 63 29.466 29.466 29.985 -0.519 25443 1646 1 3 . 1 1 63 63 ARG H H 63 8.965 8.965 8.612 0.353 25443 1647 1 3 . 1 1 64 64 SER N N 64 115.358 115.358 114.401 0.957 25443 1648 1 3 . 1 1 64 64 SER HA H 64 3.898 3.898 4.209 -0.311 25443 1649 1 3 . 1 1 64 64 SER C C 64 174.444 174.444 176.714 -2.270 25443 1650 1 3 . 1 1 64 64 SER CA C 64 62.459 62.459 61.737 0.722 25443 1651 1 3 . 1 1 64 64 SER CB C 64 62.040 62.040 62.664 -0.624 25443 1652 1 3 . 1 1 64 64 SER H H 64 8.065 8.065 9.202 -1.137 25443 1653 1 3 . 1 1 65 65 THR N N 65 113.614 113.614 116.204 -2.590 25443 1654 1 3 . 1 1 65 65 THR HA H 65 3.751 3.751 4.584 -0.833 25443 1655 1 3 . 1 1 65 65 THR C C 65 175.357 175.357 176.866 -1.509 25443 1656 1 3 . 1 1 65 65 THR CA C 65 66.292 66.292 65.598 0.694 25443 1657 1 3 . 1 1 65 65 THR CB C 65 68.457 68.457 68.978 -0.521 25443 1658 1 3 . 1 1 65 65 THR H H 65 7.484 7.484 8.049 -0.565 25443 1659 1 3 . 1 1 66 66 ILE N N 66 120.736 120.736 122.519 -1.783 25443 1660 1 3 . 1 1 66 66 ILE HA H 66 3.653 3.653 3.825 -0.172 25443 1661 1 3 . 1 1 66 66 ILE C C 66 177.518 177.518 177.850 -0.332 25443 1662 1 3 . 1 1 66 66 ILE CA C 66 64.014 64.014 64.932 -0.918 25443 1663 1 3 . 1 1 66 66 ILE CB C 66 42.194 42.194 37.608 4.586 25443 1664 1 3 . 1 1 66 66 ILE H H 66 6.976 6.976 7.444 -0.468 25443 1665 1 3 . 1 1 67 67 LEU N N 67 117.584 117.584 121.607 -4.023 25443 1666 1 3 . 1 1 67 67 LEU HA H 67 3.921 3.921 3.886 0.035 25443 1667 1 3 . 1 1 67 67 LEU C C 67 179.650 179.650 178.201 1.449 25443 1668 1 3 . 1 1 67 67 LEU CA C 67 57.452 57.452 58.105 -0.653 25443 1669 1 3 . 1 1 67 67 LEU CB C 67 42.172 42.172 41.169 1.004 25443 1670 1 3 . 1 1 67 67 LEU H H 67 7.006 7.006 7.642 -0.636 25443 1671 1 3 . 1 1 68 68 ALA N N 68 121.025 121.025 120.783 0.242 25443 1672 1 3 . 1 1 68 68 ALA HA H 68 3.285 3.285 3.766 -0.481 25443 1673 1 3 . 1 1 68 68 ALA C C 68 179.216 179.216 180.009 -0.793 25443 1674 1 3 . 1 1 68 68 ALA CA C 68 55.564 55.564 54.758 0.806 25443 1675 1 3 . 1 1 68 68 ALA CB C 68 18.852 18.852 18.243 0.609 25443 1676 1 3 . 1 1 68 68 ALA H H 68 8.121 8.121 8.241 -0.120 25443 1677 1 3 . 1 1 69 69 VAL N N 69 117.799 117.799 117.850 -0.051 25443 1678 1 3 . 1 1 69 69 VAL HA H 69 3.243 3.243 3.620 -0.377 25443 1679 1 3 . 1 1 69 69 VAL C C 69 178.541 178.541 178.098 0.443 25443 1680 1 3 . 1 1 69 69 VAL CA C 69 67.237 67.237 66.720 0.517 25443 1681 1 3 . 1 1 69 69 VAL CB C 69 31.679 31.679 31.135 0.544 25443 1682 1 3 . 1 1 69 69 VAL H H 69 8.012 8.012 8.259 -0.247 25443 1683 1 3 . 1 1 70 70 ASP N N 70 117.013 117.013 118.713 -1.700 25443 1684 1 3 . 1 1 70 70 ASP HA H 70 4.339 4.339 4.442 -0.103 25443 1685 1 3 . 1 1 70 70 ASP C C 70 178.330 178.330 178.261 0.069 25443 1686 1 3 . 1 1 70 70 ASP CA C 70 57.131 57.131 56.859 0.272 25443 1687 1 3 . 1 1 70 70 ASP CB C 70 40.465 40.465 41.157 -0.692 25443 1688 1 3 . 1 1 70 70 ASP H H 70 8.216 8.216 8.300 -0.084 25443 1689 1 3 . 1 1 71 71 ASN N N 71 112.777 112.777 117.160 -4.383 25443 1690 1 3 . 1 1 71 71 ASN HA H 71 4.587 4.587 4.581 0.006 25443 1691 1 3 . 1 1 71 71 ASN C C 71 176.314 176.314 177.087 -0.773 25443 1692 1 3 . 1 1 71 71 ASN CA C 71 55.474 55.474 55.538 -0.064 25443 1693 1 3 . 1 1 71 71 ASN CB C 71 40.592 40.592 38.907 1.685 25443 1694 1 3 . 1 1 71 71 ASN H H 71 7.582 7.582 8.302 -0.720 25443 1695 1 3 . 1 1 72 72 LEU N N 72 116.551 116.551 117.407 -0.856 25443 1696 1 3 . 1 1 72 72 LEU HA H 72 4.494 4.494 4.360 0.134 25443 1697 1 3 . 1 1 72 72 LEU C C 72 177.500 177.500 176.478 1.022 25443 1698 1 3 . 1 1 72 72 LEU CA C 72 54.590 54.590 54.769 -0.179 25443 1699 1 3 . 1 1 72 72 LEU CB C 72 42.862 42.862 42.318 0.544 25443 1700 1 3 . 1 1 72 72 LEU H H 72 8.201 8.201 7.581 0.620 25443 1701 1 3 . 1 1 73 73 ASN N N 73 118.974 118.974 118.675 0.299 25443 1702 1 3 . 1 1 73 73 ASN HA H 73 4.392 4.392 4.674 -0.282 25443 1703 1 3 . 1 1 73 73 ASN C C 73 177.151 177.151 176.756 0.395 25443 1704 1 3 . 1 1 73 73 ASN CA C 73 56.276 56.276 54.839 1.437 25443 1705 1 3 . 1 1 73 73 ASN CB C 73 38.853 38.853 37.729 1.124 25443 1706 1 3 . 1 1 73 73 ASN H H 73 7.406 7.406 7.541 -0.135 25443 1707 1 3 . 1 1 74 74 GLY N N 74 116.478 116.478 114.362 2.116 25443 1708 1 3 . 1 1 74 74 GLY C C 74 172.756 172.756 173.845 -1.089 25443 1709 1 3 . 1 1 74 74 GLY CA C 74 45.662 45.662 45.184 0.478 25443 1710 1 3 . 1 1 74 74 GLY H H 74 9.106 9.106 9.008 0.099 25443 1711 1 3 . 1 1 75 75 PHE N N 75 123.853 123.853 122.512 1.341 25443 1712 1 3 . 1 1 75 75 PHE HA H 75 4.328 4.328 4.481 -0.153 25443 1713 1 3 . 1 1 75 75 PHE C C 75 175.065 175.065 174.501 0.564 25443 1714 1 3 . 1 1 75 75 PHE CA C 75 58.371 58.371 57.690 0.681 25443 1715 1 3 . 1 1 75 75 PHE CB C 75 40.947 40.947 40.140 0.807 25443 1716 1 3 . 1 1 75 75 PHE H H 75 8.074 8.074 7.970 0.104 25443 1717 1 3 . 1 1 76 76 LYS N N 76 126.700 126.700 127.508 -0.808 25443 1718 1 3 . 1 1 76 76 LYS HA H 76 4.536 4.536 5.207 -0.671 25443 1719 1 3 . 1 1 76 76 LYS C C 76 175.395 175.395 175.746 -0.351 25443 1720 1 3 . 1 1 76 76 LYS CA C 76 56.227 56.227 54.511 1.716 25443 1721 1 3 . 1 1 76 76 LYS CB C 76 32.969 32.969 32.524 0.445 25443 1722 1 3 . 1 1 76 76 LYS H H 76 7.766 7.766 7.885 -0.119 25443 1723 1 3 . 1 1 77 77 ILE N N 77 120.686 120.686 123.981 -3.295 25443 1724 1 3 . 1 1 77 77 ILE HA H 77 4.231 4.231 4.069 0.162 25443 1725 1 3 . 1 1 77 77 ILE C C 77 177.605 177.605 176.341 1.264 25443 1726 1 3 . 1 1 77 77 ILE CA C 77 59.981 59.981 60.816 -0.835 25443 1727 1 3 . 1 1 77 77 ILE CB C 77 40.409 40.409 39.761 0.647 25443 1728 1 3 . 1 1 77 77 ILE H H 77 8.005 8.005 8.855 -0.850 25443 1729 1 3 . 1 1 78 78 GLY N N 78 118.352 118.352 115.868 2.484 25443 1730 1 3 . 1 1 78 78 GLY C C 78 175.639 175.639 175.345 0.294 25443 1731 1 3 . 1 1 78 78 GLY CA C 78 47.227 47.227 45.241 1.986 25443 1732 1 3 . 1 1 78 78 GLY H H 78 9.800 9.800 9.064 0.736 25443 1733 1 3 . 1 1 79 79 GLY N N 79 104.167 104.167 103.832 0.335 25443 1734 1 3 . 1 1 79 79 GLY C C 79 173.371 173.371 174.361 -0.990 25443 1735 1 3 . 1 1 79 79 GLY CA C 79 45.037 45.037 44.803 0.234 25443 1736 1 3 . 1 1 79 79 GLY H H 79 8.795 8.795 8.243 0.552 25443 1737 1 3 . 1 1 80 80 ARG N N 80 119.090 119.090 121.231 -2.141 25443 1738 1 3 . 1 1 80 80 ARG HA H 80 4.590 4.590 4.614 -0.024 25443 1739 1 3 . 1 1 80 80 ARG C C 80 174.563 174.563 174.524 0.039 25443 1740 1 3 . 1 1 80 80 ARG CA C 80 54.615 54.615 53.916 0.699 25443 1741 1 3 . 1 1 80 80 ARG CB C 80 33.487 33.487 31.631 1.856 25443 1742 1 3 . 1 1 80 80 ARG H H 80 7.281 7.281 7.666 -0.385 25443 1743 1 3 . 1 1 81 81 ALA N N 81 126.039 126.039 125.070 0.969 25443 1744 1 3 . 1 1 81 81 ALA HA H 81 4.216 4.216 5.033 -0.817 25443 1745 1 3 . 1 1 81 81 ALA C C 81 177.149 177.149 176.968 0.181 25443 1746 1 3 . 1 1 81 81 ALA CA C 81 51.081 51.081 50.511 0.570 25443 1747 1 3 . 1 1 81 81 ALA CB C 81 19.226 19.226 20.179 -0.953 25443 1748 1 3 . 1 1 81 81 ALA H H 81 8.651 8.651 8.379 0.272 25443 1749 1 3 . 1 1 82 82 LEU N N 82 125.451 125.451 125.095 0.356 25443 1750 1 3 . 1 1 82 82 LEU HA H 82 4.390 4.390 4.384 0.006 25443 1751 1 3 . 1 1 82 82 LEU C C 82 177.498 177.498 176.479 1.019 25443 1752 1 3 . 1 1 82 82 LEU CA C 82 56.065 56.065 54.956 1.109 25443 1753 1 3 . 1 1 82 82 LEU CB C 82 43.267 43.267 42.529 0.738 25443 1754 1 3 . 1 1 82 82 LEU H H 82 8.805 8.805 8.775 0.030 25443 1755 1 3 . 1 1 83 83 LYS N N 83 123.253 123.253 124.181 -0.928 25443 1756 1 3 . 1 1 83 83 LYS C C 83 174.892 174.892 174.728 0.164 25443 1757 1 3 . 1 1 83 83 LYS CA C 83 54.892 54.892 54.134 0.758 25443 1758 1 3 . 1 1 83 83 LYS H H 83 7.768 7.768 8.574 -0.806 25443 1759 1 3 . 1 1 84 84 ILE N N 84 125.577 125.577 123.712 1.865 25443 1760 1 3 . 1 1 84 84 ILE HA H 84 5.581 5.581 5.290 0.291 25443 1761 1 3 . 1 1 84 84 ILE C C 84 174.901 174.901 175.916 -1.015 25443 1762 1 3 . 1 1 84 84 ILE CA C 84 58.803 58.803 57.972 0.831 25443 1763 1 3 . 1 1 84 84 ILE CB C 84 40.306 40.306 39.865 0.441 25443 1764 1 3 . 1 1 84 84 ILE H H 84 8.616 8.616 8.576 0.040 25443 1765 1 3 . 1 1 85 85 ASP N N 85 125.373 125.373 123.563 1.810 25443 1766 1 3 . 1 1 85 85 ASP HA H 85 4.909 4.909 4.825 0.084 25443 1767 1 3 . 1 1 85 85 ASP C C 85 174.826 174.826 174.082 0.744 25443 1768 1 3 . 1 1 85 85 ASP CA C 85 52.372 52.372 52.525 -0.153 25443 1769 1 3 . 1 1 85 85 ASP CB C 85 45.290 45.290 44.684 0.607 25443 1770 1 3 . 1 1 85 85 ASP H H 85 8.907 8.907 8.852 0.055 25443 1771 1 3 . 1 1 86 86 HIS N N 86 121.396 121.396 122.310 -0.914 25443 1772 1 3 . 1 1 86 86 HIS CA C 86 57.540 57.540 57.966 -0.426 25443 1773 1 3 . 1 1 86 86 HIS CB C 86 30.985 30.985 30.717 0.268 25443 1774 1 3 . 1 1 86 86 HIS H H 86 8.970 8.970 8.711 0.259 25443 1775 1 3 . 1 1 87 87 THR N N 87 116.761 116.761 117.613 -0.852 25443 1776 1 3 . 1 1 87 87 THR HA H 87 4.652 4.652 4.499 0.153 25443 1777 1 3 . 1 1 87 87 THR C C 87 171.272 171.272 172.895 -1.623 25443 1778 1 3 . 1 1 87 87 THR CA C 87 60.710 60.710 61.120 -0.410 25443 1779 1 3 . 1 1 87 87 THR CB C 87 69.764 69.764 70.394 -0.630 25443 1780 1 3 . 1 1 87 87 THR H H 87 8.557 8.557 8.195 0.362 25443 1781 1 3 . 1 1 88 88 PHE N N 88 120.343 120.343 125.389 -5.046 25443 1782 1 3 . 1 1 88 88 PHE HA H 88 5.273 5.273 5.047 0.226 25443 1783 1 3 . 1 1 88 88 PHE C C 88 174.288 174.288 173.666 0.622 25443 1784 1 3 . 1 1 88 88 PHE CA C 88 55.959 55.959 57.321 -1.362 25443 1785 1 3 . 1 1 88 88 PHE CB C 88 41.079 41.079 41.812 -0.733 25443 1786 1 3 . 1 1 88 88 PHE H H 88 8.114 8.114 8.434 -0.320 25443 1787 1 3 . 1 1 89 89 TYR N N 89 123.043 123.043 127.458 -4.415 25443 1788 1 3 . 1 1 89 89 TYR HA H 89 4.026 4.026 4.617 -0.591 25443 1789 1 3 . 1 1 89 89 TYR C C 89 173.155 173.155 173.409 -0.254 25443 1790 1 3 . 1 1 89 89 TYR CA C 89 57.493 57.493 57.217 0.276 25443 1791 1 3 . 1 1 89 89 TYR CB C 89 39.829 39.829 42.034 -2.205 25443 1792 1 3 . 1 1 89 89 TYR H H 89 8.176 8.176 7.998 0.178 25443 1793 1 3 . 1 1 90 90 ARG N N 90 129.004 129.004 126.468 2.536 25443 1794 1 3 . 1 1 90 90 ARG HA H 90 4.398 4.398 4.223 0.175 25443 1795 1 3 . 1 1 90 90 ARG CA C 90 51.548 51.548 52.137 -0.589 25443 1796 1 3 . 1 1 90 90 ARG CB C 90 30.882 30.882 29.830 1.052 25443 1797 1 3 . 1 1 90 90 ARG H H 90 7.078 7.078 7.978 -0.900 25443 1798 1 3 . 1 1 91 91 PRO HA H 91 4.155 4.155 3.947 0.208 25443 1799 1 3 . 1 1 91 91 PRO C C 91 176.340 176.340 176.758 -0.418 25443 1800 1 3 . 1 1 91 91 PRO CA C 91 62.454 62.454 62.619 -0.165 25443 1801 1 3 . 1 1 91 91 PRO CB C 91 33.072 33.072 31.176 1.896 25443 1802 1 3 . 1 1 92 92 LYS N N 92 119.682 119.682 125.712 -6.030 25443 1803 1 3 . 1 1 92 92 LYS CA C 92 54.711 54.711 55.717 -1.006 25443 1804 1 3 . 1 1 92 92 LYS H H 92 8.644 8.644 7.801 0.843 25443 1805 1 3 . 1 1 93 93 ARG C C 93 178.899 178.899 177.825 1.074 25443 1806 1 3 . 1 1 93 93 ARG CA C 93 59.125 59.125 58.425 0.700 25443 1807 1 3 . 1 1 94 94 SER N N 94 112.166 112.166 114.106 -1.940 25443 1808 1 3 . 1 1 94 94 SER HA H 94 4.176 4.176 4.389 -0.213 25443 1809 1 3 . 1 1 94 94 SER C C 94 175.776 175.776 175.262 0.514 25443 1810 1 3 . 1 1 94 94 SER CA C 94 60.031 60.031 60.699 -0.668 25443 1811 1 3 . 1 1 94 94 SER CB C 94 62.152 62.152 62.973 -0.821 25443 1812 1 3 . 1 1 94 94 SER H H 94 8.299 8.299 8.328 -0.029 25443 1813 1 3 . 1 1 95 95 LEU N N 95 122.179 122.179 121.258 0.921 25443 1814 1 3 . 1 1 95 95 LEU HA H 95 4.651 4.651 4.831 -0.180 25443 1815 1 3 . 1 1 95 95 LEU C C 95 175.381 175.381 176.731 -1.350 25443 1816 1 3 . 1 1 95 95 LEU CA C 95 53.934 53.934 53.343 0.591 25443 1817 1 3 . 1 1 95 95 LEU CB C 95 41.861 41.861 42.666 -0.805 25443 1818 1 3 . 1 1 95 95 LEU H H 95 7.159 7.159 7.419 -0.260 25443 1819 1 3 . 1 1 96 96 GLN N N 96 118.834 118.834 120.495 -1.661 25443 1820 1 3 . 1 1 96 96 GLN HA H 96 4.030 4.030 4.038 -0.008 25443 1821 1 3 . 1 1 96 96 GLN C C 96 177.751 177.751 177.617 0.134 25443 1822 1 3 . 1 1 96 96 GLN CA C 96 60.705 60.705 59.491 1.214 25443 1823 1 3 . 1 1 96 96 GLN CB C 96 28.822 28.822 28.194 0.628 25443 1824 1 3 . 1 1 96 96 GLN H H 96 7.329 7.329 7.608 -0.279 25443 1825 1 3 . 1 1 97 97 LYS N N 97 116.469 116.469 119.658 -3.189 25443 1826 1 3 . 1 1 97 97 LYS HA H 97 4.060 4.060 4.044 0.016 25443 1827 1 3 . 1 1 97 97 LYS C C 97 179.164 179.164 179.034 0.130 25443 1828 1 3 . 1 1 97 97 LYS CA C 97 59.430 59.430 59.115 0.315 25443 1829 1 3 . 1 1 97 97 LYS CB C 97 31.511 31.511 31.834 -0.323 25443 1830 1 3 . 1 1 97 97 LYS H H 97 8.614 8.614 8.250 0.364 25443 1831 1 3 . 1 1 98 98 TYR N N 98 124.165 124.165 121.718 2.447 25443 1832 1 3 . 1 1 98 98 TYR HA H 98 4.079 4.079 4.111 -0.032 25443 1833 1 3 . 1 1 98 98 TYR C C 98 177.316 177.316 177.830 -0.514 25443 1834 1 3 . 1 1 98 98 TYR CA C 98 62.205 62.205 62.017 0.188 25443 1835 1 3 . 1 1 98 98 TYR CB C 98 37.162 37.162 38.426 -1.264 25443 1836 1 3 . 1 1 98 98 TYR H H 98 7.585 7.585 7.685 -0.100 25443 1837 1 3 . 1 1 99 99 TYR N N 99 117.955 117.955 117.635 0.320 25443 1838 1 3 . 1 1 99 99 TYR HA H 99 5.078 5.078 4.202 0.876 25443 1839 1 3 . 1 1 99 99 TYR C C 99 180.957 180.957 178.487 2.470 25443 1840 1 3 . 1 1 99 99 TYR CA C 99 57.741 57.741 62.506 -4.765 25443 1841 1 3 . 1 1 99 99 TYR CB C 99 37.083 37.083 37.958 -0.875 25443 1842 1 3 . 1 1 99 99 TYR H H 99 8.660 8.660 8.007 0.653 25443 1843 1 3 . 1 1 100 100 GLU N N 100 118.796 118.796 119.224 -0.428 25443 1844 1 3 . 1 1 100 100 GLU HA H 100 4.024 4.024 3.966 0.058 25443 1845 1 3 . 1 1 100 100 GLU C C 100 178.571 178.571 178.615 -0.044 25443 1846 1 3 . 1 1 100 100 GLU CA C 100 59.400 59.400 59.595 -0.195 25443 1847 1 3 . 1 1 100 100 GLU CB C 100 29.660 29.660 29.520 0.140 25443 1848 1 3 . 1 1 100 100 GLU H H 100 8.263 8.263 8.437 -0.174 25443 1849 1 3 . 1 1 101 101 ALA N N 101 123.346 123.346 122.691 0.655 25443 1850 1 3 . 1 1 101 101 ALA HA H 101 4.244 4.244 3.984 0.260 25443 1851 1 3 . 1 1 101 101 ALA C C 101 181.331 181.331 179.724 1.607 25443 1852 1 3 . 1 1 101 101 ALA CA C 101 54.851 54.851 55.225 -0.374 25443 1853 1 3 . 1 1 101 101 ALA CB C 101 18.559 18.559 18.408 0.151 25443 1854 1 3 . 1 1 101 101 ALA H H 101 7.966 7.966 8.292 -0.326 25443 1855 1 3 . 1 1 102 102 VAL N N 102 120.241 120.241 119.187 1.054 25443 1856 1 3 . 1 1 102 102 VAL HA H 102 3.713 3.713 3.540 0.173 25443 1857 1 3 . 1 1 102 102 VAL C C 102 176.967 176.967 177.887 -0.920 25443 1858 1 3 . 1 1 102 102 VAL CA C 102 67.433 67.433 67.028 0.404 25443 1859 1 3 . 1 1 102 102 VAL CB C 102 31.721 31.721 31.513 0.208 25443 1860 1 3 . 1 1 102 102 VAL H H 102 8.331 8.331 8.089 0.242 25443 1861 1 3 . 1 1 103 103 LYS N N 103 120.001 120.001 119.696 0.305 25443 1862 1 3 . 1 1 103 103 LYS HA H 103 3.859 3.859 3.981 -0.122 25443 1863 1 3 . 1 1 103 103 LYS C C 103 178.500 178.500 179.006 -0.506 25443 1864 1 3 . 1 1 103 103 LYS CA C 103 59.652 59.652 59.925 -0.273 25443 1865 1 3 . 1 1 103 103 LYS CB C 103 32.040 32.040 32.341 -0.301 25443 1866 1 3 . 1 1 103 103 LYS H H 103 8.201 8.201 7.841 0.360 25443 1867 1 3 . 1 1 104 104 GLU N N 104 116.335 116.335 118.264 -1.929 25443 1868 1 3 . 1 1 104 104 GLU HA H 104 3.928 3.928 4.105 -0.177 25443 1869 1 3 . 1 1 104 104 GLU C C 104 178.645 178.645 179.112 -0.467 25443 1870 1 3 . 1 1 104 104 GLU CA C 104 59.110 59.110 59.061 0.049 25443 1871 1 3 . 1 1 104 104 GLU CB C 104 29.607 29.607 29.331 0.276 25443 1872 1 3 . 1 1 104 104 GLU H H 104 7.909 7.909 8.231 -0.322 25443 1873 1 3 . 1 1 105 105 GLU N N 105 119.210 119.210 120.587 -1.377 25443 1874 1 3 . 1 1 105 105 GLU HA H 105 3.844 3.844 4.125 -0.281 25443 1875 1 3 . 1 1 105 105 GLU C C 105 178.613 178.613 179.190 -0.577 25443 1876 1 3 . 1 1 105 105 GLU CA C 105 58.162 58.162 58.705 -0.543 25443 1877 1 3 . 1 1 105 105 GLU CB C 105 29.754 29.754 29.158 0.596 25443 1878 1 3 . 1 1 105 105 GLU H H 105 7.257 7.257 7.941 -0.684 25443 1879 1 3 . 1 1 106 106 LEU N N 106 117.408 117.408 119.677 -2.269 25443 1880 1 3 . 1 1 106 106 LEU HA H 106 3.976 3.976 3.965 0.011 25443 1881 1 3 . 1 1 106 106 LEU C C 106 178.646 178.646 178.980 -0.334 25443 1882 1 3 . 1 1 106 106 LEU CA C 106 56.699 56.699 58.102 -1.403 25443 1883 1 3 . 1 1 106 106 LEU CB C 106 40.455 40.455 41.545 -1.090 25443 1884 1 3 . 1 1 106 106 LEU H H 106 8.169 8.169 7.937 0.232 25443 1885 1 3 . 1 1 107 107 ASP N N 107 119.073 119.073 119.192 -0.119 25443 1886 1 3 . 1 1 107 107 ASP HA H 107 4.521 4.521 4.399 0.122 25443 1887 1 3 . 1 1 107 107 ASP C C 107 177.069 177.069 179.134 -2.065 25443 1888 1 3 . 1 1 107 107 ASP CA C 107 55.099 55.099 57.683 -2.584 25443 1889 1 3 . 1 1 107 107 ASP CB C 107 40.670 40.670 40.429 0.241 25443 1890 1 3 . 1 1 107 107 ASP H H 107 8.003 8.003 7.794 0.209 25443 1891 1 3 . 1 1 108 108 ARG N N 108 120.705 120.705 117.334 3.371 25443 1892 1 3 . 1 1 108 108 ARG HA H 108 4.067 4.067 4.093 -0.027 25443 1893 1 3 . 1 1 108 108 ARG C C 108 176.990 176.990 177.989 -0.999 25443 1894 1 3 . 1 1 108 108 ARG CA C 108 57.517 57.517 58.981 -1.464 25443 1895 1 3 . 1 1 108 108 ARG CB C 108 30.407 30.407 30.133 0.274 25443 1896 1 3 . 1 1 108 108 ARG H H 108 7.603 7.603 7.892 -0.289 25443 1897 1 3 . 1 1 109 109 ASP N N 109 120.246 120.246 118.713 1.533 25443 1898 1 3 . 1 1 109 109 ASP HA H 109 4.521 4.521 4.537 -0.016 25443 1899 1 3 . 1 1 109 109 ASP C C 109 176.630 176.630 177.995 -1.365 25443 1900 1 3 . 1 1 109 109 ASP CA C 109 55.028 55.028 56.140 -1.112 25443 1901 1 3 . 1 1 109 109 ASP CB C 109 40.936 40.936 41.106 -0.170 25443 1902 1 3 . 1 1 109 109 ASP H H 109 8.226 8.226 7.635 0.591 25443 1903 1 3 . 1 1 110 110 ILE N N 110 120.386 120.386 118.777 1.609 25443 1904 1 3 . 1 1 110 110 ILE HA H 110 3.987 3.987 3.948 0.039 25443 1905 1 3 . 1 1 110 110 ILE C C 110 176.996 176.996 177.641 -0.645 25443 1906 1 3 . 1 1 110 110 ILE CA C 110 62.241 62.241 62.739 -0.498 25443 1907 1 3 . 1 1 110 110 ILE CB C 110 38.359 38.359 38.006 0.353 25443 1908 1 3 . 1 1 110 110 ILE H H 110 7.863 7.863 8.026 -0.163 25443 1909 1 3 . 1 1 111 111 VAL N N 111 122.548 122.548 115.209 7.339 25443 1910 1 3 . 1 1 111 111 VAL HA H 111 3.946 3.946 3.587 0.359 25443 1911 1 3 . 1 1 111 111 VAL C C 111 176.938 176.938 176.180 0.758 25443 1912 1 3 . 1 1 111 111 VAL CA C 111 63.499 63.499 65.550 -2.051 25443 1913 1 3 . 1 1 111 111 VAL CB C 111 32.223 32.223 30.703 1.520 25443 1914 1 3 . 1 1 111 111 VAL H H 111 8.016 8.016 8.756 -0.740 25443 1915 1 3 . 1 1 112 112 SER N N 112 117.984 117.984 114.339 3.645 25443 1916 1 3 . 1 1 112 112 SER HA H 112 4.317 4.317 4.501 -0.184 25443 1917 1 3 . 1 1 112 112 SER C C 112 175.154 175.154 173.594 1.560 25443 1918 1 3 . 1 1 112 112 SER CA C 112 59.025 59.025 58.340 0.686 25443 1919 1 3 . 1 1 112 112 SER CB C 112 63.419 63.419 65.498 -2.079 25443 1920 1 3 . 1 1 112 112 SER H H 112 8.187 8.187 8.339 -0.152 25443 1921 1 3 . 1 1 113 113 LYS N N 113 122.727 122.727 121.403 1.324 25443 1922 1 3 . 1 1 113 113 LYS HA H 113 4.209 4.209 4.097 0.112 25443 1923 1 3 . 1 1 113 113 LYS C C 113 176.713 176.713 174.272 2.441 25443 1924 1 3 . 1 1 113 113 LYS CA C 113 56.844 56.844 56.571 0.274 25443 1925 1 3 . 1 1 113 113 LYS CB C 113 32.794 32.794 32.910 -0.116 25443 1926 1 3 . 1 1 113 113 LYS H H 113 8.152 8.152 8.387 -0.235 25443 1927 1 3 . 1 1 114 114 ASN N N 114 118.886 118.886 122.955 -4.069 25443 1928 1 3 . 1 1 114 114 ASN C C 114 175.227 175.227 174.304 0.923 25443 1929 1 3 . 1 1 114 114 ASN CA C 114 53.549 53.549 52.983 0.566 25443 1930 1 3 . 1 1 114 114 ASN H H 114 8.261 8.261 8.675 -0.414 25443 1931 1 3 . 1 1 115 115 ASN N N 115 119.345 119.345 123.839 -4.494 25443 1932 1 3 . 1 1 115 115 ASN C C 115 174.896 174.896 173.823 1.073 25443 1933 1 3 . 1 1 115 115 ASN CA C 115 53.476 53.476 52.270 1.206 25443 1934 1 3 . 1 1 115 115 ASN H H 115 8.257 8.257 7.916 0.341 25443 1935 1 3 . 1 1 116 116 ALA N N 116 123.669 123.669 120.733 2.936 25443 1936 1 3 . 1 1 116 116 ALA HA H 116 4.254 4.254 4.433 -0.179 25443 1937 1 3 . 1 1 116 116 ALA C C 116 177.567 177.567 177.228 0.339 25443 1938 1 3 . 1 1 116 116 ALA CA C 116 52.678 52.678 52.176 0.502 25443 1939 1 3 . 1 1 116 116 ALA CB C 116 19.243 19.243 19.317 -0.074 25443 1940 1 3 . 1 1 116 116 ALA H H 116 8.094 8.094 8.271 -0.177 25443 1941 1 3 . 1 1 117 117 GLU N N 117 120.083 120.083 115.076 5.007 25443 1942 1 3 . 1 1 117 117 GLU C C 117 175.564 175.564 175.944 -0.380 25443 1943 1 3 . 1 1 117 117 GLU CA C 117 56.602 56.602 57.587 -0.984 25443 1944 1 3 . 1 1 117 117 GLU H H 117 8.221 8.221 8.725 -0.504 25443 1945 1 4 . 1 1 2 2 ALA HA H 2 4.286 4.286 4.681 -0.395 25443 1946 1 4 . 1 1 2 2 ALA C C 2 177.853 177.853 178.138 -0.285 25443 1947 1 4 . 1 1 2 2 ALA CA C 2 52.661 52.661 52.031 0.630 25443 1948 1 4 . 1 1 2 2 ALA CB C 2 19.308 19.308 18.756 0.552 25443 1949 1 4 . 1 1 3 3 MET N N 3 119.404 119.404 124.289 -4.885 25443 1950 1 4 . 1 1 3 3 MET HA H 3 4.435 4.435 4.404 0.031 25443 1951 1 4 . 1 1 3 3 MET C C 3 176.731 176.731 178.270 -1.539 25443 1952 1 4 . 1 1 3 3 MET CA C 3 55.503 55.503 58.901 -3.398 25443 1953 1 4 . 1 1 3 3 MET CB C 3 32.795 32.795 32.637 0.158 25443 1954 1 4 . 1 1 3 3 MET H H 3 8.530 8.530 8.258 0.272 25443 1955 1 4 . 1 1 4 4 GLY N N 4 109.968 109.968 105.337 4.631 25443 1956 1 4 . 1 1 4 4 GLY C C 4 174.057 174.057 175.022 -0.965 25443 1957 1 4 . 1 1 4 4 GLY CA C 4 45.363 45.363 46.261 -0.898 25443 1958 1 4 . 1 1 4 4 GLY H H 4 8.414 8.414 8.709 -0.295 25443 1959 1 4 . 1 1 5 5 ASN N N 5 118.659 118.659 117.876 0.783 25443 1960 1 4 . 1 1 5 5 ASN HA H 5 4.606 4.606 4.868 -0.262 25443 1961 1 4 . 1 1 5 5 ASN C C 5 175.443 175.443 176.910 -1.467 25443 1962 1 4 . 1 1 5 5 ASN CA C 5 53.530 53.530 54.460 -0.930 25443 1963 1 4 . 1 1 5 5 ASN CB C 5 38.876 38.876 39.309 -0.433 25443 1964 1 4 . 1 1 5 5 ASN H H 5 8.326 8.326 7.777 0.549 25443 1965 1 4 . 1 1 6 6 GLU N N 6 120.909 120.909 120.296 0.613 25443 1966 1 4 . 1 1 6 6 GLU HA H 6 4.097 4.097 4.085 0.012 25443 1967 1 4 . 1 1 6 6 GLU C C 6 176.261 176.261 177.879 -1.618 25443 1968 1 4 . 1 1 6 6 GLU CA C 6 57.171 57.171 58.672 -1.501 25443 1969 1 4 . 1 1 6 6 GLU CB C 6 29.715 29.715 30.466 -0.751 25443 1970 1 4 . 1 1 6 6 GLU H H 6 8.633 8.633 8.261 0.372 25443 1971 1 4 . 1 1 7 7 TYR N N 7 120.283 120.283 118.996 1.287 25443 1972 1 4 . 1 1 7 7 TYR HA H 7 4.440 4.440 4.986 -0.546 25443 1973 1 4 . 1 1 7 7 TYR C C 7 175.789 175.789 176.182 -0.393 25443 1974 1 4 . 1 1 7 7 TYR CA C 7 58.061 58.061 57.024 1.037 25443 1975 1 4 . 1 1 7 7 TYR CB C 7 38.193 38.193 36.643 1.550 25443 1976 1 4 . 1 1 7 7 TYR H H 7 8.069 8.069 8.308 -0.239 25443 1977 1 4 . 1 1 8 8 LYS N N 8 121.780 121.780 121.631 0.149 25443 1978 1 4 . 1 1 8 8 LYS HA H 8 4.107 4.107 4.276 -0.169 25443 1979 1 4 . 1 1 8 8 LYS C C 8 175.970 175.970 177.137 -1.167 25443 1980 1 4 . 1 1 8 8 LYS CA C 8 56.550 56.550 58.144 -1.594 25443 1981 1 4 . 1 1 8 8 LYS CB C 8 33.141 33.141 32.729 0.412 25443 1982 1 4 . 1 1 8 8 LYS H H 8 7.868 7.868 7.848 0.020 25443 1983 1 4 . 1 1 9 9 ASP N N 9 119.825 119.825 115.644 4.181 25443 1984 1 4 . 1 1 9 9 ASP HA H 9 4.577 4.577 4.618 -0.041 25443 1985 1 4 . 1 1 9 9 ASP C C 9 175.979 175.979 175.951 0.028 25443 1986 1 4 . 1 1 9 9 ASP CA C 9 54.608 54.608 54.759 -0.151 25443 1987 1 4 . 1 1 9 9 ASP CB C 9 41.455 41.455 40.123 1.332 25443 1988 1 4 . 1 1 9 9 ASP H H 9 8.164 8.164 8.760 -0.596 25443 1989 1 4 . 1 1 10 10 ASN N N 10 119.410 119.410 118.404 1.006 25443 1990 1 4 . 1 1 10 10 ASN HA H 10 4.935 4.935 4.858 0.077 25443 1991 1 4 . 1 1 10 10 ASN C C 10 174.654 174.654 174.853 -0.199 25443 1992 1 4 . 1 1 10 10 ASN CA C 10 52.792 52.792 53.966 -1.174 25443 1993 1 4 . 1 1 10 10 ASN CB C 10 38.554 38.554 39.836 -1.282 25443 1994 1 4 . 1 1 10 10 ASN H H 10 8.284 8.284 7.628 0.656 25443 1995 1 4 . 1 1 11 11 ALA N N 11 122.716 122.716 124.093 -1.377 25443 1996 1 4 . 1 1 11 11 ALA HA H 11 4.521 4.521 4.248 0.273 25443 1997 1 4 . 1 1 11 11 ALA CA C 11 53.148 53.148 52.579 0.569 25443 1998 1 4 . 1 1 11 11 ALA CB C 11 19.223 19.223 18.016 1.207 25443 1999 1 4 . 1 1 11 11 ALA H H 11 8.260 8.260 7.286 0.974 25443 2000 1 4 . 1 1 12 12 TYR HA H 12 4.943 4.943 5.527 -0.584 25443 2001 1 4 . 1 1 12 12 TYR C C 12 177.075 177.075 174.908 2.167 25443 2002 1 4 . 1 1 12 12 TYR CA C 12 57.314 57.314 56.369 0.945 25443 2003 1 4 . 1 1 12 12 TYR CB C 12 42.614 42.614 43.238 -0.624 25443 2004 1 4 . 1 1 13 13 ILE N N 13 114.211 114.211 117.649 -3.438 25443 2005 1 4 . 1 1 13 13 ILE HA H 13 4.981 4.981 5.192 -0.211 25443 2006 1 4 . 1 1 13 13 ILE C C 13 174.500 174.500 174.040 0.460 25443 2007 1 4 . 1 1 13 13 ILE CA C 13 60.380 60.380 59.037 1.343 25443 2008 1 4 . 1 1 13 13 ILE CB C 13 39.792 39.792 41.566 -1.774 25443 2009 1 4 . 1 1 13 13 ILE H H 13 9.358 9.358 8.950 0.408 25443 2010 1 4 . 1 1 14 14 TYR N N 14 124.891 124.891 127.490 -2.599 25443 2011 1 4 . 1 1 14 14 TYR HA H 14 4.579 4.579 5.159 -0.580 25443 2012 1 4 . 1 1 14 14 TYR C C 14 173.192 173.192 173.964 -0.772 25443 2013 1 4 . 1 1 14 14 TYR CA C 14 56.202 56.202 56.972 -0.770 25443 2014 1 4 . 1 1 14 14 TYR CB C 14 40.163 40.163 40.559 -0.396 25443 2015 1 4 . 1 1 14 14 TYR H H 14 9.163 9.163 9.184 -0.021 25443 2016 1 4 . 1 1 15 15 ILE N N 15 127.801 127.801 126.794 1.007 25443 2017 1 4 . 1 1 15 15 ILE HA H 15 4.210 4.210 4.753 -0.543 25443 2018 1 4 . 1 1 15 15 ILE C C 15 173.823 173.823 176.088 -2.265 25443 2019 1 4 . 1 1 15 15 ILE CA C 15 59.616 59.616 59.173 0.443 25443 2020 1 4 . 1 1 15 15 ILE CB C 15 39.735 39.735 39.995 -0.260 25443 2021 1 4 . 1 1 15 15 ILE H H 15 8.569 8.569 8.376 0.193 25443 2022 1 4 . 1 1 16 16 GLY N N 16 112.441 112.441 112.467 -0.026 25443 2023 1 4 . 1 1 16 16 GLY C C 16 173.159 173.159 173.394 -0.235 25443 2024 1 4 . 1 1 16 16 GLY CA C 16 43.244 43.244 43.551 -0.307 25443 2025 1 4 . 1 1 16 16 GLY H H 16 9.354 9.354 8.018 1.336 25443 2026 1 4 . 1 1 17 17 ASN N N 17 114.797 114.797 119.012 -4.215 25443 2027 1 4 . 1 1 17 17 ASN HA H 17 4.347 4.347 4.603 -0.256 25443 2028 1 4 . 1 1 17 17 ASN C C 17 174.834 174.834 174.726 0.108 25443 2029 1 4 . 1 1 17 17 ASN CA C 17 53.214 53.214 53.518 -0.304 25443 2030 1 4 . 1 1 17 17 ASN CB C 17 37.826 37.826 36.859 0.967 25443 2031 1 4 . 1 1 17 17 ASN H H 17 8.552 8.552 8.541 0.011 25443 2032 1 4 . 1 1 18 18 LEU N N 18 114.526 114.526 125.533 -11.007 25443 2033 1 4 . 1 1 18 18 LEU HA H 18 3.994 3.994 4.511 -0.517 25443 2034 1 4 . 1 1 18 18 LEU C C 18 177.948 177.948 176.449 1.499 25443 2035 1 4 . 1 1 18 18 LEU CA C 18 53.772 53.772 53.777 -0.005 25443 2036 1 4 . 1 1 18 18 LEU CB C 18 42.385 42.385 43.574 -1.189 25443 2037 1 4 . 1 1 18 18 LEU H H 18 7.743 7.743 8.535 -0.792 25443 2038 1 4 . 1 1 19 19 ASN N N 19 122.718 122.718 117.666 5.052 25443 2039 1 4 . 1 1 19 19 ASN HA H 19 4.302 4.302 4.608 -0.306 25443 2040 1 4 . 1 1 19 19 ASN C C 19 178.040 178.040 177.253 0.787 25443 2041 1 4 . 1 1 19 19 ASN CA C 19 54.421 54.421 53.393 1.028 25443 2042 1 4 . 1 1 19 19 ASN CB C 19 38.580 38.580 39.273 -0.693 25443 2043 1 4 . 1 1 19 19 ASN H H 19 8.758 8.758 8.614 0.144 25443 2044 1 4 . 1 1 20 20 ARG N N 20 128.821 128.821 124.321 4.500 25443 2045 1 4 . 1 1 20 20 ARG HA H 20 3.790 3.790 4.058 -0.268 25443 2046 1 4 . 1 1 20 20 ARG C C 20 175.566 175.566 176.877 -1.311 25443 2047 1 4 . 1 1 20 20 ARG CA C 20 58.775 58.775 58.609 0.166 25443 2048 1 4 . 1 1 20 20 ARG CB C 20 29.642 29.642 30.206 -0.563 25443 2049 1 4 . 1 1 20 20 ARG H H 20 8.997 8.997 8.723 0.274 25443 2050 1 4 . 1 1 21 21 GLU N N 21 117.438 117.438 115.768 1.670 25443 2051 1 4 . 1 1 21 21 GLU HA H 21 4.214 4.214 4.344 -0.130 25443 2052 1 4 . 1 1 21 21 GLU C C 21 177.076 177.076 176.118 0.958 25443 2053 1 4 . 1 1 21 21 GLU CA C 21 56.677 56.677 55.360 1.317 25443 2054 1 4 . 1 1 21 21 GLU CB C 21 30.451 30.451 29.353 1.098 25443 2055 1 4 . 1 1 21 21 GLU H H 21 9.043 9.043 8.338 0.705 25443 2056 1 4 . 1 1 22 22 LEU N N 22 116.311 116.311 122.372 -6.061 25443 2057 1 4 . 1 1 22 22 LEU HA H 22 4.491 4.491 4.600 -0.109 25443 2058 1 4 . 1 1 22 22 LEU C C 22 178.389 178.389 175.662 2.727 25443 2059 1 4 . 1 1 22 22 LEU CA C 22 55.496 55.496 54.172 1.324 25443 2060 1 4 . 1 1 22 22 LEU CB C 22 42.148 42.148 43.048 -0.900 25443 2061 1 4 . 1 1 22 22 LEU H H 22 7.183 7.183 7.468 -0.285 25443 2062 1 4 . 1 1 23 23 THR N N 23 113.850 113.850 116.245 -2.395 25443 2063 1 4 . 1 1 23 23 THR HA H 23 4.289 4.289 4.738 -0.449 25443 2064 1 4 . 1 1 23 23 THR C C 23 175.229 175.229 175.334 -0.105 25443 2065 1 4 . 1 1 23 23 THR CA C 23 59.895 59.895 59.478 0.417 25443 2066 1 4 . 1 1 23 23 THR CB C 23 71.989 71.989 71.561 0.428 25443 2067 1 4 . 1 1 23 23 THR H H 23 8.743 8.743 8.378 0.365 25443 2068 1 4 . 1 1 24 24 GLU N N 24 119.724 119.724 121.250 -1.526 25443 2069 1 4 . 1 1 24 24 GLU HA H 24 3.591 3.591 4.169 -0.578 25443 2070 1 4 . 1 1 24 24 GLU C C 24 178.597 178.597 178.568 0.029 25443 2071 1 4 . 1 1 24 24 GLU CA C 24 63.490 63.490 58.996 4.494 25443 2072 1 4 . 1 1 24 24 GLU CB C 24 27.433 27.433 28.648 -1.215 25443 2073 1 4 . 1 1 24 24 GLU H H 24 9.641 9.641 9.056 0.585 25443 2074 1 4 . 1 1 25 25 GLY N N 25 104.430 104.430 109.231 -4.801 25443 2075 1 4 . 1 1 25 25 GLY C C 25 175.425 175.425 175.985 -0.560 25443 2076 1 4 . 1 1 25 25 GLY CA C 25 47.334 47.334 46.767 0.566 25443 2077 1 4 . 1 1 25 25 GLY H H 25 8.423 8.423 8.566 -0.143 25443 2078 1 4 . 1 1 26 26 ASP N N 26 123.128 123.128 123.077 0.051 25443 2079 1 4 . 1 1 26 26 ASP HA H 26 4.530 4.530 4.508 0.022 25443 2080 1 4 . 1 1 26 26 ASP C C 26 177.878 177.878 178.239 -0.361 25443 2081 1 4 . 1 1 26 26 ASP CA C 26 57.429 57.429 56.868 0.561 25443 2082 1 4 . 1 1 26 26 ASP CB C 26 41.612 41.612 41.040 0.572 25443 2083 1 4 . 1 1 26 26 ASP H H 26 7.859 7.859 7.501 0.358 25443 2084 1 4 . 1 1 27 27 ILE N N 27 118.864 118.864 120.713 -1.849 25443 2085 1 4 . 1 1 27 27 ILE HA H 27 3.534 3.534 3.746 -0.212 25443 2086 1 4 . 1 1 27 27 ILE C C 27 178.225 178.225 178.257 -0.032 25443 2087 1 4 . 1 1 27 27 ILE CA C 27 65.627 65.627 64.947 0.680 25443 2088 1 4 . 1 1 27 27 ILE CB C 27 37.614 37.614 38.100 -0.486 25443 2089 1 4 . 1 1 27 27 ILE H H 27 8.055 8.055 7.692 0.363 25443 2090 1 4 . 1 1 28 28 LEU N N 28 119.416 119.416 120.688 -1.272 25443 2091 1 4 . 1 1 28 28 LEU HA H 28 3.861 3.861 4.204 -0.343 25443 2092 1 4 . 1 1 28 28 LEU C C 28 179.884 179.884 178.946 0.938 25443 2093 1 4 . 1 1 28 28 LEU CA C 28 58.758 58.758 58.350 0.408 25443 2094 1 4 . 1 1 28 28 LEU CB C 28 41.137 41.137 41.532 -0.396 25443 2095 1 4 . 1 1 28 28 LEU H H 28 8.423 8.423 8.615 -0.192 25443 2096 1 4 . 1 1 29 29 THR N N 29 119.586 119.586 116.158 3.428 25443 2097 1 4 . 1 1 29 29 THR HA H 29 3.790 3.790 3.947 -0.157 25443 2098 1 4 . 1 1 29 29 THR C C 29 176.530 176.530 176.805 -0.275 25443 2099 1 4 . 1 1 29 29 THR CA C 29 67.322 67.322 67.070 0.252 25443 2100 1 4 . 1 1 29 29 THR CB C 29 68.372 68.372 68.402 -0.030 25443 2101 1 4 . 1 1 29 29 THR H H 29 8.552 8.552 7.682 0.870 25443 2102 1 4 . 1 1 30 30 VAL N N 30 119.948 119.948 120.679 -0.731 25443 2103 1 4 . 1 1 30 30 VAL HA H 30 3.601 3.601 3.541 0.060 25443 2104 1 4 . 1 1 30 30 VAL C C 30 178.670 178.670 178.474 0.196 25443 2105 1 4 . 1 1 30 30 VAL CA C 30 66.081 66.081 66.106 -0.025 25443 2106 1 4 . 1 1 30 30 VAL CB C 30 32.993 32.993 31.531 1.462 25443 2107 1 4 . 1 1 30 30 VAL H H 30 7.959 7.959 7.588 0.371 25443 2108 1 4 . 1 1 31 31 PHE N N 31 113.636 113.636 118.803 -5.167 25443 2109 1 4 . 1 1 31 31 PHE HA H 31 4.006 4.006 4.427 -0.421 25443 2110 1 4 . 1 1 31 31 PHE C C 31 180.133 180.133 177.760 2.373 25443 2111 1 4 . 1 1 31 31 PHE CA C 31 62.266 62.266 60.745 1.521 25443 2112 1 4 . 1 1 31 31 PHE CB C 31 37.711 37.711 38.125 -0.414 25443 2113 1 4 . 1 1 31 31 PHE H H 31 8.726 8.726 8.140 0.586 25443 2114 1 4 . 1 1 32 32 SER N N 32 119.746 119.746 115.970 3.776 25443 2115 1 4 . 1 1 32 32 SER HA H 32 5.107 5.107 4.270 0.837 25443 2116 1 4 . 1 1 32 32 SER C C 32 173.450 173.450 176.354 -2.904 25443 2117 1 4 . 1 1 32 32 SER CA C 32 61.440 61.440 61.694 -0.254 25443 2118 1 4 . 1 1 32 32 SER CB C 32 62.690 62.690 62.546 0.144 25443 2119 1 4 . 1 1 32 32 SER H H 32 8.564 8.564 8.454 0.110 25443 2120 1 4 . 1 1 33 33 GLU N N 33 118.689 118.689 120.990 -2.301 25443 2121 1 4 . 1 1 33 33 GLU HA H 33 3.854 3.854 3.985 -0.131 25443 2122 1 4 . 1 1 33 33 GLU C C 33 176.471 176.471 177.289 -0.818 25443 2123 1 4 . 1 1 33 33 GLU CA C 33 57.997 57.997 58.416 -0.419 25443 2124 1 4 . 1 1 33 33 GLU CB C 33 29.503 29.503 29.279 0.224 25443 2125 1 4 . 1 1 33 33 GLU H H 33 6.733 6.733 7.633 -0.900 25443 2126 1 4 . 1 1 34 34 TYR N N 34 111.313 111.313 116.904 -5.591 25443 2127 1 4 . 1 1 34 34 TYR HA H 34 4.469 4.469 4.563 -0.094 25443 2128 1 4 . 1 1 34 34 TYR C C 34 174.351 174.351 175.666 -1.315 25443 2129 1 4 . 1 1 34 34 TYR CA C 34 57.940 57.940 56.958 0.982 25443 2130 1 4 . 1 1 34 34 TYR CB C 34 39.557 39.557 38.451 1.106 25443 2131 1 4 . 1 1 34 34 TYR H H 34 6.662 6.662 7.394 -0.732 25443 2132 1 4 . 1 1 35 35 GLY N N 35 106.055 106.055 108.668 -2.613 25443 2133 1 4 . 1 1 35 35 GLY C C 35 170.709 170.709 174.455 -3.746 25443 2134 1 4 . 1 1 35 35 GLY CA C 35 45.230 45.230 45.533 -0.303 25443 2135 1 4 . 1 1 35 35 GLY H H 35 7.302 7.302 7.753 -0.451 25443 2136 1 4 . 1 1 36 36 VAL N N 36 121.596 121.596 120.418 1.178 25443 2137 1 4 . 1 1 36 36 VAL HA H 36 4.492 4.492 4.314 0.178 25443 2138 1 4 . 1 1 36 36 VAL CA C 36 59.912 59.912 59.094 0.818 25443 2139 1 4 . 1 1 36 36 VAL CB C 36 33.632 33.632 32.985 0.647 25443 2140 1 4 . 1 1 36 36 VAL H H 36 8.595 8.595 7.507 1.088 25443 2141 1 4 . 1 1 37 37 PRO HA H 37 4.499 4.499 4.674 -0.175 25443 2142 1 4 . 1 1 37 37 PRO C C 37 176.150 176.150 175.387 0.763 25443 2143 1 4 . 1 1 37 37 PRO CA C 37 62.320 62.320 62.068 0.252 25443 2144 1 4 . 1 1 37 37 PRO CB C 37 31.945 31.945 30.987 0.958 25443 2145 1 4 . 1 1 38 38 VAL N N 38 114.135 114.135 117.537 -3.402 25443 2146 1 4 . 1 1 38 38 VAL HA H 38 4.436 4.436 4.158 0.278 25443 2147 1 4 . 1 1 38 38 VAL C C 38 175.124 175.124 175.484 -0.360 25443 2148 1 4 . 1 1 38 38 VAL CA C 38 60.488 60.488 59.854 0.634 25443 2149 1 4 . 1 1 38 38 VAL CB C 38 32.560 32.560 32.938 -0.377 25443 2150 1 4 . 1 1 38 38 VAL H H 38 9.006 9.006 7.443 1.563 25443 2151 1 4 . 1 1 39 39 ASP N N 39 118.095 118.095 121.872 -3.777 25443 2152 1 4 . 1 1 39 39 ASP HA H 39 4.626 4.626 4.534 0.092 25443 2153 1 4 . 1 1 39 39 ASP C C 39 174.577 174.577 174.988 -0.411 25443 2154 1 4 . 1 1 39 39 ASP CA C 39 54.706 54.706 55.185 -0.479 25443 2155 1 4 . 1 1 39 39 ASP CB C 39 43.495 43.495 41.406 2.089 25443 2156 1 4 . 1 1 39 39 ASP H H 39 7.454 7.454 8.132 -0.678 25443 2157 1 4 . 1 1 40 40 VAL N N 40 121.566 121.566 123.440 -1.874 25443 2158 1 4 . 1 1 40 40 VAL HA H 40 4.897 4.897 4.380 0.517 25443 2159 1 4 . 1 1 40 40 VAL C C 40 170.928 170.928 174.357 -3.429 25443 2160 1 4 . 1 1 40 40 VAL CA C 40 60.729 60.729 60.573 0.156 25443 2161 1 4 . 1 1 40 40 VAL CB C 40 34.373 34.373 33.364 1.009 25443 2162 1 4 . 1 1 40 40 VAL H H 40 7.576 7.576 8.280 -0.704 25443 2163 1 4 . 1 1 41 41 ILE N N 41 125.247 125.247 130.125 -4.878 25443 2164 1 4 . 1 1 41 41 ILE HA H 41 4.752 4.752 4.417 0.335 25443 2165 1 4 . 1 1 41 41 ILE C C 41 175.440 175.440 173.923 1.517 25443 2166 1 4 . 1 1 41 41 ILE CA C 41 61.609 61.609 59.765 1.844 25443 2167 1 4 . 1 1 41 41 ILE H H 41 8.929 8.929 9.154 -0.225 25443 2168 1 4 . 1 1 42 42 LEU N N 42 128.791 128.791 129.381 -0.590 25443 2169 1 4 . 1 1 42 42 LEU HA H 42 4.387 4.387 4.474 -0.087 25443 2170 1 4 . 1 1 42 42 LEU C C 42 174.979 174.979 176.141 -1.162 25443 2171 1 4 . 1 1 42 42 LEU CA C 42 53.345 53.345 53.850 -0.505 25443 2172 1 4 . 1 1 42 42 LEU CB C 42 43.298 43.298 44.427 -1.129 25443 2173 1 4 . 1 1 42 42 LEU H H 42 8.309 8.309 8.746 -0.437 25443 2174 1 4 . 1 1 43 43 SER N N 43 122.753 122.753 121.245 1.508 25443 2175 1 4 . 1 1 43 43 SER HA H 43 3.821 3.821 4.215 -0.394 25443 2176 1 4 . 1 1 43 43 SER C C 43 173.870 173.870 173.722 0.148 25443 2177 1 4 . 1 1 43 43 SER CA C 43 59.707 59.707 58.036 1.671 25443 2178 1 4 . 1 1 43 43 SER CB C 43 62.714 62.714 61.769 0.945 25443 2179 1 4 . 1 1 43 43 SER H H 43 8.317 8.317 8.430 -0.113 25443 2180 1 4 . 1 1 44 44 ARG N N 44 128.068 128.068 125.900 2.168 25443 2181 1 4 . 1 1 44 44 ARG HA H 44 4.763 4.763 4.977 -0.214 25443 2182 1 4 . 1 1 44 44 ARG C C 44 175.094 175.094 176.151 -1.057 25443 2183 1 4 . 1 1 44 44 ARG CA C 44 54.100 54.100 54.731 -0.631 25443 2184 1 4 . 1 1 44 44 ARG CB C 44 34.218 34.218 33.102 1.116 25443 2185 1 4 . 1 1 44 44 ARG H H 44 8.152 8.152 7.645 0.507 25443 2186 1 4 . 1 1 45 45 ASP N N 45 123.595 123.595 122.658 0.937 25443 2187 1 4 . 1 1 45 45 ASP HA H 45 4.172 4.172 4.507 -0.335 25443 2188 1 4 . 1 1 45 45 ASP C C 45 177.467 177.467 177.254 0.213 25443 2189 1 4 . 1 1 45 45 ASP CA C 45 54.898 54.898 54.738 0.160 25443 2190 1 4 . 1 1 45 45 ASP CB C 45 43.568 43.568 42.527 1.041 25443 2191 1 4 . 1 1 45 45 ASP H H 45 8.628 8.628 8.719 -0.091 25443 2192 1 4 . 1 1 46 46 GLU N N 46 125.161 125.161 123.773 1.388 25443 2193 1 4 . 1 1 46 46 GLU HA H 46 3.843 3.843 4.193 -0.350 25443 2194 1 4 . 1 1 46 46 GLU C C 46 175.690 175.690 176.449 -0.759 25443 2195 1 4 . 1 1 46 46 GLU CA C 46 58.861 58.861 58.452 0.409 25443 2196 1 4 . 1 1 46 46 GLU CB C 46 29.636 29.636 29.836 -0.200 25443 2197 1 4 . 1 1 46 46 GLU H H 46 9.013 9.013 8.772 0.241 25443 2198 1 4 . 1 1 47 47 ASN N N 47 115.135 115.135 116.461 -1.326 25443 2199 1 4 . 1 1 47 47 ASN HA H 47 4.842 4.842 4.733 0.109 25443 2200 1 4 . 1 1 47 47 ASN C C 47 176.655 176.655 176.360 0.295 25443 2201 1 4 . 1 1 47 47 ASN CA C 47 54.897 54.897 54.349 0.548 25443 2202 1 4 . 1 1 47 47 ASN CB C 47 40.141 40.141 39.295 0.845 25443 2203 1 4 . 1 1 47 47 ASN H H 47 8.926 8.926 8.422 0.504 25443 2204 1 4 . 1 1 48 48 THR N N 48 107.544 107.544 112.769 -5.225 25443 2205 1 4 . 1 1 48 48 THR HA H 48 4.400 4.400 4.495 -0.095 25443 2206 1 4 . 1 1 48 48 THR C C 48 176.484 176.484 175.204 1.280 25443 2207 1 4 . 1 1 48 48 THR CA C 48 61.513 61.513 62.730 -1.217 25443 2208 1 4 . 1 1 48 48 THR CB C 48 71.189 71.189 69.772 1.417 25443 2209 1 4 . 1 1 48 48 THR H H 48 8.455 8.455 8.942 -0.487 25443 2210 1 4 . 1 1 49 49 GLY N N 49 111.753 111.753 109.928 1.825 25443 2211 1 4 . 1 1 49 49 GLY C C 49 173.167 173.167 173.073 0.094 25443 2212 1 4 . 1 1 49 49 GLY CA C 49 45.628 45.628 44.789 0.839 25443 2213 1 4 . 1 1 49 49 GLY H H 49 8.607 8.607 8.175 0.432 25443 2214 1 4 . 1 1 50 50 GLU N N 50 119.978 119.978 117.290 2.688 25443 2215 1 4 . 1 1 50 50 GLU HA H 50 4.071 4.071 4.402 -0.331 25443 2216 1 4 . 1 1 50 50 GLU C C 50 176.629 176.629 176.306 0.323 25443 2217 1 4 . 1 1 50 50 GLU CA C 50 56.500 56.500 54.834 1.666 25443 2218 1 4 . 1 1 50 50 GLU CB C 50 30.927 30.927 30.734 0.193 25443 2219 1 4 . 1 1 50 50 GLU H H 50 7.796 7.796 8.064 -0.268 25443 2220 1 4 . 1 1 51 51 SER N N 51 115.672 115.672 117.943 -2.271 25443 2221 1 4 . 1 1 51 51 SER HA H 51 4.205 4.205 4.439 -0.234 25443 2222 1 4 . 1 1 51 51 SER C C 51 176.532 176.532 175.110 1.422 25443 2223 1 4 . 1 1 51 51 SER CA C 51 58.320 58.320 59.241 -0.921 25443 2224 1 4 . 1 1 51 51 SER CB C 51 64.596 64.596 63.376 1.220 25443 2225 1 4 . 1 1 51 51 SER H H 51 8.889 8.889 8.651 0.238 25443 2226 1 4 . 1 1 52 52 GLN N N 52 123.139 123.139 123.902 -0.763 25443 2227 1 4 . 1 1 52 52 GLN HA H 52 4.421 4.421 4.332 0.089 25443 2228 1 4 . 1 1 52 52 GLN C C 52 177.396 177.396 176.612 0.784 25443 2229 1 4 . 1 1 52 52 GLN CA C 52 55.051 55.051 56.332 -1.281 25443 2230 1 4 . 1 1 52 52 GLN CB C 52 29.874 29.874 29.417 0.457 25443 2231 1 4 . 1 1 52 52 GLN H H 52 9.078 9.078 8.924 0.154 25443 2232 1 4 . 1 1 53 53 GLY N N 53 105.904 105.904 105.126 0.778 25443 2233 1 4 . 1 1 53 53 GLY C C 53 172.046 172.046 173.688 -1.642 25443 2234 1 4 . 1 1 53 53 GLY CA C 53 46.550 46.550 44.721 1.829 25443 2235 1 4 . 1 1 53 53 GLY H H 53 8.851 8.851 8.197 0.654 25443 2236 1 4 . 1 1 54 54 PHE N N 54 111.888 111.888 118.623 -6.735 25443 2237 1 4 . 1 1 54 54 PHE HA H 54 5.253 5.253 5.453 -0.200 25443 2238 1 4 . 1 1 54 54 PHE C C 54 171.570 171.570 173.440 -1.870 25443 2239 1 4 . 1 1 54 54 PHE CA C 54 55.592 55.592 53.830 1.762 25443 2240 1 4 . 1 1 54 54 PHE CB C 54 40.806 40.806 40.727 0.079 25443 2241 1 4 . 1 1 54 54 PHE H H 54 6.827 6.827 7.262 -0.435 25443 2242 1 4 . 1 1 55 55 ALA N N 55 121.888 121.888 119.386 2.502 25443 2243 1 4 . 1 1 55 55 ALA HA H 55 5.032 5.032 4.513 0.519 25443 2244 1 4 . 1 1 55 55 ALA C C 55 172.957 172.957 174.513 -1.556 25443 2245 1 4 . 1 1 55 55 ALA CA C 55 49.477 49.477 51.263 -1.786 25443 2246 1 4 . 1 1 55 55 ALA H H 55 8.927 8.927 7.871 1.056 25443 2247 1 4 . 1 1 56 56 TYR N N 56 115.049 115.049 117.258 -2.209 25443 2248 1 4 . 1 1 56 56 TYR HA H 56 5.602 5.602 5.568 0.034 25443 2249 1 4 . 1 1 56 56 TYR C C 56 175.162 175.162 174.198 0.964 25443 2250 1 4 . 1 1 56 56 TYR CA C 56 55.444 55.444 56.713 -1.269 25443 2251 1 4 . 1 1 56 56 TYR CB C 56 42.189 42.189 41.686 0.503 25443 2252 1 4 . 1 1 56 56 TYR H H 56 9.020 9.020 9.013 0.007 25443 2253 1 4 . 1 1 57 57 LEU N N 57 122.745 122.745 124.635 -1.890 25443 2254 1 4 . 1 1 57 57 LEU HA H 57 4.713 4.713 5.047 -0.334 25443 2255 1 4 . 1 1 57 57 LEU C C 57 172.371 172.371 174.509 -2.138 25443 2256 1 4 . 1 1 57 57 LEU CA C 57 54.712 54.712 53.449 1.263 25443 2257 1 4 . 1 1 57 57 LEU CB C 57 46.754 46.754 45.682 1.072 25443 2258 1 4 . 1 1 57 57 LEU H H 57 8.706 8.706 8.981 -0.275 25443 2259 1 4 . 1 1 58 58 LYS N N 58 125.469 125.469 126.629 -1.160 25443 2260 1 4 . 1 1 58 58 LYS HA H 58 4.467 4.467 4.601 -0.134 25443 2261 1 4 . 1 1 58 58 LYS C C 58 175.152 175.152 174.180 0.972 25443 2262 1 4 . 1 1 58 58 LYS CA C 58 54.494 54.494 53.870 0.624 25443 2263 1 4 . 1 1 58 58 LYS CB C 58 36.479 36.479 34.734 1.745 25443 2264 1 4 . 1 1 58 58 LYS H H 58 7.948 7.948 8.881 -0.933 25443 2265 1 4 . 1 1 59 59 TYR N N 59 126.261 126.261 122.902 3.359 25443 2266 1 4 . 1 1 59 59 TYR HA H 59 5.003 5.003 4.755 0.248 25443 2267 1 4 . 1 1 59 59 TYR C C 59 176.020 176.020 173.587 2.433 25443 2268 1 4 . 1 1 59 59 TYR CA C 59 57.992 57.992 55.749 2.243 25443 2269 1 4 . 1 1 59 59 TYR CB C 59 41.715 41.715 40.584 1.131 25443 2270 1 4 . 1 1 59 59 TYR H H 59 8.957 8.957 7.412 1.545 25443 2271 1 4 . 1 1 60 60 GLU N N 60 120.342 120.342 122.981 -2.639 25443 2272 1 4 . 1 1 60 60 GLU HA H 60 3.839 3.839 4.550 -0.711 25443 2273 1 4 . 1 1 60 60 GLU C C 60 175.346 175.346 175.539 -0.193 25443 2274 1 4 . 1 1 60 60 GLU CA C 60 59.057 59.057 56.205 2.853 25443 2275 1 4 . 1 1 60 60 GLU CB C 60 30.653 30.653 30.075 0.578 25443 2276 1 4 . 1 1 60 60 GLU H H 60 8.845 8.845 8.689 0.156 25443 2277 1 4 . 1 1 61 61 ASP N N 61 116.193 116.193 124.988 -8.795 25443 2278 1 4 . 1 1 61 61 ASP HA H 61 4.915 4.915 4.642 0.273 25443 2279 1 4 . 1 1 61 61 ASP C C 61 176.659 176.659 175.539 1.120 25443 2280 1 4 . 1 1 61 61 ASP CA C 61 51.856 51.856 54.592 -2.736 25443 2281 1 4 . 1 1 61 61 ASP CB C 61 43.726 43.726 42.572 1.154 25443 2282 1 4 . 1 1 61 61 ASP H H 61 7.922 7.922 8.395 -0.473 25443 2283 1 4 . 1 1 62 62 GLN N N 62 125.812 125.812 124.612 1.200 25443 2284 1 4 . 1 1 62 62 GLN HA H 62 4.221 4.221 4.203 0.018 25443 2285 1 4 . 1 1 62 62 GLN C C 62 178.430 178.430 177.692 0.738 25443 2286 1 4 . 1 1 62 62 GLN CA C 62 58.449 58.449 58.904 -0.455 25443 2287 1 4 . 1 1 62 62 GLN CB C 62 28.076 28.076 29.124 -1.048 25443 2288 1 4 . 1 1 62 62 GLN H H 62 8.964 8.964 8.810 0.154 25443 2289 1 4 . 1 1 63 63 ARG N N 63 120.943 120.943 119.957 0.986 25443 2290 1 4 . 1 1 63 63 ARG HA H 63 3.979 3.979 4.043 -0.064 25443 2291 1 4 . 1 1 63 63 ARG C C 63 179.350 179.350 178.879 0.471 25443 2292 1 4 . 1 1 63 63 ARG CA C 63 59.398 59.398 59.479 -0.081 25443 2293 1 4 . 1 1 63 63 ARG CB C 63 29.466 29.466 29.889 -0.423 25443 2294 1 4 . 1 1 63 63 ARG H H 63 8.965 8.965 8.122 0.843 25443 2295 1 4 . 1 1 64 64 SER N N 64 115.358 115.358 113.465 1.893 25443 2296 1 4 . 1 1 64 64 SER HA H 64 3.898 3.898 4.164 -0.266 25443 2297 1 4 . 1 1 64 64 SER C C 64 174.444 174.444 175.869 -1.425 25443 2298 1 4 . 1 1 64 64 SER CA C 64 62.459 62.459 61.978 0.481 25443 2299 1 4 . 1 1 64 64 SER CB C 64 62.040 62.040 62.634 -0.594 25443 2300 1 4 . 1 1 64 64 SER H H 64 8.065 8.065 9.277 -1.212 25443 2301 1 4 . 1 1 65 65 THR N N 65 113.614 113.614 115.756 -2.142 25443 2302 1 4 . 1 1 65 65 THR HA H 65 3.751 3.751 4.411 -0.660 25443 2303 1 4 . 1 1 65 65 THR C C 65 175.357 175.357 176.855 -1.498 25443 2304 1 4 . 1 1 65 65 THR CA C 65 66.292 66.292 65.526 0.766 25443 2305 1 4 . 1 1 65 65 THR CB C 65 68.457 68.457 68.552 -0.095 25443 2306 1 4 . 1 1 65 65 THR H H 65 7.484 7.484 7.645 -0.161 25443 2307 1 4 . 1 1 66 66 ILE N N 66 120.736 120.736 122.527 -1.791 25443 2308 1 4 . 1 1 66 66 ILE HA H 66 3.653 3.653 4.060 -0.407 25443 2309 1 4 . 1 1 66 66 ILE C C 66 177.518 177.518 177.947 -0.429 25443 2310 1 4 . 1 1 66 66 ILE CA C 66 64.014 64.014 64.725 -0.711 25443 2311 1 4 . 1 1 66 66 ILE CB C 66 42.194 42.194 37.776 4.418 25443 2312 1 4 . 1 1 66 66 ILE H H 66 6.976 6.976 7.400 -0.424 25443 2313 1 4 . 1 1 67 67 LEU N N 67 117.584 117.584 121.345 -3.761 25443 2314 1 4 . 1 1 67 67 LEU HA H 67 3.921 3.921 3.881 0.040 25443 2315 1 4 . 1 1 67 67 LEU C C 67 179.650 179.650 178.330 1.320 25443 2316 1 4 . 1 1 67 67 LEU CA C 67 57.452 57.452 58.184 -0.732 25443 2317 1 4 . 1 1 67 67 LEU CB C 67 42.172 42.172 41.844 0.328 25443 2318 1 4 . 1 1 67 67 LEU H H 67 7.006 7.006 8.027 -1.021 25443 2319 1 4 . 1 1 68 68 ALA N N 68 121.025 121.025 120.952 0.073 25443 2320 1 4 . 1 1 68 68 ALA HA H 68 3.285 3.285 3.552 -0.267 25443 2321 1 4 . 1 1 68 68 ALA C C 68 179.216 179.216 179.676 -0.460 25443 2322 1 4 . 1 1 68 68 ALA CA C 68 55.564 55.564 55.126 0.438 25443 2323 1 4 . 1 1 68 68 ALA CB C 68 18.852 18.852 17.955 0.897 25443 2324 1 4 . 1 1 68 68 ALA H H 68 8.121 8.121 8.297 -0.176 25443 2325 1 4 . 1 1 69 69 VAL N N 69 117.799 117.799 117.859 -0.060 25443 2326 1 4 . 1 1 69 69 VAL HA H 69 3.243 3.243 3.586 -0.343 25443 2327 1 4 . 1 1 69 69 VAL C C 69 178.541 178.541 177.674 0.867 25443 2328 1 4 . 1 1 69 69 VAL CA C 69 67.237 67.237 66.989 0.248 25443 2329 1 4 . 1 1 69 69 VAL CB C 69 31.679 31.679 31.827 -0.148 25443 2330 1 4 . 1 1 69 69 VAL H H 69 8.012 8.012 7.606 0.406 25443 2331 1 4 . 1 1 70 70 ASP N N 70 117.013 117.013 117.655 -0.642 25443 2332 1 4 . 1 1 70 70 ASP HA H 70 4.339 4.339 4.435 -0.096 25443 2333 1 4 . 1 1 70 70 ASP C C 70 178.330 178.330 177.105 1.225 25443 2334 1 4 . 1 1 70 70 ASP CA C 70 57.131 57.131 56.915 0.216 25443 2335 1 4 . 1 1 70 70 ASP CB C 70 40.465 40.465 41.237 -0.772 25443 2336 1 4 . 1 1 70 70 ASP H H 70 8.216 8.216 8.144 0.072 25443 2337 1 4 . 1 1 71 71 ASN N N 71 112.777 112.777 117.139 -4.362 25443 2338 1 4 . 1 1 71 71 ASN HA H 71 4.587 4.587 4.645 -0.058 25443 2339 1 4 . 1 1 71 71 ASN C C 71 176.314 176.314 177.122 -0.808 25443 2340 1 4 . 1 1 71 71 ASN CA C 71 55.474 55.474 55.063 0.410 25443 2341 1 4 . 1 1 71 71 ASN CB C 71 40.592 40.592 39.446 1.146 25443 2342 1 4 . 1 1 71 71 ASN H H 71 7.582 7.582 8.101 -0.519 25443 2343 1 4 . 1 1 72 72 LEU N N 72 116.551 116.551 118.505 -1.954 25443 2344 1 4 . 1 1 72 72 LEU HA H 72 4.494 4.494 4.198 0.296 25443 2345 1 4 . 1 1 72 72 LEU C C 72 177.500 177.500 176.648 0.852 25443 2346 1 4 . 1 1 72 72 LEU CA C 72 54.590 54.590 55.903 -1.313 25443 2347 1 4 . 1 1 72 72 LEU CB C 72 42.862 42.862 41.984 0.877 25443 2348 1 4 . 1 1 72 72 LEU H H 72 8.201 8.201 7.898 0.303 25443 2349 1 4 . 1 1 73 73 ASN N N 73 118.974 118.974 118.127 0.847 25443 2350 1 4 . 1 1 73 73 ASN HA H 73 4.392 4.392 4.843 -0.451 25443 2351 1 4 . 1 1 73 73 ASN C C 73 177.151 177.151 176.542 0.609 25443 2352 1 4 . 1 1 73 73 ASN CA C 73 56.276 56.276 55.004 1.272 25443 2353 1 4 . 1 1 73 73 ASN CB C 73 38.853 38.853 37.794 1.059 25443 2354 1 4 . 1 1 73 73 ASN H H 73 7.406 7.406 7.714 -0.308 25443 2355 1 4 . 1 1 74 74 GLY N N 74 116.478 116.478 113.961 2.517 25443 2356 1 4 . 1 1 74 74 GLY C C 74 172.756 172.756 174.528 -1.772 25443 2357 1 4 . 1 1 74 74 GLY CA C 74 45.662 45.662 44.877 0.785 25443 2358 1 4 . 1 1 74 74 GLY H H 74 9.106 9.106 8.481 0.625 25443 2359 1 4 . 1 1 75 75 PHE N N 75 123.853 123.853 123.423 0.430 25443 2360 1 4 . 1 1 75 75 PHE HA H 75 4.328 4.328 4.431 -0.103 25443 2361 1 4 . 1 1 75 75 PHE C C 75 175.065 175.065 174.749 0.316 25443 2362 1 4 . 1 1 75 75 PHE CA C 75 58.371 58.371 58.051 0.320 25443 2363 1 4 . 1 1 75 75 PHE CB C 75 40.947 40.947 40.517 0.430 25443 2364 1 4 . 1 1 75 75 PHE H H 75 8.074 8.074 8.000 0.074 25443 2365 1 4 . 1 1 76 76 LYS N N 76 126.700 126.700 128.776 -2.076 25443 2366 1 4 . 1 1 76 76 LYS HA H 76 4.536 4.536 4.747 -0.211 25443 2367 1 4 . 1 1 76 76 LYS C C 76 175.395 175.395 175.619 -0.224 25443 2368 1 4 . 1 1 76 76 LYS CA C 76 56.227 56.227 56.062 0.165 25443 2369 1 4 . 1 1 76 76 LYS CB C 76 32.969 32.969 32.205 0.764 25443 2370 1 4 . 1 1 76 76 LYS H H 76 7.766 7.766 7.888 -0.122 25443 2371 1 4 . 1 1 77 77 ILE N N 77 120.686 120.686 127.977 -7.291 25443 2372 1 4 . 1 1 77 77 ILE HA H 77 4.231 4.231 4.218 0.013 25443 2373 1 4 . 1 1 77 77 ILE C C 77 177.605 177.605 176.234 1.371 25443 2374 1 4 . 1 1 77 77 ILE CA C 77 59.981 59.981 60.066 -0.085 25443 2375 1 4 . 1 1 77 77 ILE CB C 77 40.409 40.409 38.723 1.686 25443 2376 1 4 . 1 1 77 77 ILE H H 77 8.005 8.005 9.051 -1.046 25443 2377 1 4 . 1 1 78 78 GLY N N 78 118.352 118.352 116.859 1.493 25443 2378 1 4 . 1 1 78 78 GLY C C 78 175.639 175.639 175.027 0.612 25443 2379 1 4 . 1 1 78 78 GLY CA C 78 47.227 47.227 45.113 2.114 25443 2380 1 4 . 1 1 78 78 GLY H H 78 9.800 9.800 8.930 0.870 25443 2381 1 4 . 1 1 79 79 GLY N N 79 104.167 104.167 105.203 -1.036 25443 2382 1 4 . 1 1 79 79 GLY C C 79 173.371 173.371 173.877 -0.506 25443 2383 1 4 . 1 1 79 79 GLY CA C 79 45.037 45.037 44.922 0.115 25443 2384 1 4 . 1 1 79 79 GLY H H 79 8.795 8.795 8.371 0.424 25443 2385 1 4 . 1 1 80 80 ARG N N 80 119.090 119.090 119.407 -0.317 25443 2386 1 4 . 1 1 80 80 ARG HA H 80 4.590 4.590 4.574 0.016 25443 2387 1 4 . 1 1 80 80 ARG C C 80 174.563 174.563 174.289 0.274 25443 2388 1 4 . 1 1 80 80 ARG CA C 80 54.615 54.615 54.399 0.216 25443 2389 1 4 . 1 1 80 80 ARG CB C 80 33.487 33.487 33.742 -0.255 25443 2390 1 4 . 1 1 80 80 ARG H H 80 7.281 7.281 7.201 0.080 25443 2391 1 4 . 1 1 81 81 ALA N N 81 126.039 126.039 125.938 0.101 25443 2392 1 4 . 1 1 81 81 ALA HA H 81 4.216 4.216 4.882 -0.666 25443 2393 1 4 . 1 1 81 81 ALA C C 81 177.149 177.149 177.330 -0.181 25443 2394 1 4 . 1 1 81 81 ALA CA C 81 51.081 51.081 50.978 0.103 25443 2395 1 4 . 1 1 81 81 ALA CB C 81 19.226 19.226 19.648 -0.422 25443 2396 1 4 . 1 1 81 81 ALA H H 81 8.651 8.651 8.544 0.107 25443 2397 1 4 . 1 1 82 82 LEU N N 82 125.451 125.451 125.107 0.344 25443 2398 1 4 . 1 1 82 82 LEU HA H 82 4.390 4.390 4.264 0.126 25443 2399 1 4 . 1 1 82 82 LEU C C 82 177.498 177.498 176.728 0.770 25443 2400 1 4 . 1 1 82 82 LEU CA C 82 56.065 56.065 55.023 1.042 25443 2401 1 4 . 1 1 82 82 LEU CB C 82 43.267 43.267 41.773 1.494 25443 2402 1 4 . 1 1 82 82 LEU H H 82 8.805 8.805 8.943 -0.138 25443 2403 1 4 . 1 1 83 83 LYS N N 83 123.253 123.253 126.673 -3.420 25443 2404 1 4 . 1 1 83 83 LYS C C 83 174.892 174.892 175.087 -0.195 25443 2405 1 4 . 1 1 83 83 LYS CA C 83 54.892 54.892 54.583 0.309 25443 2406 1 4 . 1 1 83 83 LYS H H 83 7.768 7.768 8.417 -0.649 25443 2407 1 4 . 1 1 84 84 ILE N N 84 125.577 125.577 124.346 1.231 25443 2408 1 4 . 1 1 84 84 ILE HA H 84 5.581 5.581 5.273 0.308 25443 2409 1 4 . 1 1 84 84 ILE C C 84 174.901 174.901 175.990 -1.089 25443 2410 1 4 . 1 1 84 84 ILE CA C 84 58.803 58.803 58.291 0.512 25443 2411 1 4 . 1 1 84 84 ILE CB C 84 40.306 40.306 38.911 1.395 25443 2412 1 4 . 1 1 84 84 ILE H H 84 8.616 8.616 7.918 0.698 25443 2413 1 4 . 1 1 85 85 ASP N N 85 125.373 125.373 125.593 -0.220 25443 2414 1 4 . 1 1 85 85 ASP HA H 85 4.909 4.909 5.000 -0.091 25443 2415 1 4 . 1 1 85 85 ASP C C 85 174.826 174.826 174.686 0.140 25443 2416 1 4 . 1 1 85 85 ASP CA C 85 52.372 52.372 52.493 -0.121 25443 2417 1 4 . 1 1 85 85 ASP CB C 85 45.290 45.290 44.531 0.759 25443 2418 1 4 . 1 1 85 85 ASP H H 85 8.907 8.907 8.568 0.339 25443 2419 1 4 . 1 1 86 86 HIS N N 86 121.396 121.396 123.907 -2.511 25443 2420 1 4 . 1 1 86 86 HIS CA C 86 57.540 57.540 57.533 0.007 25443 2421 1 4 . 1 1 86 86 HIS CB C 86 30.985 30.985 30.297 0.689 25443 2422 1 4 . 1 1 86 86 HIS H H 86 8.970 8.970 8.875 0.095 25443 2423 1 4 . 1 1 87 87 THR N N 87 116.761 116.761 120.050 -3.289 25443 2424 1 4 . 1 1 87 87 THR HA H 87 4.652 4.652 4.772 -0.120 25443 2425 1 4 . 1 1 87 87 THR C C 87 171.272 171.272 172.513 -1.241 25443 2426 1 4 . 1 1 87 87 THR CA C 87 60.710 60.710 60.275 0.435 25443 2427 1 4 . 1 1 87 87 THR CB C 87 69.764 69.764 70.762 -0.998 25443 2428 1 4 . 1 1 87 87 THR H H 87 8.557 8.557 8.840 -0.283 25443 2429 1 4 . 1 1 88 88 PHE N N 88 120.343 120.343 121.383 -1.040 25443 2430 1 4 . 1 1 88 88 PHE HA H 88 5.273 5.273 5.356 -0.083 25443 2431 1 4 . 1 1 88 88 PHE C C 88 174.288 174.288 173.890 0.398 25443 2432 1 4 . 1 1 88 88 PHE CA C 88 55.959 55.959 55.164 0.795 25443 2433 1 4 . 1 1 88 88 PHE CB C 88 41.079 41.079 40.491 0.588 25443 2434 1 4 . 1 1 88 88 PHE H H 88 8.114 8.114 8.383 -0.269 25443 2435 1 4 . 1 1 89 89 TYR N N 89 123.043 123.043 124.379 -1.336 25443 2436 1 4 . 1 1 89 89 TYR HA H 89 4.026 4.026 4.293 -0.267 25443 2437 1 4 . 1 1 89 89 TYR C C 89 173.155 173.155 173.155 0.000 25443 2438 1 4 . 1 1 89 89 TYR CA C 89 57.493 57.493 56.975 0.518 25443 2439 1 4 . 1 1 89 89 TYR CB C 89 39.829 39.829 41.818 -1.989 25443 2440 1 4 . 1 1 89 89 TYR H H 89 8.176 8.176 8.174 0.002 25443 2441 1 4 . 1 1 90 90 ARG N N 90 129.004 129.004 125.869 3.135 25443 2442 1 4 . 1 1 90 90 ARG HA H 90 4.398 4.398 4.836 -0.438 25443 2443 1 4 . 1 1 90 90 ARG CA C 90 51.548 51.548 52.183 -0.635 25443 2444 1 4 . 1 1 90 90 ARG CB C 90 30.882 30.882 30.615 0.267 25443 2445 1 4 . 1 1 90 90 ARG H H 90 7.078 7.078 7.872 -0.794 25443 2446 1 4 . 1 1 91 91 PRO HA H 91 4.155 4.155 4.338 -0.183 25443 2447 1 4 . 1 1 91 91 PRO C C 91 176.340 176.340 176.441 -0.101 25443 2448 1 4 . 1 1 91 91 PRO CA C 91 62.454 62.454 63.040 -0.586 25443 2449 1 4 . 1 1 91 91 PRO CB C 91 33.072 33.072 31.526 1.546 25443 2450 1 4 . 1 1 92 92 LYS N N 92 119.682 119.682 124.369 -4.687 25443 2451 1 4 . 1 1 92 92 LYS CA C 92 54.711 54.711 55.287 -0.576 25443 2452 1 4 . 1 1 92 92 LYS H H 92 8.644 8.644 8.183 0.461 25443 2453 1 4 . 1 1 93 93 ARG C C 93 178.899 178.899 177.827 1.072 25443 2454 1 4 . 1 1 93 93 ARG CA C 93 59.125 59.125 58.718 0.407 25443 2455 1 4 . 1 1 94 94 SER N N 94 112.166 112.166 115.089 -2.923 25443 2456 1 4 . 1 1 94 94 SER HA H 94 4.176 4.176 4.311 -0.135 25443 2457 1 4 . 1 1 94 94 SER C C 94 175.776 175.776 174.889 0.887 25443 2458 1 4 . 1 1 94 94 SER CA C 94 60.031 60.031 61.026 -0.995 25443 2459 1 4 . 1 1 94 94 SER CB C 94 62.152 62.152 63.125 -0.973 25443 2460 1 4 . 1 1 94 94 SER H H 94 8.299 8.299 8.228 0.071 25443 2461 1 4 . 1 1 95 95 LEU N N 95 122.179 122.179 117.711 4.468 25443 2462 1 4 . 1 1 95 95 LEU HA H 95 4.651 4.651 4.843 -0.192 25443 2463 1 4 . 1 1 95 95 LEU C C 95 175.381 175.381 177.424 -2.043 25443 2464 1 4 . 1 1 95 95 LEU CA C 95 53.934 53.934 53.782 0.152 25443 2465 1 4 . 1 1 95 95 LEU CB C 95 41.861 41.861 42.682 -0.821 25443 2466 1 4 . 1 1 95 95 LEU H H 95 7.159 7.159 7.944 -0.785 25443 2467 1 4 . 1 1 96 96 GLN N N 96 118.834 118.834 120.726 -1.892 25443 2468 1 4 . 1 1 96 96 GLN HA H 96 4.030 4.030 4.112 -0.081 25443 2469 1 4 . 1 1 96 96 GLN C C 96 177.751 177.751 177.462 0.289 25443 2470 1 4 . 1 1 96 96 GLN CA C 96 60.705 60.705 59.088 1.617 25443 2471 1 4 . 1 1 96 96 GLN CB C 96 28.822 28.822 28.437 0.385 25443 2472 1 4 . 1 1 96 96 GLN H H 96 7.329 7.329 7.879 -0.550 25443 2473 1 4 . 1 1 97 97 LYS N N 97 116.469 116.469 120.794 -4.325 25443 2474 1 4 . 1 1 97 97 LYS HA H 97 4.060 4.060 4.012 0.048 25443 2475 1 4 . 1 1 97 97 LYS C C 97 179.164 179.164 179.038 0.126 25443 2476 1 4 . 1 1 97 97 LYS CA C 97 59.430 59.430 59.533 -0.103 25443 2477 1 4 . 1 1 97 97 LYS CB C 97 31.511 31.511 31.950 -0.439 25443 2478 1 4 . 1 1 97 97 LYS H H 97 8.614 8.614 8.340 0.274 25443 2479 1 4 . 1 1 98 98 TYR N N 98 124.165 124.165 120.618 3.547 25443 2480 1 4 . 1 1 98 98 TYR HA H 98 4.079 4.079 4.110 -0.031 25443 2481 1 4 . 1 1 98 98 TYR C C 98 177.316 177.316 178.085 -0.769 25443 2482 1 4 . 1 1 98 98 TYR CA C 98 62.205 62.205 62.311 -0.106 25443 2483 1 4 . 1 1 98 98 TYR CB C 98 37.162 37.162 38.541 -1.379 25443 2484 1 4 . 1 1 98 98 TYR H H 98 7.585 7.585 7.871 -0.286 25443 2485 1 4 . 1 1 99 99 TYR N N 99 117.955 117.955 117.804 0.151 25443 2486 1 4 . 1 1 99 99 TYR HA H 99 5.078 5.078 4.211 0.867 25443 2487 1 4 . 1 1 99 99 TYR C C 99 180.957 180.957 178.503 2.454 25443 2488 1 4 . 1 1 99 99 TYR CA C 99 57.741 57.741 61.931 -4.190 25443 2489 1 4 . 1 1 99 99 TYR CB C 99 37.083 37.083 38.117 -1.034 25443 2490 1 4 . 1 1 99 99 TYR H H 99 8.660 8.660 8.057 0.603 25443 2491 1 4 . 1 1 100 100 GLU N N 100 118.796 118.796 119.606 -0.810 25443 2492 1 4 . 1 1 100 100 GLU HA H 100 4.024 4.024 4.005 0.019 25443 2493 1 4 . 1 1 100 100 GLU C C 100 178.571 178.571 178.239 0.332 25443 2494 1 4 . 1 1 100 100 GLU CA C 100 59.400 59.400 58.921 0.479 25443 2495 1 4 . 1 1 100 100 GLU CB C 100 29.660 29.660 29.872 -0.212 25443 2496 1 4 . 1 1 100 100 GLU H H 100 8.263 8.263 8.193 0.070 25443 2497 1 4 . 1 1 101 101 ALA N N 101 123.346 123.346 122.243 1.103 25443 2498 1 4 . 1 1 101 101 ALA HA H 101 4.244 4.244 4.047 0.197 25443 2499 1 4 . 1 1 101 101 ALA C C 101 181.331 181.331 179.855 1.476 25443 2500 1 4 . 1 1 101 101 ALA CA C 101 54.851 54.851 55.276 -0.425 25443 2501 1 4 . 1 1 101 101 ALA CB C 101 18.559 18.559 18.212 0.347 25443 2502 1 4 . 1 1 101 101 ALA H H 101 7.966 7.966 8.414 -0.448 25443 2503 1 4 . 1 1 102 102 VAL N N 102 120.241 120.241 115.233 5.008 25443 2504 1 4 . 1 1 102 102 VAL HA H 102 3.713 3.713 3.579 0.134 25443 2505 1 4 . 1 1 102 102 VAL C C 102 176.967 176.967 177.582 -0.615 25443 2506 1 4 . 1 1 102 102 VAL CA C 102 67.433 67.433 65.780 1.653 25443 2507 1 4 . 1 1 102 102 VAL CB C 102 31.721 31.721 31.332 0.389 25443 2508 1 4 . 1 1 102 102 VAL H H 102 8.331 8.331 8.338 -0.007 25443 2509 1 4 . 1 1 103 103 LYS N N 103 120.001 120.001 121.324 -1.323 25443 2510 1 4 . 1 1 103 103 LYS HA H 103 3.859 3.859 3.916 -0.057 25443 2511 1 4 . 1 1 103 103 LYS C C 103 178.500 178.500 178.645 -0.145 25443 2512 1 4 . 1 1 103 103 LYS CA C 103 59.652 59.652 60.184 -0.532 25443 2513 1 4 . 1 1 103 103 LYS CB C 103 32.040 32.040 32.313 -0.273 25443 2514 1 4 . 1 1 103 103 LYS H H 103 8.201 8.201 7.677 0.524 25443 2515 1 4 . 1 1 104 104 GLU N N 104 116.335 116.335 118.161 -1.826 25443 2516 1 4 . 1 1 104 104 GLU HA H 104 3.928 3.928 4.034 -0.106 25443 2517 1 4 . 1 1 104 104 GLU C C 104 178.645 178.645 179.396 -0.751 25443 2518 1 4 . 1 1 104 104 GLU CA C 104 59.110 59.110 59.285 -0.175 25443 2519 1 4 . 1 1 104 104 GLU CB C 104 29.607 29.607 29.036 0.571 25443 2520 1 4 . 1 1 104 104 GLU H H 104 7.909 7.909 8.489 -0.580 25443 2521 1 4 . 1 1 105 105 GLU N N 105 119.210 119.210 119.171 0.039 25443 2522 1 4 . 1 1 105 105 GLU HA H 105 3.844 3.844 4.147 -0.303 25443 2523 1 4 . 1 1 105 105 GLU C C 105 178.613 178.613 178.705 -0.092 25443 2524 1 4 . 1 1 105 105 GLU CA C 105 58.162 58.162 58.612 -0.450 25443 2525 1 4 . 1 1 105 105 GLU CB C 105 29.754 29.754 29.449 0.305 25443 2526 1 4 . 1 1 105 105 GLU H H 105 7.257 7.257 7.614 -0.357 25443 2527 1 4 . 1 1 106 106 LEU N N 106 117.408 117.408 118.514 -1.106 25443 2528 1 4 . 1 1 106 106 LEU HA H 106 3.976 3.976 4.254 -0.278 25443 2529 1 4 . 1 1 106 106 LEU C C 106 178.646 178.646 179.143 -0.497 25443 2530 1 4 . 1 1 106 106 LEU CA C 106 56.699 56.699 57.405 -0.706 25443 2531 1 4 . 1 1 106 106 LEU CB C 106 40.455 40.455 42.343 -1.888 25443 2532 1 4 . 1 1 106 106 LEU H H 106 8.169 8.169 8.025 0.144 25443 2533 1 4 . 1 1 107 107 ASP N N 107 119.073 119.073 119.625 -0.552 25443 2534 1 4 . 1 1 107 107 ASP HA H 107 4.521 4.521 4.380 0.141 25443 2535 1 4 . 1 1 107 107 ASP C C 107 177.069 177.069 177.442 -0.373 25443 2536 1 4 . 1 1 107 107 ASP CA C 107 55.099 55.099 57.109 -2.010 25443 2537 1 4 . 1 1 107 107 ASP CB C 107 40.670 40.670 41.040 -0.370 25443 2538 1 4 . 1 1 107 107 ASP H H 107 8.003 8.003 8.735 -0.732 25443 2539 1 4 . 1 1 108 108 ARG N N 108 120.705 120.705 117.657 3.048 25443 2540 1 4 . 1 1 108 108 ARG HA H 108 4.067 4.067 3.998 0.068 25443 2541 1 4 . 1 1 108 108 ARG C C 108 176.990 176.990 177.769 -0.779 25443 2542 1 4 . 1 1 108 108 ARG CA C 108 57.517 57.517 59.060 -1.543 25443 2543 1 4 . 1 1 108 108 ARG CB C 108 30.407 30.407 29.767 0.640 25443 2544 1 4 . 1 1 108 108 ARG H H 108 7.603 7.603 7.813 -0.210 25443 2545 1 4 . 1 1 109 109 ASP N N 109 120.246 120.246 119.717 0.529 25443 2546 1 4 . 1 1 109 109 ASP HA H 109 4.521 4.521 4.482 0.039 25443 2547 1 4 . 1 1 109 109 ASP C C 109 176.630 176.630 178.398 -1.768 25443 2548 1 4 . 1 1 109 109 ASP CA C 109 55.028 55.028 56.722 -1.694 25443 2549 1 4 . 1 1 109 109 ASP CB C 109 40.936 40.936 40.979 -0.043 25443 2550 1 4 . 1 1 109 109 ASP H H 109 8.226 8.226 7.601 0.625 25443 2551 1 4 . 1 1 110 110 ILE N N 110 120.386 120.386 120.167 0.219 25443 2552 1 4 . 1 1 110 110 ILE HA H 110 3.987 3.987 3.752 0.235 25443 2553 1 4 . 1 1 110 110 ILE C C 110 176.996 176.996 177.801 -0.805 25443 2554 1 4 . 1 1 110 110 ILE CA C 110 62.241 62.241 64.474 -2.232 25443 2555 1 4 . 1 1 110 110 ILE CB C 110 38.359 38.359 38.233 0.126 25443 2556 1 4 . 1 1 110 110 ILE H H 110 7.863 7.863 7.304 0.559 25443 2557 1 4 . 1 1 111 111 VAL N N 111 122.548 122.548 116.754 5.794 25443 2558 1 4 . 1 1 111 111 VAL HA H 111 3.946 3.946 3.926 0.020 25443 2559 1 4 . 1 1 111 111 VAL C C 111 176.938 176.938 175.584 1.354 25443 2560 1 4 . 1 1 111 111 VAL CA C 111 63.499 63.499 63.325 0.174 25443 2561 1 4 . 1 1 111 111 VAL CB C 111 32.223 32.223 32.111 0.112 25443 2562 1 4 . 1 1 111 111 VAL H H 111 8.016 8.016 7.966 0.050 25443 2563 1 4 . 1 1 112 112 SER N N 112 117.984 117.984 113.784 4.200 25443 2564 1 4 . 1 1 112 112 SER HA H 112 4.317 4.317 4.128 0.189 25443 2565 1 4 . 1 1 112 112 SER C C 112 175.154 175.154 173.808 1.346 25443 2566 1 4 . 1 1 112 112 SER CA C 112 59.025 59.025 59.258 -0.233 25443 2567 1 4 . 1 1 112 112 SER CB C 112 63.419 63.419 61.955 1.464 25443 2568 1 4 . 1 1 112 112 SER H H 112 8.187 8.187 7.446 0.741 25443 2569 1 4 . 1 1 113 113 LYS N N 113 122.727 122.727 127.070 -4.343 25443 2570 1 4 . 1 1 113 113 LYS HA H 113 4.209 4.209 4.749 -0.540 25443 2571 1 4 . 1 1 113 113 LYS C C 113 176.713 176.713 175.849 0.864 25443 2572 1 4 . 1 1 113 113 LYS CA C 113 56.844 56.844 55.227 1.617 25443 2573 1 4 . 1 1 113 113 LYS CB C 113 32.794 32.794 32.128 0.666 25443 2574 1 4 . 1 1 113 113 LYS H H 113 8.152 8.152 8.140 0.012 25443 2575 1 4 . 1 1 114 114 ASN N N 114 118.886 118.886 121.690 -2.804 25443 2576 1 4 . 1 1 114 114 ASN C C 114 175.227 175.227 175.268 -0.041 25443 2577 1 4 . 1 1 114 114 ASN CA C 114 53.549 53.549 53.935 -0.386 25443 2578 1 4 . 1 1 114 114 ASN H H 114 8.261 8.261 8.421 -0.160 25443 2579 1 4 . 1 1 115 115 ASN N N 115 119.345 119.345 115.259 4.086 25443 2580 1 4 . 1 1 115 115 ASN C C 115 174.896 174.896 174.565 0.331 25443 2581 1 4 . 1 1 115 115 ASN CA C 115 53.476 53.476 53.720 -0.244 25443 2582 1 4 . 1 1 115 115 ASN H H 115 8.257 8.257 8.431 -0.174 25443 2583 1 4 . 1 1 116 116 ALA N N 116 123.669 123.669 122.003 1.666 25443 2584 1 4 . 1 1 116 116 ALA HA H 116 4.254 4.254 4.436 -0.182 25443 2585 1 4 . 1 1 116 116 ALA C C 116 177.567 177.567 177.388 0.179 25443 2586 1 4 . 1 1 116 116 ALA CA C 116 52.678 52.678 53.398 -0.720 25443 2587 1 4 . 1 1 116 116 ALA CB C 116 19.243 19.243 19.377 -0.133 25443 2588 1 4 . 1 1 116 116 ALA H H 116 8.094 8.094 7.998 0.096 25443 2589 1 4 . 1 1 117 117 GLU N N 117 120.083 120.083 119.295 0.788 25443 2590 1 4 . 1 1 117 117 GLU C C 117 175.564 175.564 175.430 0.134 25443 2591 1 4 . 1 1 117 117 GLU CA C 117 56.602 56.602 57.148 -0.546 25443 2592 1 4 . 1 1 117 117 GLU H H 117 8.221 8.221 8.644 -0.423 25443 2593 1 5 . 1 1 2 2 ALA HA H 2 4.286 4.286 4.135 0.151 25443 2594 1 5 . 1 1 2 2 ALA C C 2 177.853 177.853 177.205 0.648 25443 2595 1 5 . 1 1 2 2 ALA CA C 2 52.661 52.661 52.329 0.332 25443 2596 1 5 . 1 1 2 2 ALA CB C 2 19.308 19.308 18.555 0.753 25443 2597 1 5 . 1 1 3 3 MET N N 3 119.404 119.404 120.278 -0.874 25443 2598 1 5 . 1 1 3 3 MET HA H 3 4.435 4.435 4.426 0.009 25443 2599 1 5 . 1 1 3 3 MET C C 3 176.731 176.731 177.209 -0.478 25443 2600 1 5 . 1 1 3 3 MET CA C 3 55.503 55.503 56.275 -0.772 25443 2601 1 5 . 1 1 3 3 MET CB C 3 32.795 32.795 33.607 -0.812 25443 2602 1 5 . 1 1 3 3 MET H H 3 8.530 8.530 8.386 0.144 25443 2603 1 5 . 1 1 4 4 GLY N N 4 109.968 109.968 105.789 4.179 25443 2604 1 5 . 1 1 4 4 GLY C C 4 174.057 174.057 172.768 1.289 25443 2605 1 5 . 1 1 4 4 GLY CA C 4 45.363 45.363 44.211 1.152 25443 2606 1 5 . 1 1 4 4 GLY H H 4 8.414 8.414 7.363 1.051 25443 2607 1 5 . 1 1 5 5 ASN N N 5 118.659 118.659 117.274 1.385 25443 2608 1 5 . 1 1 5 5 ASN HA H 5 4.606 4.606 4.404 0.202 25443 2609 1 5 . 1 1 5 5 ASN C C 5 175.443 175.443 175.205 0.238 25443 2610 1 5 . 1 1 5 5 ASN CA C 5 53.530 53.530 54.175 -0.645 25443 2611 1 5 . 1 1 5 5 ASN CB C 5 38.876 38.876 38.948 -0.072 25443 2612 1 5 . 1 1 5 5 ASN H H 5 8.326 8.326 8.388 -0.062 25443 2613 1 5 . 1 1 6 6 GLU N N 6 120.909 120.909 116.531 4.378 25443 2614 1 5 . 1 1 6 6 GLU HA H 6 4.097 4.097 4.495 -0.398 25443 2615 1 5 . 1 1 6 6 GLU C C 6 176.261 176.261 177.062 -0.801 25443 2616 1 5 . 1 1 6 6 GLU CA C 6 57.171 57.171 55.943 1.228 25443 2617 1 5 . 1 1 6 6 GLU CB C 6 29.715 29.715 30.596 -0.881 25443 2618 1 5 . 1 1 6 6 GLU H H 6 8.633 8.633 8.206 0.427 25443 2619 1 5 . 1 1 7 7 TYR N N 7 120.283 120.283 117.409 2.874 25443 2620 1 5 . 1 1 7 7 TYR HA H 7 4.440 4.440 4.002 0.438 25443 2621 1 5 . 1 1 7 7 TYR C C 7 175.789 175.789 176.010 -0.221 25443 2622 1 5 . 1 1 7 7 TYR CA C 7 58.061 58.061 59.736 -1.675 25443 2623 1 5 . 1 1 7 7 TYR CB C 7 38.193 38.193 36.632 1.561 25443 2624 1 5 . 1 1 7 7 TYR H H 7 8.069 8.069 7.744 0.325 25443 2625 1 5 . 1 1 8 8 LYS N N 8 121.780 121.780 119.006 2.774 25443 2626 1 5 . 1 1 8 8 LYS HA H 8 4.107 4.107 3.919 0.188 25443 2627 1 5 . 1 1 8 8 LYS C C 8 175.970 175.970 175.316 0.654 25443 2628 1 5 . 1 1 8 8 LYS CA C 8 56.550 56.550 57.532 -0.982 25443 2629 1 5 . 1 1 8 8 LYS CB C 8 33.141 33.141 31.432 1.709 25443 2630 1 5 . 1 1 8 8 LYS H H 8 7.868 7.868 8.618 -0.750 25443 2631 1 5 . 1 1 9 9 ASP N N 9 119.825 119.825 114.273 5.552 25443 2632 1 5 . 1 1 9 9 ASP HA H 9 4.577 4.577 4.607 -0.030 25443 2633 1 5 . 1 1 9 9 ASP C C 9 175.979 175.979 176.145 -0.166 25443 2634 1 5 . 1 1 9 9 ASP CA C 9 54.608 54.608 54.513 0.095 25443 2635 1 5 . 1 1 9 9 ASP CB C 9 41.455 41.455 41.107 0.348 25443 2636 1 5 . 1 1 9 9 ASP H H 9 8.164 8.164 8.589 -0.425 25443 2637 1 5 . 1 1 10 10 ASN N N 10 119.410 119.410 115.132 4.278 25443 2638 1 5 . 1 1 10 10 ASN HA H 10 4.935 4.935 4.809 0.126 25443 2639 1 5 . 1 1 10 10 ASN C C 10 174.654 174.654 174.124 0.530 25443 2640 1 5 . 1 1 10 10 ASN CA C 10 52.792 52.792 52.549 0.243 25443 2641 1 5 . 1 1 10 10 ASN CB C 10 38.554 38.554 39.221 -0.667 25443 2642 1 5 . 1 1 10 10 ASN H H 10 8.284 8.284 8.162 0.122 25443 2643 1 5 . 1 1 11 11 ALA N N 11 122.716 122.716 122.516 0.200 25443 2644 1 5 . 1 1 11 11 ALA HA H 11 4.521 4.521 4.724 -0.203 25443 2645 1 5 . 1 1 11 11 ALA CA C 11 53.148 53.148 52.285 0.863 25443 2646 1 5 . 1 1 11 11 ALA CB C 11 19.223 19.223 19.578 -0.354 25443 2647 1 5 . 1 1 11 11 ALA H H 11 8.260 8.260 7.636 0.624 25443 2648 1 5 . 1 1 12 12 TYR HA H 12 4.943 4.943 4.652 0.291 25443 2649 1 5 . 1 1 12 12 TYR C C 12 177.075 177.075 172.586 4.489 25443 2650 1 5 . 1 1 12 12 TYR CA C 12 57.314 57.314 55.695 1.619 25443 2651 1 5 . 1 1 12 12 TYR CB C 12 42.614 42.614 39.936 2.678 25443 2652 1 5 . 1 1 13 13 ILE N N 13 114.211 114.211 114.815 -0.604 25443 2653 1 5 . 1 1 13 13 ILE HA H 13 4.981 4.981 4.765 0.216 25443 2654 1 5 . 1 1 13 13 ILE C C 13 174.500 174.500 173.963 0.537 25443 2655 1 5 . 1 1 13 13 ILE CA C 13 60.380 60.380 58.719 1.661 25443 2656 1 5 . 1 1 13 13 ILE CB C 13 39.792 39.792 41.144 -1.352 25443 2657 1 5 . 1 1 13 13 ILE H H 13 9.358 9.358 8.496 0.862 25443 2658 1 5 . 1 1 14 14 TYR N N 14 124.891 124.891 126.221 -1.330 25443 2659 1 5 . 1 1 14 14 TYR HA H 14 4.579 4.579 4.999 -0.420 25443 2660 1 5 . 1 1 14 14 TYR C C 14 173.192 173.192 174.057 -0.865 25443 2661 1 5 . 1 1 14 14 TYR CA C 14 56.202 56.202 56.955 -0.753 25443 2662 1 5 . 1 1 14 14 TYR CB C 14 40.163 40.163 40.688 -0.525 25443 2663 1 5 . 1 1 14 14 TYR H H 14 9.163 9.163 8.897 0.266 25443 2664 1 5 . 1 1 15 15 ILE N N 15 127.801 127.801 127.427 0.374 25443 2665 1 5 . 1 1 15 15 ILE HA H 15 4.210 4.210 4.895 -0.685 25443 2666 1 5 . 1 1 15 15 ILE C C 15 173.823 173.823 175.783 -1.960 25443 2667 1 5 . 1 1 15 15 ILE CA C 15 59.616 59.616 58.964 0.652 25443 2668 1 5 . 1 1 15 15 ILE CB C 15 39.735 39.735 40.313 -0.578 25443 2669 1 5 . 1 1 15 15 ILE H H 15 8.569 8.569 8.521 0.048 25443 2670 1 5 . 1 1 16 16 GLY N N 16 112.441 112.441 113.581 -1.140 25443 2671 1 5 . 1 1 16 16 GLY C C 16 173.159 173.159 173.889 -0.730 25443 2672 1 5 . 1 1 16 16 GLY CA C 16 43.244 43.244 42.963 0.281 25443 2673 1 5 . 1 1 16 16 GLY H H 16 9.354 9.354 7.996 1.358 25443 2674 1 5 . 1 1 17 17 ASN N N 17 114.797 114.797 119.600 -4.803 25443 2675 1 5 . 1 1 17 17 ASN HA H 17 4.347 4.347 4.607 -0.260 25443 2676 1 5 . 1 1 17 17 ASN C C 17 174.834 174.834 175.340 -0.506 25443 2677 1 5 . 1 1 17 17 ASN CA C 17 53.214 53.214 54.212 -0.998 25443 2678 1 5 . 1 1 17 17 ASN CB C 17 37.826 37.826 38.091 -0.265 25443 2679 1 5 . 1 1 17 17 ASN H H 17 8.552 8.552 8.617 -0.065 25443 2680 1 5 . 1 1 18 18 LEU N N 18 114.526 114.526 125.930 -11.404 25443 2681 1 5 . 1 1 18 18 LEU HA H 18 3.994 3.994 4.525 -0.531 25443 2682 1 5 . 1 1 18 18 LEU C C 18 177.948 177.948 176.300 1.648 25443 2683 1 5 . 1 1 18 18 LEU CA C 18 53.772 53.772 53.691 0.081 25443 2684 1 5 . 1 1 18 18 LEU CB C 18 42.385 42.385 44.012 -1.627 25443 2685 1 5 . 1 1 18 18 LEU H H 18 7.743 7.743 8.344 -0.601 25443 2686 1 5 . 1 1 19 19 ASN N N 19 122.718 122.718 117.658 5.060 25443 2687 1 5 . 1 1 19 19 ASN HA H 19 4.302 4.302 4.717 -0.415 25443 2688 1 5 . 1 1 19 19 ASN C C 19 178.040 178.040 177.329 0.711 25443 2689 1 5 . 1 1 19 19 ASN CA C 19 54.421 54.421 53.093 1.328 25443 2690 1 5 . 1 1 19 19 ASN CB C 19 38.580 38.580 39.064 -0.484 25443 2691 1 5 . 1 1 19 19 ASN H H 19 8.758 8.758 8.646 0.112 25443 2692 1 5 . 1 1 20 20 ARG N N 20 128.821 128.821 122.120 6.701 25443 2693 1 5 . 1 1 20 20 ARG HA H 20 3.790 3.790 4.056 -0.266 25443 2694 1 5 . 1 1 20 20 ARG C C 20 175.566 175.566 176.370 -0.804 25443 2695 1 5 . 1 1 20 20 ARG CA C 20 58.775 58.775 58.294 0.481 25443 2696 1 5 . 1 1 20 20 ARG CB C 20 29.642 29.642 29.999 -0.357 25443 2697 1 5 . 1 1 20 20 ARG H H 20 8.997 8.997 8.663 0.334 25443 2698 1 5 . 1 1 21 21 GLU N N 21 117.438 117.438 116.751 0.687 25443 2699 1 5 . 1 1 21 21 GLU HA H 21 4.214 4.214 4.380 -0.166 25443 2700 1 5 . 1 1 21 21 GLU C C 21 177.076 177.076 176.079 0.997 25443 2701 1 5 . 1 1 21 21 GLU CA C 21 56.677 56.677 55.588 1.089 25443 2702 1 5 . 1 1 21 21 GLU CB C 21 30.451 30.451 29.539 0.912 25443 2703 1 5 . 1 1 21 21 GLU H H 21 9.043 9.043 8.071 0.972 25443 2704 1 5 . 1 1 22 22 LEU N N 22 116.311 116.311 121.456 -5.145 25443 2705 1 5 . 1 1 22 22 LEU HA H 22 4.491 4.491 4.465 0.026 25443 2706 1 5 . 1 1 22 22 LEU C C 22 178.389 178.389 176.163 2.226 25443 2707 1 5 . 1 1 22 22 LEU CA C 22 55.496 55.496 54.078 1.418 25443 2708 1 5 . 1 1 22 22 LEU CB C 22 42.148 42.148 42.657 -0.509 25443 2709 1 5 . 1 1 22 22 LEU H H 22 7.183 7.183 7.421 -0.238 25443 2710 1 5 . 1 1 23 23 THR N N 23 113.850 113.850 114.056 -0.206 25443 2711 1 5 . 1 1 23 23 THR HA H 23 4.289 4.289 4.844 -0.555 25443 2712 1 5 . 1 1 23 23 THR C C 23 175.229 175.229 175.826 -0.597 25443 2713 1 5 . 1 1 23 23 THR CA C 23 59.895 59.895 59.094 0.801 25443 2714 1 5 . 1 1 23 23 THR CB C 23 71.989 71.989 71.810 0.179 25443 2715 1 5 . 1 1 23 23 THR H H 23 8.743 8.743 9.038 -0.295 25443 2716 1 5 . 1 1 24 24 GLU N N 24 119.724 119.724 121.168 -1.444 25443 2717 1 5 . 1 1 24 24 GLU HA H 24 3.591 3.591 4.064 -0.472 25443 2718 1 5 . 1 1 24 24 GLU C C 24 178.597 178.597 178.788 -0.191 25443 2719 1 5 . 1 1 24 24 GLU CA C 24 63.490 63.490 59.445 4.045 25443 2720 1 5 . 1 1 24 24 GLU CB C 24 27.433 27.433 29.306 -1.873 25443 2721 1 5 . 1 1 24 24 GLU H H 24 9.641 9.641 9.015 0.626 25443 2722 1 5 . 1 1 25 25 GLY N N 25 104.430 104.430 107.811 -3.381 25443 2723 1 5 . 1 1 25 25 GLY C C 25 175.425 175.425 175.662 -0.237 25443 2724 1 5 . 1 1 25 25 GLY CA C 25 47.334 47.334 46.812 0.522 25443 2725 1 5 . 1 1 25 25 GLY H H 25 8.423 8.423 7.770 0.653 25443 2726 1 5 . 1 1 26 26 ASP N N 26 123.128 123.128 123.887 -0.759 25443 2727 1 5 . 1 1 26 26 ASP HA H 26 4.530 4.530 4.400 0.130 25443 2728 1 5 . 1 1 26 26 ASP C C 26 177.878 177.878 178.531 -0.653 25443 2729 1 5 . 1 1 26 26 ASP CA C 26 57.429 57.429 57.619 -0.190 25443 2730 1 5 . 1 1 26 26 ASP CB C 26 41.612 41.612 40.782 0.830 25443 2731 1 5 . 1 1 26 26 ASP H H 26 7.859 7.859 7.579 0.280 25443 2732 1 5 . 1 1 27 27 ILE N N 27 118.864 118.864 120.258 -1.394 25443 2733 1 5 . 1 1 27 27 ILE HA H 27 3.534 3.534 3.658 -0.124 25443 2734 1 5 . 1 1 27 27 ILE C C 27 178.225 178.225 178.203 0.022 25443 2735 1 5 . 1 1 27 27 ILE CA C 27 65.627 65.627 64.946 0.681 25443 2736 1 5 . 1 1 27 27 ILE CB C 27 37.614 37.614 38.020 -0.406 25443 2737 1 5 . 1 1 27 27 ILE H H 27 8.055 8.055 7.930 0.125 25443 2738 1 5 . 1 1 28 28 LEU N N 28 119.416 119.416 120.898 -1.482 25443 2739 1 5 . 1 1 28 28 LEU HA H 28 3.861 3.861 4.202 -0.341 25443 2740 1 5 . 1 1 28 28 LEU C C 28 179.884 179.884 178.462 1.422 25443 2741 1 5 . 1 1 28 28 LEU CA C 28 58.758 58.758 58.182 0.576 25443 2742 1 5 . 1 1 28 28 LEU CB C 28 41.137 41.137 41.673 -0.536 25443 2743 1 5 . 1 1 28 28 LEU H H 28 8.423 8.423 8.335 0.088 25443 2744 1 5 . 1 1 29 29 THR N N 29 119.586 119.586 116.308 3.278 25443 2745 1 5 . 1 1 29 29 THR HA H 29 3.790 3.790 3.824 -0.034 25443 2746 1 5 . 1 1 29 29 THR C C 29 176.530 176.530 176.480 0.050 25443 2747 1 5 . 1 1 29 29 THR CA C 29 67.322 67.322 67.300 0.022 25443 2748 1 5 . 1 1 29 29 THR CB C 29 68.372 68.372 68.726 -0.354 25443 2749 1 5 . 1 1 29 29 THR H H 29 8.552 8.552 7.825 0.727 25443 2750 1 5 . 1 1 30 30 VAL N N 30 119.948 119.948 120.636 -0.688 25443 2751 1 5 . 1 1 30 30 VAL HA H 30 3.601 3.601 3.651 -0.050 25443 2752 1 5 . 1 1 30 30 VAL C C 30 178.670 178.670 178.363 0.307 25443 2753 1 5 . 1 1 30 30 VAL CA C 30 66.081 66.081 66.070 0.011 25443 2754 1 5 . 1 1 30 30 VAL CB C 30 32.993 32.993 31.113 1.880 25443 2755 1 5 . 1 1 30 30 VAL H H 30 7.959 7.959 7.701 0.258 25443 2756 1 5 . 1 1 31 31 PHE N N 31 113.636 113.636 118.208 -4.572 25443 2757 1 5 . 1 1 31 31 PHE HA H 31 4.006 4.006 4.451 -0.445 25443 2758 1 5 . 1 1 31 31 PHE C C 31 180.133 180.133 177.747 2.386 25443 2759 1 5 . 1 1 31 31 PHE CA C 31 62.266 62.266 60.100 2.166 25443 2760 1 5 . 1 1 31 31 PHE CB C 31 37.711 37.711 37.808 -0.097 25443 2761 1 5 . 1 1 31 31 PHE H H 31 8.726 8.726 7.848 0.878 25443 2762 1 5 . 1 1 32 32 SER N N 32 119.746 119.746 115.522 4.224 25443 2763 1 5 . 1 1 32 32 SER HA H 32 5.107 5.107 4.223 0.884 25443 2764 1 5 . 1 1 32 32 SER C C 32 173.450 173.450 177.107 -3.657 25443 2765 1 5 . 1 1 32 32 SER CA C 32 61.440 61.440 61.471 -0.031 25443 2766 1 5 . 1 1 32 32 SER CB C 32 62.690 62.690 62.671 0.019 25443 2767 1 5 . 1 1 32 32 SER H H 32 8.564 8.564 8.533 0.031 25443 2768 1 5 . 1 1 33 33 GLU N N 33 118.689 118.689 121.662 -2.973 25443 2769 1 5 . 1 1 33 33 GLU HA H 33 3.854 3.854 4.109 -0.255 25443 2770 1 5 . 1 1 33 33 GLU C C 33 176.471 176.471 177.410 -0.939 25443 2771 1 5 . 1 1 33 33 GLU CA C 33 57.997 57.997 58.343 -0.345 25443 2772 1 5 . 1 1 33 33 GLU CB C 33 29.503 29.503 29.564 -0.061 25443 2773 1 5 . 1 1 33 33 GLU H H 33 6.733 6.733 7.914 -1.181 25443 2774 1 5 . 1 1 34 34 TYR N N 34 111.313 111.313 117.917 -6.604 25443 2775 1 5 . 1 1 34 34 TYR HA H 34 4.469 4.469 4.541 -0.072 25443 2776 1 5 . 1 1 34 34 TYR C C 34 174.351 174.351 175.626 -1.275 25443 2777 1 5 . 1 1 34 34 TYR CA C 34 57.940 57.940 57.923 0.017 25443 2778 1 5 . 1 1 34 34 TYR CB C 34 39.557 39.557 38.538 1.019 25443 2779 1 5 . 1 1 34 34 TYR H H 34 6.662 6.662 7.641 -0.979 25443 2780 1 5 . 1 1 35 35 GLY N N 35 106.055 106.055 108.838 -2.783 25443 2781 1 5 . 1 1 35 35 GLY C C 35 170.709 170.709 174.279 -3.570 25443 2782 1 5 . 1 1 35 35 GLY CA C 35 45.230 45.230 45.705 -0.475 25443 2783 1 5 . 1 1 35 35 GLY H H 35 7.302 7.302 7.754 -0.452 25443 2784 1 5 . 1 1 36 36 VAL N N 36 121.596 121.596 116.667 4.929 25443 2785 1 5 . 1 1 36 36 VAL HA H 36 4.492 4.492 4.524 -0.032 25443 2786 1 5 . 1 1 36 36 VAL CA C 36 59.912 59.912 58.456 1.456 25443 2787 1 5 . 1 1 36 36 VAL CB C 36 33.632 33.632 32.603 1.029 25443 2788 1 5 . 1 1 36 36 VAL H H 36 8.595 8.595 7.713 0.882 25443 2789 1 5 . 1 1 37 37 PRO HA H 37 4.499 4.499 4.735 -0.236 25443 2790 1 5 . 1 1 37 37 PRO C C 37 176.150 176.150 176.148 0.002 25443 2791 1 5 . 1 1 37 37 PRO CA C 37 62.320 62.320 61.828 0.492 25443 2792 1 5 . 1 1 37 37 PRO CB C 37 31.945 31.945 30.500 1.445 25443 2793 1 5 . 1 1 38 38 VAL N N 38 114.135 114.135 119.963 -5.828 25443 2794 1 5 . 1 1 38 38 VAL HA H 38 4.436 4.436 4.520 -0.084 25443 2795 1 5 . 1 1 38 38 VAL C C 38 175.124 175.124 175.470 -0.346 25443 2796 1 5 . 1 1 38 38 VAL CA C 38 60.488 60.488 59.299 1.189 25443 2797 1 5 . 1 1 38 38 VAL CB C 38 32.560 32.560 33.335 -0.775 25443 2798 1 5 . 1 1 38 38 VAL H H 38 9.006 9.006 7.562 1.444 25443 2799 1 5 . 1 1 39 39 ASP N N 39 118.095 118.095 121.804 -3.709 25443 2800 1 5 . 1 1 39 39 ASP HA H 39 4.626 4.626 4.674 -0.048 25443 2801 1 5 . 1 1 39 39 ASP C C 39 174.577 174.577 175.259 -0.682 25443 2802 1 5 . 1 1 39 39 ASP CA C 39 54.706 54.706 55.788 -1.081 25443 2803 1 5 . 1 1 39 39 ASP CB C 39 43.495 43.495 41.198 2.297 25443 2804 1 5 . 1 1 39 39 ASP H H 39 7.454 7.454 8.205 -0.751 25443 2805 1 5 . 1 1 40 40 VAL N N 40 121.566 121.566 122.138 -0.572 25443 2806 1 5 . 1 1 40 40 VAL HA H 40 4.897 4.897 4.759 0.138 25443 2807 1 5 . 1 1 40 40 VAL C C 40 170.928 170.928 174.572 -3.644 25443 2808 1 5 . 1 1 40 40 VAL CA C 40 60.729 60.729 60.473 0.256 25443 2809 1 5 . 1 1 40 40 VAL CB C 40 34.373 34.373 34.431 -0.058 25443 2810 1 5 . 1 1 40 40 VAL H H 40 7.576 7.576 8.236 -0.660 25443 2811 1 5 . 1 1 41 41 ILE N N 41 125.247 125.247 127.776 -2.529 25443 2812 1 5 . 1 1 41 41 ILE HA H 41 4.752 4.752 4.545 0.207 25443 2813 1 5 . 1 1 41 41 ILE C C 41 175.440 175.440 173.728 1.712 25443 2814 1 5 . 1 1 41 41 ILE CA C 41 61.609 61.609 60.258 1.351 25443 2815 1 5 . 1 1 41 41 ILE H H 41 8.929 8.929 9.046 -0.117 25443 2816 1 5 . 1 1 42 42 LEU N N 42 128.791 128.791 127.627 1.164 25443 2817 1 5 . 1 1 42 42 LEU HA H 42 4.387 4.387 4.842 -0.455 25443 2818 1 5 . 1 1 42 42 LEU C C 42 174.979 174.979 175.915 -0.936 25443 2819 1 5 . 1 1 42 42 LEU CA C 42 53.345 53.345 53.213 0.132 25443 2820 1 5 . 1 1 42 42 LEU CB C 42 43.298 43.298 45.387 -2.089 25443 2821 1 5 . 1 1 42 42 LEU H H 42 8.309 8.309 9.160 -0.851 25443 2822 1 5 . 1 1 43 43 SER N N 43 122.753 122.753 122.684 0.069 25443 2823 1 5 . 1 1 43 43 SER HA H 43 3.821 3.821 4.492 -0.671 25443 2824 1 5 . 1 1 43 43 SER C C 43 173.870 173.870 173.634 0.236 25443 2825 1 5 . 1 1 43 43 SER CA C 43 59.707 59.707 59.632 0.076 25443 2826 1 5 . 1 1 43 43 SER CB C 43 62.714 62.714 62.907 -0.193 25443 2827 1 5 . 1 1 43 43 SER H H 43 8.317 8.317 8.688 -0.371 25443 2828 1 5 . 1 1 44 44 ARG N N 44 128.068 128.068 124.993 3.075 25443 2829 1 5 . 1 1 44 44 ARG HA H 44 4.763 4.763 4.962 -0.199 25443 2830 1 5 . 1 1 44 44 ARG C C 44 175.094 175.094 175.531 -0.437 25443 2831 1 5 . 1 1 44 44 ARG CA C 44 54.100 54.100 54.553 -0.453 25443 2832 1 5 . 1 1 44 44 ARG CB C 44 34.218 34.218 33.768 0.450 25443 2833 1 5 . 1 1 44 44 ARG H H 44 8.152 8.152 7.982 0.170 25443 2834 1 5 . 1 1 45 45 ASP N N 45 123.595 123.595 121.745 1.850 25443 2835 1 5 . 1 1 45 45 ASP HA H 45 4.172 4.172 4.544 -0.372 25443 2836 1 5 . 1 1 45 45 ASP C C 45 177.467 177.467 177.271 0.196 25443 2837 1 5 . 1 1 45 45 ASP CA C 45 54.898 54.898 54.291 0.607 25443 2838 1 5 . 1 1 45 45 ASP CB C 45 43.568 43.568 42.711 0.857 25443 2839 1 5 . 1 1 45 45 ASP H H 45 8.628 8.628 8.892 -0.264 25443 2840 1 5 . 1 1 46 46 GLU N N 46 125.161 125.161 123.817 1.344 25443 2841 1 5 . 1 1 46 46 GLU HA H 46 3.843 3.843 4.288 -0.445 25443 2842 1 5 . 1 1 46 46 GLU C C 46 175.690 175.690 176.593 -0.903 25443 2843 1 5 . 1 1 46 46 GLU CA C 46 58.861 58.861 58.059 0.801 25443 2844 1 5 . 1 1 46 46 GLU CB C 46 29.636 29.636 29.887 -0.251 25443 2845 1 5 . 1 1 46 46 GLU H H 46 9.013 9.013 8.923 0.090 25443 2846 1 5 . 1 1 47 47 ASN N N 47 115.135 115.135 117.427 -2.292 25443 2847 1 5 . 1 1 47 47 ASN HA H 47 4.842 4.842 4.683 0.159 25443 2848 1 5 . 1 1 47 47 ASN C C 47 176.655 176.655 176.342 0.313 25443 2849 1 5 . 1 1 47 47 ASN CA C 47 54.897 54.897 55.217 -0.320 25443 2850 1 5 . 1 1 47 47 ASN CB C 47 40.141 40.141 38.910 1.232 25443 2851 1 5 . 1 1 47 47 ASN H H 47 8.926 8.926 8.440 0.486 25443 2852 1 5 . 1 1 48 48 THR N N 48 107.544 107.544 112.086 -4.542 25443 2853 1 5 . 1 1 48 48 THR HA H 48 4.400 4.400 4.550 -0.150 25443 2854 1 5 . 1 1 48 48 THR C C 48 176.484 176.484 175.166 1.318 25443 2855 1 5 . 1 1 48 48 THR CA C 48 61.513 61.513 61.339 0.174 25443 2856 1 5 . 1 1 48 48 THR CB C 48 71.189 71.189 70.015 1.174 25443 2857 1 5 . 1 1 48 48 THR H H 48 8.455 8.455 8.980 -0.525 25443 2858 1 5 . 1 1 49 49 GLY N N 49 111.753 111.753 110.731 1.022 25443 2859 1 5 . 1 1 49 49 GLY C C 49 173.167 173.167 173.073 0.094 25443 2860 1 5 . 1 1 49 49 GLY CA C 49 45.628 45.628 45.014 0.614 25443 2861 1 5 . 1 1 49 49 GLY H H 49 8.607 8.607 7.948 0.659 25443 2862 1 5 . 1 1 50 50 GLU N N 50 119.978 119.978 117.811 2.167 25443 2863 1 5 . 1 1 50 50 GLU HA H 50 4.071 4.071 4.571 -0.500 25443 2864 1 5 . 1 1 50 50 GLU C C 50 176.629 176.629 176.333 0.296 25443 2865 1 5 . 1 1 50 50 GLU CA C 50 56.500 56.500 54.248 2.252 25443 2866 1 5 . 1 1 50 50 GLU CB C 50 30.927 30.927 31.021 -0.094 25443 2867 1 5 . 1 1 50 50 GLU H H 50 7.796 7.796 7.585 0.211 25443 2868 1 5 . 1 1 51 51 SER N N 51 115.672 115.672 116.196 -0.524 25443 2869 1 5 . 1 1 51 51 SER HA H 51 4.205 4.205 4.213 -0.008 25443 2870 1 5 . 1 1 51 51 SER C C 51 176.532 176.532 174.018 2.514 25443 2871 1 5 . 1 1 51 51 SER CA C 51 58.320 58.320 59.278 -0.958 25443 2872 1 5 . 1 1 51 51 SER CB C 51 64.596 64.596 63.319 1.277 25443 2873 1 5 . 1 1 51 51 SER H H 51 8.889 8.889 8.855 0.034 25443 2874 1 5 . 1 1 52 52 GLN N N 52 123.139 123.139 125.139 -2.000 25443 2875 1 5 . 1 1 52 52 GLN HA H 52 4.421 4.421 4.192 0.229 25443 2876 1 5 . 1 1 52 52 GLN C C 52 177.396 177.396 176.512 0.884 25443 2877 1 5 . 1 1 52 52 GLN CA C 52 55.051 55.051 56.385 -1.334 25443 2878 1 5 . 1 1 52 52 GLN CB C 52 29.874 29.874 29.815 0.059 25443 2879 1 5 . 1 1 52 52 GLN H H 52 9.078 9.078 8.701 0.377 25443 2880 1 5 . 1 1 53 53 GLY N N 53 105.904 105.904 106.800 -0.896 25443 2881 1 5 . 1 1 53 53 GLY C C 53 172.046 172.046 173.226 -1.180 25443 2882 1 5 . 1 1 53 53 GLY CA C 53 46.550 46.550 44.429 2.121 25443 2883 1 5 . 1 1 53 53 GLY H H 53 8.851 8.851 7.765 1.086 25443 2884 1 5 . 1 1 54 54 PHE N N 54 111.888 111.888 120.028 -8.140 25443 2885 1 5 . 1 1 54 54 PHE HA H 54 5.253 5.253 4.828 0.425 25443 2886 1 5 . 1 1 54 54 PHE C C 54 171.570 171.570 173.433 -1.863 25443 2887 1 5 . 1 1 54 54 PHE CA C 54 55.592 55.592 55.103 0.489 25443 2888 1 5 . 1 1 54 54 PHE CB C 54 40.806 40.806 41.163 -0.357 25443 2889 1 5 . 1 1 54 54 PHE H H 54 6.827 6.827 7.008 -0.181 25443 2890 1 5 . 1 1 55 55 ALA N N 55 121.888 121.888 122.128 -0.240 25443 2891 1 5 . 1 1 55 55 ALA HA H 55 5.032 5.032 4.643 0.389 25443 2892 1 5 . 1 1 55 55 ALA C C 55 172.957 172.957 174.749 -1.792 25443 2893 1 5 . 1 1 55 55 ALA CA C 55 49.477 49.477 50.461 -0.984 25443 2894 1 5 . 1 1 55 55 ALA H H 55 8.927 8.927 8.154 0.773 25443 2895 1 5 . 1 1 56 56 TYR N N 56 115.049 115.049 118.375 -3.326 25443 2896 1 5 . 1 1 56 56 TYR HA H 56 5.602 5.602 5.646 -0.044 25443 2897 1 5 . 1 1 56 56 TYR C C 56 175.162 175.162 174.455 0.707 25443 2898 1 5 . 1 1 56 56 TYR CA C 56 55.444 55.444 55.972 -0.528 25443 2899 1 5 . 1 1 56 56 TYR CB C 56 42.189 42.189 42.423 -0.234 25443 2900 1 5 . 1 1 56 56 TYR H H 56 9.020 9.020 9.178 -0.158 25443 2901 1 5 . 1 1 57 57 LEU N N 57 122.745 122.745 123.884 -1.139 25443 2902 1 5 . 1 1 57 57 LEU HA H 57 4.713 4.713 5.046 -0.333 25443 2903 1 5 . 1 1 57 57 LEU C C 57 172.371 172.371 174.654 -2.283 25443 2904 1 5 . 1 1 57 57 LEU CA C 57 54.712 54.712 54.603 0.109 25443 2905 1 5 . 1 1 57 57 LEU CB C 57 46.754 46.754 45.938 0.816 25443 2906 1 5 . 1 1 57 57 LEU H H 57 8.706 8.706 8.990 -0.284 25443 2907 1 5 . 1 1 58 58 LYS N N 58 125.469 125.469 129.065 -3.596 25443 2908 1 5 . 1 1 58 58 LYS HA H 58 4.467 4.467 4.698 -0.231 25443 2909 1 5 . 1 1 58 58 LYS C C 58 175.152 175.152 174.071 1.081 25443 2910 1 5 . 1 1 58 58 LYS CA C 58 54.494 54.494 54.619 -0.125 25443 2911 1 5 . 1 1 58 58 LYS CB C 58 36.479 36.479 33.655 2.824 25443 2912 1 5 . 1 1 58 58 LYS H H 58 7.948 7.948 9.031 -1.083 25443 2913 1 5 . 1 1 59 59 TYR N N 59 126.261 126.261 123.757 2.504 25443 2914 1 5 . 1 1 59 59 TYR HA H 59 5.003 5.003 4.834 0.169 25443 2915 1 5 . 1 1 59 59 TYR C C 59 176.020 176.020 174.459 1.561 25443 2916 1 5 . 1 1 59 59 TYR CA C 59 57.992 57.992 55.355 2.637 25443 2917 1 5 . 1 1 59 59 TYR CB C 59 41.715 41.715 40.392 1.323 25443 2918 1 5 . 1 1 59 59 TYR H H 59 8.957 8.957 7.656 1.301 25443 2919 1 5 . 1 1 60 60 GLU N N 60 120.342 120.342 123.524 -3.182 25443 2920 1 5 . 1 1 60 60 GLU HA H 60 3.839 3.839 4.509 -0.670 25443 2921 1 5 . 1 1 60 60 GLU C C 60 175.346 175.346 175.489 -0.143 25443 2922 1 5 . 1 1 60 60 GLU CA C 60 59.057 59.057 56.261 2.796 25443 2923 1 5 . 1 1 60 60 GLU CB C 60 30.653 30.653 30.318 0.335 25443 2924 1 5 . 1 1 60 60 GLU H H 60 8.845 8.845 8.841 0.004 25443 2925 1 5 . 1 1 61 61 ASP N N 61 116.193 116.193 125.380 -9.187 25443 2926 1 5 . 1 1 61 61 ASP HA H 61 4.915 4.915 4.639 0.276 25443 2927 1 5 . 1 1 61 61 ASP C C 61 176.659 176.659 175.733 0.926 25443 2928 1 5 . 1 1 61 61 ASP CA C 61 51.856 51.856 54.930 -3.074 25443 2929 1 5 . 1 1 61 61 ASP CB C 61 43.726 43.726 41.729 1.997 25443 2930 1 5 . 1 1 61 61 ASP H H 61 7.922 7.922 8.331 -0.409 25443 2931 1 5 . 1 1 62 62 GLN N N 62 125.812 125.812 125.475 0.337 25443 2932 1 5 . 1 1 62 62 GLN HA H 62 4.221 4.221 4.088 0.133 25443 2933 1 5 . 1 1 62 62 GLN C C 62 178.430 178.430 177.559 0.871 25443 2934 1 5 . 1 1 62 62 GLN CA C 62 58.449 58.449 59.506 -1.057 25443 2935 1 5 . 1 1 62 62 GLN CB C 62 28.076 28.076 28.959 -0.883 25443 2936 1 5 . 1 1 62 62 GLN H H 62 8.964 8.964 8.708 0.256 25443 2937 1 5 . 1 1 63 63 ARG N N 63 120.943 120.943 120.258 0.685 25443 2938 1 5 . 1 1 63 63 ARG HA H 63 3.979 3.979 4.115 -0.136 25443 2939 1 5 . 1 1 63 63 ARG C C 63 179.350 179.350 178.305 1.045 25443 2940 1 5 . 1 1 63 63 ARG CA C 63 59.398 59.398 58.721 0.677 25443 2941 1 5 . 1 1 63 63 ARG CB C 63 29.466 29.466 29.605 -0.139 25443 2942 1 5 . 1 1 63 63 ARG H H 63 8.965 8.965 8.427 0.538 25443 2943 1 5 . 1 1 64 64 SER N N 64 115.358 115.358 113.847 1.511 25443 2944 1 5 . 1 1 64 64 SER HA H 64 3.898 3.898 4.375 -0.477 25443 2945 1 5 . 1 1 64 64 SER C C 64 174.444 174.444 176.799 -2.355 25443 2946 1 5 . 1 1 64 64 SER CA C 64 62.459 62.459 61.860 0.599 25443 2947 1 5 . 1 1 64 64 SER CB C 64 62.040 62.040 62.608 -0.568 25443 2948 1 5 . 1 1 64 64 SER H H 64 8.065 8.065 9.225 -1.160 25443 2949 1 5 . 1 1 65 65 THR N N 65 113.614 113.614 117.106 -3.492 25443 2950 1 5 . 1 1 65 65 THR HA H 65 3.751 3.751 4.465 -0.714 25443 2951 1 5 . 1 1 65 65 THR C C 65 175.357 175.357 176.549 -1.192 25443 2952 1 5 . 1 1 65 65 THR CA C 65 66.292 66.292 65.876 0.416 25443 2953 1 5 . 1 1 65 65 THR CB C 65 68.457 68.457 68.469 -0.012 25443 2954 1 5 . 1 1 65 65 THR H H 65 7.484 7.484 8.046 -0.562 25443 2955 1 5 . 1 1 66 66 ILE N N 66 120.736 120.736 122.540 -1.804 25443 2956 1 5 . 1 1 66 66 ILE HA H 66 3.653 3.653 4.100 -0.447 25443 2957 1 5 . 1 1 66 66 ILE C C 66 177.518 177.518 178.072 -0.554 25443 2958 1 5 . 1 1 66 66 ILE CA C 66 64.014 64.014 64.439 -0.425 25443 2959 1 5 . 1 1 66 66 ILE CB C 66 42.194 42.194 37.577 4.617 25443 2960 1 5 . 1 1 66 66 ILE H H 66 6.976 6.976 7.470 -0.494 25443 2961 1 5 . 1 1 67 67 LEU N N 67 117.584 117.584 121.639 -4.055 25443 2962 1 5 . 1 1 67 67 LEU HA H 67 3.921 3.921 3.948 -0.027 25443 2963 1 5 . 1 1 67 67 LEU C C 67 179.650 179.650 178.457 1.193 25443 2964 1 5 . 1 1 67 67 LEU CA C 67 57.452 57.452 58.390 -0.938 25443 2965 1 5 . 1 1 67 67 LEU CB C 67 42.172 42.172 41.976 0.196 25443 2966 1 5 . 1 1 67 67 LEU H H 67 7.006 7.006 7.647 -0.641 25443 2967 1 5 . 1 1 68 68 ALA N N 68 121.025 121.025 121.167 -0.142 25443 2968 1 5 . 1 1 68 68 ALA HA H 68 3.285 3.285 3.842 -0.557 25443 2969 1 5 . 1 1 68 68 ALA C C 68 179.216 179.216 179.654 -0.438 25443 2970 1 5 . 1 1 68 68 ALA CA C 68 55.564 55.564 55.265 0.299 25443 2971 1 5 . 1 1 68 68 ALA CB C 68 18.852 18.852 18.046 0.806 25443 2972 1 5 . 1 1 68 68 ALA H H 68 8.121 8.121 8.544 -0.423 25443 2973 1 5 . 1 1 69 69 VAL N N 69 117.799 117.799 118.194 -0.395 25443 2974 1 5 . 1 1 69 69 VAL HA H 69 3.243 3.243 3.509 -0.266 25443 2975 1 5 . 1 1 69 69 VAL C C 69 178.541 178.541 178.068 0.473 25443 2976 1 5 . 1 1 69 69 VAL CA C 69 67.237 67.237 66.936 0.301 25443 2977 1 5 . 1 1 69 69 VAL CB C 69 31.679 31.679 31.755 -0.076 25443 2978 1 5 . 1 1 69 69 VAL H H 69 8.012 8.012 7.751 0.261 25443 2979 1 5 . 1 1 70 70 ASP N N 70 117.013 117.013 118.722 -1.709 25443 2980 1 5 . 1 1 70 70 ASP HA H 70 4.339 4.339 4.469 -0.130 25443 2981 1 5 . 1 1 70 70 ASP C C 70 178.330 178.330 178.073 0.257 25443 2982 1 5 . 1 1 70 70 ASP CA C 70 57.131 57.131 57.324 -0.193 25443 2983 1 5 . 1 1 70 70 ASP CB C 70 40.465 40.465 40.873 -0.408 25443 2984 1 5 . 1 1 70 70 ASP H H 70 8.216 8.216 7.910 0.306 25443 2985 1 5 . 1 1 71 71 ASN N N 71 112.777 112.777 118.136 -5.359 25443 2986 1 5 . 1 1 71 71 ASN HA H 71 4.587 4.587 4.634 -0.047 25443 2987 1 5 . 1 1 71 71 ASN C C 71 176.314 176.314 176.836 -0.522 25443 2988 1 5 . 1 1 71 71 ASN CA C 71 55.474 55.474 55.587 -0.113 25443 2989 1 5 . 1 1 71 71 ASN CB C 71 40.592 40.592 39.128 1.464 25443 2990 1 5 . 1 1 71 71 ASN H H 71 7.582 7.582 8.483 -0.901 25443 2991 1 5 . 1 1 72 72 LEU N N 72 116.551 116.551 116.021 0.530 25443 2992 1 5 . 1 1 72 72 LEU HA H 72 4.494 4.494 4.205 0.289 25443 2993 1 5 . 1 1 72 72 LEU C C 72 177.500 177.500 177.167 0.333 25443 2994 1 5 . 1 1 72 72 LEU CA C 72 54.590 54.590 55.492 -0.902 25443 2995 1 5 . 1 1 72 72 LEU CB C 72 42.862 42.862 41.937 0.925 25443 2996 1 5 . 1 1 72 72 LEU H H 72 8.201 8.201 7.979 0.222 25443 2997 1 5 . 1 1 73 73 ASN N N 73 118.974 118.974 118.334 0.640 25443 2998 1 5 . 1 1 73 73 ASN HA H 73 4.392 4.392 4.572 -0.180 25443 2999 1 5 . 1 1 73 73 ASN C C 73 177.151 177.151 176.663 0.488 25443 3000 1 5 . 1 1 73 73 ASN CA C 73 56.276 56.276 55.086 1.190 25443 3001 1 5 . 1 1 73 73 ASN CB C 73 38.853 38.853 38.203 0.650 25443 3002 1 5 . 1 1 73 73 ASN H H 73 7.406 7.406 7.609 -0.203 25443 3003 1 5 . 1 1 74 74 GLY N N 74 116.478 116.478 114.361 2.117 25443 3004 1 5 . 1 1 74 74 GLY C C 74 172.756 172.756 173.724 -0.968 25443 3005 1 5 . 1 1 74 74 GLY CA C 74 45.662 45.662 45.397 0.265 25443 3006 1 5 . 1 1 74 74 GLY H H 74 9.106 9.106 8.928 0.178 25443 3007 1 5 . 1 1 75 75 PHE N N 75 123.853 123.853 122.323 1.530 25443 3008 1 5 . 1 1 75 75 PHE HA H 75 4.328 4.328 4.498 -0.170 25443 3009 1 5 . 1 1 75 75 PHE C C 75 175.065 175.065 174.857 0.208 25443 3010 1 5 . 1 1 75 75 PHE CA C 75 58.371 58.371 57.923 0.448 25443 3011 1 5 . 1 1 75 75 PHE CB C 75 40.947 40.947 40.850 0.097 25443 3012 1 5 . 1 1 75 75 PHE H H 75 8.074 8.074 8.023 0.051 25443 3013 1 5 . 1 1 76 76 LYS N N 76 126.700 126.700 128.770 -2.070 25443 3014 1 5 . 1 1 76 76 LYS HA H 76 4.536 4.536 5.053 -0.517 25443 3015 1 5 . 1 1 76 76 LYS C C 76 175.395 175.395 175.863 -0.468 25443 3016 1 5 . 1 1 76 76 LYS CA C 76 56.227 56.227 55.555 0.672 25443 3017 1 5 . 1 1 76 76 LYS CB C 76 32.969 32.969 32.423 0.546 25443 3018 1 5 . 1 1 76 76 LYS H H 76 7.766 7.766 8.176 -0.410 25443 3019 1 5 . 1 1 77 77 ILE N N 77 120.686 120.686 128.338 -7.652 25443 3020 1 5 . 1 1 77 77 ILE HA H 77 4.231 4.231 4.261 -0.030 25443 3021 1 5 . 1 1 77 77 ILE C C 77 177.605 177.605 175.504 2.101 25443 3022 1 5 . 1 1 77 77 ILE CA C 77 59.981 59.981 59.511 0.469 25443 3023 1 5 . 1 1 77 77 ILE CB C 77 40.409 40.409 37.880 2.529 25443 3024 1 5 . 1 1 77 77 ILE H H 77 8.005 8.005 9.016 -1.011 25443 3025 1 5 . 1 1 78 78 GLY N N 78 118.352 118.352 115.242 3.110 25443 3026 1 5 . 1 1 78 78 GLY C C 78 175.639 175.639 174.963 0.676 25443 3027 1 5 . 1 1 78 78 GLY CA C 78 47.227 47.227 45.009 2.218 25443 3028 1 5 . 1 1 78 78 GLY H H 78 9.800 9.800 8.698 1.102 25443 3029 1 5 . 1 1 79 79 GLY N N 79 104.167 104.167 104.604 -0.437 25443 3030 1 5 . 1 1 79 79 GLY C C 79 173.371 173.371 173.609 -0.238 25443 3031 1 5 . 1 1 79 79 GLY CA C 79 45.037 45.037 44.902 0.135 25443 3032 1 5 . 1 1 79 79 GLY H H 79 8.795 8.795 8.328 0.467 25443 3033 1 5 . 1 1 80 80 ARG N N 80 119.090 119.090 118.654 0.436 25443 3034 1 5 . 1 1 80 80 ARG HA H 80 4.590 4.590 4.587 0.003 25443 3035 1 5 . 1 1 80 80 ARG C C 80 174.563 174.563 174.459 0.104 25443 3036 1 5 . 1 1 80 80 ARG CA C 80 54.615 54.615 54.127 0.488 25443 3037 1 5 . 1 1 80 80 ARG CB C 80 33.487 33.487 32.158 1.329 25443 3038 1 5 . 1 1 80 80 ARG H H 80 7.281 7.281 7.712 -0.431 25443 3039 1 5 . 1 1 81 81 ALA N N 81 126.039 126.039 125.942 0.097 25443 3040 1 5 . 1 1 81 81 ALA HA H 81 4.216 4.216 4.881 -0.665 25443 3041 1 5 . 1 1 81 81 ALA C C 81 177.149 177.149 177.191 -0.042 25443 3042 1 5 . 1 1 81 81 ALA CA C 81 51.081 51.081 50.990 0.090 25443 3043 1 5 . 1 1 81 81 ALA CB C 81 19.226 19.226 19.730 -0.504 25443 3044 1 5 . 1 1 81 81 ALA H H 81 8.651 8.651 8.483 0.168 25443 3045 1 5 . 1 1 82 82 LEU N N 82 125.451 125.451 125.335 0.116 25443 3046 1 5 . 1 1 82 82 LEU HA H 82 4.390 4.390 4.333 0.057 25443 3047 1 5 . 1 1 82 82 LEU C C 82 177.498 177.498 176.559 0.939 25443 3048 1 5 . 1 1 82 82 LEU CA C 82 56.065 56.065 55.192 0.873 25443 3049 1 5 . 1 1 82 82 LEU CB C 82 43.267 43.267 42.975 0.292 25443 3050 1 5 . 1 1 82 82 LEU H H 82 8.805 8.805 8.571 0.234 25443 3051 1 5 . 1 1 83 83 LYS N N 83 123.253 123.253 123.580 -0.327 25443 3052 1 5 . 1 1 83 83 LYS C C 83 174.892 174.892 174.429 0.463 25443 3053 1 5 . 1 1 83 83 LYS CA C 83 54.892 54.892 55.163 -0.271 25443 3054 1 5 . 1 1 83 83 LYS H H 83 7.768 7.768 8.614 -0.846 25443 3055 1 5 . 1 1 84 84 ILE N N 84 125.577 125.577 125.815 -0.238 25443 3056 1 5 . 1 1 84 84 ILE HA H 84 5.581 5.581 5.433 0.148 25443 3057 1 5 . 1 1 84 84 ILE C C 84 174.901 174.901 175.719 -0.818 25443 3058 1 5 . 1 1 84 84 ILE CA C 84 58.803 58.803 57.992 0.811 25443 3059 1 5 . 1 1 84 84 ILE CB C 84 40.306 40.306 39.193 1.113 25443 3060 1 5 . 1 1 84 84 ILE H H 84 8.616 8.616 8.509 0.107 25443 3061 1 5 . 1 1 85 85 ASP N N 85 125.373 125.373 124.967 0.406 25443 3062 1 5 . 1 1 85 85 ASP HA H 85 4.909 4.909 5.028 -0.119 25443 3063 1 5 . 1 1 85 85 ASP C C 85 174.826 174.826 174.794 0.032 25443 3064 1 5 . 1 1 85 85 ASP CA C 85 52.372 52.372 52.332 0.040 25443 3065 1 5 . 1 1 85 85 ASP CB C 85 45.290 45.290 44.639 0.651 25443 3066 1 5 . 1 1 85 85 ASP H H 85 8.907 8.907 8.722 0.185 25443 3067 1 5 . 1 1 86 86 HIS N N 86 121.396 121.396 122.418 -1.022 25443 3068 1 5 . 1 1 86 86 HIS CA C 86 57.540 57.540 57.005 0.535 25443 3069 1 5 . 1 1 86 86 HIS CB C 86 30.985 30.985 30.265 0.720 25443 3070 1 5 . 1 1 86 86 HIS H H 86 8.970 8.970 8.905 0.065 25443 3071 1 5 . 1 1 87 87 THR N N 87 116.761 116.761 118.720 -1.959 25443 3072 1 5 . 1 1 87 87 THR HA H 87 4.652 4.652 4.570 0.082 25443 3073 1 5 . 1 1 87 87 THR C C 87 171.272 171.272 172.132 -0.860 25443 3074 1 5 . 1 1 87 87 THR CA C 87 60.710 60.710 60.126 0.584 25443 3075 1 5 . 1 1 87 87 THR CB C 87 69.764 69.764 70.017 -0.253 25443 3076 1 5 . 1 1 87 87 THR H H 87 8.557 8.557 8.406 0.151 25443 3077 1 5 . 1 1 88 88 PHE N N 88 120.343 120.343 121.676 -1.333 25443 3078 1 5 . 1 1 88 88 PHE HA H 88 5.273 5.273 5.865 -0.592 25443 3079 1 5 . 1 1 88 88 PHE C C 88 174.288 174.288 173.589 0.699 25443 3080 1 5 . 1 1 88 88 PHE CA C 88 55.959 55.959 55.606 0.353 25443 3081 1 5 . 1 1 88 88 PHE CB C 88 41.079 41.079 42.206 -1.127 25443 3082 1 5 . 1 1 88 88 PHE H H 88 8.114 8.114 8.375 -0.261 25443 3083 1 5 . 1 1 89 89 TYR N N 89 123.043 123.043 126.722 -3.679 25443 3084 1 5 . 1 1 89 89 TYR HA H 89 4.026 4.026 4.439 -0.413 25443 3085 1 5 . 1 1 89 89 TYR C C 89 173.155 173.155 173.492 -0.337 25443 3086 1 5 . 1 1 89 89 TYR CA C 89 57.493 57.493 57.485 0.008 25443 3087 1 5 . 1 1 89 89 TYR CB C 89 39.829 39.829 42.226 -2.397 25443 3088 1 5 . 1 1 89 89 TYR H H 89 8.176 8.176 9.258 -1.082 25443 3089 1 5 . 1 1 90 90 ARG N N 90 129.004 129.004 128.109 0.895 25443 3090 1 5 . 1 1 90 90 ARG HA H 90 4.398 4.398 4.329 0.069 25443 3091 1 5 . 1 1 90 90 ARG CA C 90 51.548 51.548 52.895 -1.347 25443 3092 1 5 . 1 1 90 90 ARG CB C 90 30.882 30.882 29.907 0.975 25443 3093 1 5 . 1 1 90 90 ARG H H 90 7.078 7.078 8.175 -1.097 25443 3094 1 5 . 1 1 91 91 PRO HA H 91 4.155 4.155 4.237 -0.082 25443 3095 1 5 . 1 1 91 91 PRO C C 91 176.340 176.340 176.479 -0.139 25443 3096 1 5 . 1 1 91 91 PRO CA C 91 62.454 62.454 62.492 -0.038 25443 3097 1 5 . 1 1 91 91 PRO CB C 91 33.072 33.072 31.936 1.136 25443 3098 1 5 . 1 1 92 92 LYS N N 92 119.682 119.682 122.737 -3.055 25443 3099 1 5 . 1 1 92 92 LYS CA C 92 54.711 54.711 54.479 0.232 25443 3100 1 5 . 1 1 92 92 LYS H H 92 8.644 8.644 7.961 0.683 25443 3101 1 5 . 1 1 93 93 ARG C C 93 178.899 178.899 178.055 0.844 25443 3102 1 5 . 1 1 93 93 ARG CA C 93 59.125 59.125 58.523 0.602 25443 3103 1 5 . 1 1 94 94 SER N N 94 112.166 112.166 115.354 -3.188 25443 3104 1 5 . 1 1 94 94 SER HA H 94 4.176 4.176 4.323 -0.147 25443 3105 1 5 . 1 1 94 94 SER C C 94 175.776 175.776 174.866 0.910 25443 3106 1 5 . 1 1 94 94 SER CA C 94 60.031 60.031 61.099 -1.067 25443 3107 1 5 . 1 1 94 94 SER CB C 94 62.152 62.152 62.966 -0.814 25443 3108 1 5 . 1 1 94 94 SER H H 94 8.299 8.299 8.339 -0.040 25443 3109 1 5 . 1 1 95 95 LEU N N 95 122.179 122.179 120.688 1.491 25443 3110 1 5 . 1 1 95 95 LEU HA H 95 4.651 4.651 4.758 -0.107 25443 3111 1 5 . 1 1 95 95 LEU C C 95 175.381 175.381 177.564 -2.183 25443 3112 1 5 . 1 1 95 95 LEU CA C 95 53.934 53.934 53.265 0.669 25443 3113 1 5 . 1 1 95 95 LEU CB C 95 41.861 41.861 40.916 0.945 25443 3114 1 5 . 1 1 95 95 LEU H H 95 7.159 7.159 7.435 -0.276 25443 3115 1 5 . 1 1 96 96 GLN N N 96 118.834 118.834 120.487 -1.653 25443 3116 1 5 . 1 1 96 96 GLN HA H 96 4.030 4.030 4.281 -0.251 25443 3117 1 5 . 1 1 96 96 GLN C C 96 177.751 177.751 177.071 0.680 25443 3118 1 5 . 1 1 96 96 GLN CA C 96 60.705 60.705 59.205 1.500 25443 3119 1 5 . 1 1 96 96 GLN CB C 96 28.822 28.822 28.424 0.399 25443 3120 1 5 . 1 1 96 96 GLN H H 96 7.329 7.329 7.655 -0.326 25443 3121 1 5 . 1 1 97 97 LYS N N 97 116.469 116.469 117.989 -1.520 25443 3122 1 5 . 1 1 97 97 LYS HA H 97 4.060 4.060 4.122 -0.062 25443 3123 1 5 . 1 1 97 97 LYS C C 97 179.164 179.164 178.056 1.108 25443 3124 1 5 . 1 1 97 97 LYS CA C 97 59.430 59.430 58.520 0.910 25443 3125 1 5 . 1 1 97 97 LYS CB C 97 31.511 31.511 31.638 -0.127 25443 3126 1 5 . 1 1 97 97 LYS H H 97 8.614 8.614 8.172 0.442 25443 3127 1 5 . 1 1 98 98 TYR N N 98 124.165 124.165 122.537 1.628 25443 3128 1 5 . 1 1 98 98 TYR HA H 98 4.079 4.079 4.048 0.031 25443 3129 1 5 . 1 1 98 98 TYR C C 98 177.316 177.316 177.459 -0.143 25443 3130 1 5 . 1 1 98 98 TYR CA C 98 62.205 62.205 62.045 0.160 25443 3131 1 5 . 1 1 98 98 TYR CB C 98 37.162 37.162 38.637 -1.475 25443 3132 1 5 . 1 1 98 98 TYR H H 98 7.585 7.585 7.915 -0.330 25443 3133 1 5 . 1 1 99 99 TYR N N 99 117.955 117.955 116.721 1.234 25443 3134 1 5 . 1 1 99 99 TYR HA H 99 5.078 5.078 4.290 0.788 25443 3135 1 5 . 1 1 99 99 TYR C C 99 180.957 180.957 178.394 2.563 25443 3136 1 5 . 1 1 99 99 TYR CA C 99 57.741 57.741 61.349 -3.608 25443 3137 1 5 . 1 1 99 99 TYR CB C 99 37.083 37.083 37.764 -0.681 25443 3138 1 5 . 1 1 99 99 TYR H H 99 8.660 8.660 7.773 0.887 25443 3139 1 5 . 1 1 100 100 GLU N N 100 118.796 118.796 120.149 -1.353 25443 3140 1 5 . 1 1 100 100 GLU HA H 100 4.024 4.024 4.047 -0.023 25443 3141 1 5 . 1 1 100 100 GLU C C 100 178.571 178.571 178.409 0.162 25443 3142 1 5 . 1 1 100 100 GLU CA C 100 59.400 59.400 58.958 0.442 25443 3143 1 5 . 1 1 100 100 GLU CB C 100 29.660 29.660 29.253 0.407 25443 3144 1 5 . 1 1 100 100 GLU H H 100 8.263 8.263 8.213 0.050 25443 3145 1 5 . 1 1 101 101 ALA N N 101 123.346 123.346 121.992 1.354 25443 3146 1 5 . 1 1 101 101 ALA HA H 101 4.244 4.244 4.006 0.238 25443 3147 1 5 . 1 1 101 101 ALA C C 101 181.331 181.331 179.548 1.783 25443 3148 1 5 . 1 1 101 101 ALA CA C 101 54.851 54.851 55.437 -0.586 25443 3149 1 5 . 1 1 101 101 ALA CB C 101 18.559 18.559 18.404 0.155 25443 3150 1 5 . 1 1 101 101 ALA H H 101 7.966 7.966 7.838 0.128 25443 3151 1 5 . 1 1 102 102 VAL N N 102 120.241 120.241 115.756 4.485 25443 3152 1 5 . 1 1 102 102 VAL HA H 102 3.713 3.713 3.502 0.211 25443 3153 1 5 . 1 1 102 102 VAL C C 102 176.967 176.967 177.636 -0.669 25443 3154 1 5 . 1 1 102 102 VAL CA C 102 67.433 67.433 66.042 1.391 25443 3155 1 5 . 1 1 102 102 VAL CB C 102 31.721 31.721 31.169 0.551 25443 3156 1 5 . 1 1 102 102 VAL H H 102 8.331 8.331 8.057 0.274 25443 3157 1 5 . 1 1 103 103 LYS N N 103 120.001 120.001 122.086 -2.085 25443 3158 1 5 . 1 1 103 103 LYS HA H 103 3.859 3.859 3.909 -0.050 25443 3159 1 5 . 1 1 103 103 LYS C C 103 178.500 178.500 178.578 -0.078 25443 3160 1 5 . 1 1 103 103 LYS CA C 103 59.652 59.652 60.166 -0.514 25443 3161 1 5 . 1 1 103 103 LYS CB C 103 32.040 32.040 32.495 -0.455 25443 3162 1 5 . 1 1 103 103 LYS H H 103 8.201 8.201 7.742 0.459 25443 3163 1 5 . 1 1 104 104 GLU N N 104 116.335 116.335 118.312 -1.977 25443 3164 1 5 . 1 1 104 104 GLU HA H 104 3.928 3.928 4.054 -0.126 25443 3165 1 5 . 1 1 104 104 GLU C C 104 178.645 178.645 179.160 -0.515 25443 3166 1 5 . 1 1 104 104 GLU CA C 104 59.110 59.110 59.302 -0.192 25443 3167 1 5 . 1 1 104 104 GLU CB C 104 29.607 29.607 29.090 0.517 25443 3168 1 5 . 1 1 104 104 GLU H H 104 7.909 7.909 8.116 -0.207 25443 3169 1 5 . 1 1 105 105 GLU N N 105 119.210 119.210 120.251 -1.041 25443 3170 1 5 . 1 1 105 105 GLU HA H 105 3.844 3.844 4.098 -0.254 25443 3171 1 5 . 1 1 105 105 GLU C C 105 178.613 178.613 179.315 -0.702 25443 3172 1 5 . 1 1 105 105 GLU CA C 105 58.162 58.162 58.791 -0.629 25443 3173 1 5 . 1 1 105 105 GLU CB C 105 29.754 29.754 29.394 0.360 25443 3174 1 5 . 1 1 105 105 GLU H H 105 7.257 7.257 8.275 -1.018 25443 3175 1 5 . 1 1 106 106 LEU N N 106 117.408 117.408 120.242 -2.834 25443 3176 1 5 . 1 1 106 106 LEU HA H 106 3.976 3.976 3.967 0.009 25443 3177 1 5 . 1 1 106 106 LEU C C 106 178.646 178.646 179.042 -0.396 25443 3178 1 5 . 1 1 106 106 LEU CA C 106 56.699 56.699 57.804 -1.105 25443 3179 1 5 . 1 1 106 106 LEU CB C 106 40.455 40.455 41.531 -1.076 25443 3180 1 5 . 1 1 106 106 LEU H H 106 8.169 8.169 8.491 -0.322 25443 3181 1 5 . 1 1 107 107 ASP N N 107 119.073 119.073 119.520 -0.447 25443 3182 1 5 . 1 1 107 107 ASP HA H 107 4.521 4.521 4.312 0.209 25443 3183 1 5 . 1 1 107 107 ASP C C 107 177.069 177.069 178.883 -1.814 25443 3184 1 5 . 1 1 107 107 ASP CA C 107 55.099 55.099 57.926 -2.827 25443 3185 1 5 . 1 1 107 107 ASP CB C 107 40.670 40.670 40.977 -0.307 25443 3186 1 5 . 1 1 107 107 ASP H H 107 8.003 8.003 8.317 -0.314 25443 3187 1 5 . 1 1 108 108 ARG N N 108 120.705 120.705 117.607 3.098 25443 3188 1 5 . 1 1 108 108 ARG HA H 108 4.067 4.067 4.130 -0.063 25443 3189 1 5 . 1 1 108 108 ARG C C 108 176.990 176.990 178.079 -1.089 25443 3190 1 5 . 1 1 108 108 ARG CA C 108 57.517 57.517 58.211 -0.694 25443 3191 1 5 . 1 1 108 108 ARG CB C 108 30.407 30.407 30.317 0.090 25443 3192 1 5 . 1 1 108 108 ARG H H 108 7.603 7.603 7.789 -0.186 25443 3193 1 5 . 1 1 109 109 ASP N N 109 120.246 120.246 119.146 1.100 25443 3194 1 5 . 1 1 109 109 ASP HA H 109 4.521 4.521 4.488 0.033 25443 3195 1 5 . 1 1 109 109 ASP C C 109 176.630 176.630 177.690 -1.060 25443 3196 1 5 . 1 1 109 109 ASP CA C 109 55.028 55.028 56.404 -1.376 25443 3197 1 5 . 1 1 109 109 ASP CB C 109 40.936 40.936 41.020 -0.084 25443 3198 1 5 . 1 1 109 109 ASP H H 109 8.226 8.226 7.812 0.414 25443 3199 1 5 . 1 1 110 110 ILE N N 110 120.386 120.386 118.377 2.009 25443 3200 1 5 . 1 1 110 110 ILE HA H 110 3.987 3.987 3.648 0.339 25443 3201 1 5 . 1 1 110 110 ILE C C 110 176.996 176.996 177.542 -0.546 25443 3202 1 5 . 1 1 110 110 ILE CA C 110 62.241 62.241 64.637 -2.396 25443 3203 1 5 . 1 1 110 110 ILE CB C 110 38.359 38.359 38.420 -0.062 25443 3204 1 5 . 1 1 110 110 ILE H H 110 7.863 7.863 7.516 0.347 25443 3205 1 5 . 1 1 111 111 VAL N N 111 122.548 122.548 113.569 8.979 25443 3206 1 5 . 1 1 111 111 VAL HA H 111 3.946 3.946 3.551 0.395 25443 3207 1 5 . 1 1 111 111 VAL C C 111 176.938 176.938 177.402 -0.464 25443 3208 1 5 . 1 1 111 111 VAL CA C 111 63.499 63.499 65.787 -2.288 25443 3209 1 5 . 1 1 111 111 VAL CB C 111 32.223 32.223 29.680 2.543 25443 3210 1 5 . 1 1 111 111 VAL H H 111 8.016 8.016 7.919 0.097 25443 3211 1 5 . 1 1 112 112 SER N N 112 117.984 117.984 116.875 1.109 25443 3212 1 5 . 1 1 112 112 SER HA H 112 4.317 4.317 4.389 -0.072 25443 3213 1 5 . 1 1 112 112 SER C C 112 175.154 175.154 175.395 -0.241 25443 3214 1 5 . 1 1 112 112 SER CA C 112 59.025 59.025 60.475 -1.450 25443 3215 1 5 . 1 1 112 112 SER CB C 112 63.419 63.419 62.990 0.429 25443 3216 1 5 . 1 1 112 112 SER H H 112 8.187 8.187 8.248 -0.061 25443 3217 1 5 . 1 1 113 113 LYS N N 113 122.727 122.727 121.081 1.646 25443 3218 1 5 . 1 1 113 113 LYS HA H 113 4.209 4.209 4.225 -0.016 25443 3219 1 5 . 1 1 113 113 LYS C C 113 176.713 176.713 176.168 0.545 25443 3220 1 5 . 1 1 113 113 LYS CA C 113 56.844 56.844 56.211 0.633 25443 3221 1 5 . 1 1 113 113 LYS CB C 113 32.794 32.794 33.129 -0.335 25443 3222 1 5 . 1 1 113 113 LYS H H 113 8.152 8.152 7.916 0.236 25443 3223 1 5 . 1 1 114 114 ASN N N 114 118.886 118.886 116.132 2.754 25443 3224 1 5 . 1 1 114 114 ASN C C 114 175.227 175.227 175.201 0.026 25443 3225 1 5 . 1 1 114 114 ASN CA C 114 53.549 53.549 54.232 -0.683 25443 3226 1 5 . 1 1 114 114 ASN H H 114 8.261 8.261 7.943 0.318 25443 3227 1 5 . 1 1 115 115 ASN N N 115 119.345 119.345 119.923 -0.578 25443 3228 1 5 . 1 1 115 115 ASN C C 115 174.896 174.896 175.028 -0.132 25443 3229 1 5 . 1 1 115 115 ASN CA C 115 53.476 53.476 54.398 -0.921 25443 3230 1 5 . 1 1 115 115 ASN H H 115 8.257 8.257 8.619 -0.362 25443 3231 1 5 . 1 1 116 116 ALA N N 116 123.669 123.669 121.619 2.050 25443 3232 1 5 . 1 1 116 116 ALA HA H 116 4.254 4.254 4.113 0.141 25443 3233 1 5 . 1 1 116 116 ALA C C 116 177.567 177.567 176.420 1.147 25443 3234 1 5 . 1 1 116 116 ALA CA C 116 52.678 52.678 52.860 -0.182 25443 3235 1 5 . 1 1 116 116 ALA CB C 116 19.243 19.243 16.974 2.269 25443 3236 1 5 . 1 1 116 116 ALA H H 116 8.094 8.094 8.111 -0.017 25443 3237 1 5 . 1 1 117 117 GLU N N 117 120.083 120.083 115.693 4.390 25443 3238 1 5 . 1 1 117 117 GLU C C 117 175.564 175.564 175.789 -0.225 25443 3239 1 5 . 1 1 117 117 GLU CA C 117 56.602 56.602 57.409 -0.807 25443 3240 1 5 . 1 1 117 117 GLU H H 117 8.221 8.221 8.428 -0.207 25443 3241 1 6 . 1 1 2 2 ALA HA H 2 4.286 4.286 4.608 -0.322 25443 3242 1 6 . 1 1 2 2 ALA C C 2 177.853 177.853 178.414 -0.561 25443 3243 1 6 . 1 1 2 2 ALA CA C 2 52.661 52.661 51.231 1.430 25443 3244 1 6 . 1 1 2 2 ALA CB C 2 19.308 19.308 20.604 -1.296 25443 3245 1 6 . 1 1 3 3 MET N N 3 119.404 119.404 119.585 -0.181 25443 3246 1 6 . 1 1 3 3 MET HA H 3 4.435 4.435 4.407 0.028 25443 3247 1 6 . 1 1 3 3 MET C C 3 176.731 176.731 177.265 -0.534 25443 3248 1 6 . 1 1 3 3 MET CA C 3 55.503 55.503 57.343 -1.840 25443 3249 1 6 . 1 1 3 3 MET CB C 3 32.795 32.795 32.736 0.059 25443 3250 1 6 . 1 1 3 3 MET H H 3 8.530 8.530 8.642 -0.112 25443 3251 1 6 . 1 1 4 4 GLY N N 4 109.968 109.968 105.762 4.206 25443 3252 1 6 . 1 1 4 4 GLY C C 4 174.057 174.057 175.049 -0.992 25443 3253 1 6 . 1 1 4 4 GLY CA C 4 45.363 45.363 46.247 -0.884 25443 3254 1 6 . 1 1 4 4 GLY H H 4 8.414 8.414 8.657 -0.243 25443 3255 1 6 . 1 1 5 5 ASN N N 5 118.659 118.659 118.700 -0.041 25443 3256 1 6 . 1 1 5 5 ASN HA H 5 4.606 4.606 4.475 0.131 25443 3257 1 6 . 1 1 5 5 ASN C C 5 175.443 175.443 177.317 -1.874 25443 3258 1 6 . 1 1 5 5 ASN CA C 5 53.530 53.530 56.497 -2.967 25443 3259 1 6 . 1 1 5 5 ASN CB C 5 38.876 38.876 38.789 0.087 25443 3260 1 6 . 1 1 5 5 ASN H H 5 8.326 8.326 7.797 0.529 25443 3261 1 6 . 1 1 6 6 GLU N N 6 120.909 120.909 119.559 1.350 25443 3262 1 6 . 1 1 6 6 GLU HA H 6 4.097 4.097 4.029 0.068 25443 3263 1 6 . 1 1 6 6 GLU C C 6 176.261 176.261 177.863 -1.602 25443 3264 1 6 . 1 1 6 6 GLU CA C 6 57.171 57.171 58.027 -0.856 25443 3265 1 6 . 1 1 6 6 GLU CB C 6 29.715 29.715 29.959 -0.244 25443 3266 1 6 . 1 1 6 6 GLU H H 6 8.633 8.633 7.666 0.967 25443 3267 1 6 . 1 1 7 7 TYR N N 7 120.283 120.283 119.921 0.362 25443 3268 1 6 . 1 1 7 7 TYR HA H 7 4.440 4.440 4.610 -0.170 25443 3269 1 6 . 1 1 7 7 TYR C C 7 175.789 175.789 174.650 1.139 25443 3270 1 6 . 1 1 7 7 TYR CA C 7 58.061 58.061 56.376 1.685 25443 3271 1 6 . 1 1 7 7 TYR CB C 7 38.193 38.193 36.904 1.289 25443 3272 1 6 . 1 1 7 7 TYR H H 7 8.069 8.069 7.608 0.461 25443 3273 1 6 . 1 1 8 8 LYS N N 8 121.780 121.780 124.583 -2.803 25443 3274 1 6 . 1 1 8 8 LYS HA H 8 4.107 4.107 4.543 -0.436 25443 3275 1 6 . 1 1 8 8 LYS C C 8 175.970 175.970 176.357 -0.387 25443 3276 1 6 . 1 1 8 8 LYS CA C 8 56.550 56.550 56.498 0.051 25443 3277 1 6 . 1 1 8 8 LYS CB C 8 33.141 33.141 32.035 1.105 25443 3278 1 6 . 1 1 8 8 LYS H H 8 7.868 7.868 8.180 -0.312 25443 3279 1 6 . 1 1 9 9 ASP N N 9 119.825 119.825 124.352 -4.527 25443 3280 1 6 . 1 1 9 9 ASP HA H 9 4.577 4.577 4.615 -0.038 25443 3281 1 6 . 1 1 9 9 ASP C C 9 175.979 175.979 176.812 -0.833 25443 3282 1 6 . 1 1 9 9 ASP CA C 9 54.608 54.608 54.855 -0.247 25443 3283 1 6 . 1 1 9 9 ASP CB C 9 41.455 41.455 41.698 -0.243 25443 3284 1 6 . 1 1 9 9 ASP H H 9 8.164 8.164 8.431 -0.267 25443 3285 1 6 . 1 1 10 10 ASN N N 10 119.410 119.410 117.578 1.832 25443 3286 1 6 . 1 1 10 10 ASN HA H 10 4.935 4.935 4.943 -0.008 25443 3287 1 6 . 1 1 10 10 ASN C C 10 174.654 174.654 174.349 0.305 25443 3288 1 6 . 1 1 10 10 ASN CA C 10 52.792 52.792 53.429 -0.637 25443 3289 1 6 . 1 1 10 10 ASN CB C 10 38.554 38.554 38.506 0.048 25443 3290 1 6 . 1 1 10 10 ASN H H 10 8.284 8.284 8.459 -0.175 25443 3291 1 6 . 1 1 11 11 ALA N N 11 122.716 122.716 124.141 -1.425 25443 3292 1 6 . 1 1 11 11 ALA HA H 11 4.521 4.521 4.173 0.348 25443 3293 1 6 . 1 1 11 11 ALA CA C 11 53.148 53.148 52.119 1.029 25443 3294 1 6 . 1 1 11 11 ALA CB C 11 19.223 19.223 18.037 1.186 25443 3295 1 6 . 1 1 11 11 ALA H H 11 8.260 8.260 7.591 0.669 25443 3296 1 6 . 1 1 12 12 TYR HA H 12 4.943 4.943 5.267 -0.324 25443 3297 1 6 . 1 1 12 12 TYR C C 12 177.075 177.075 174.691 2.384 25443 3298 1 6 . 1 1 12 12 TYR CA C 12 57.314 57.314 56.828 0.486 25443 3299 1 6 . 1 1 12 12 TYR CB C 12 42.614 42.614 42.469 0.145 25443 3300 1 6 . 1 1 13 13 ILE N N 13 114.211 114.211 117.562 -3.351 25443 3301 1 6 . 1 1 13 13 ILE HA H 13 4.981 4.981 5.085 -0.104 25443 3302 1 6 . 1 1 13 13 ILE C C 13 174.500 174.500 174.221 0.279 25443 3303 1 6 . 1 1 13 13 ILE CA C 13 60.380 60.380 59.031 1.349 25443 3304 1 6 . 1 1 13 13 ILE CB C 13 39.792 39.792 41.368 -1.576 25443 3305 1 6 . 1 1 13 13 ILE H H 13 9.358 9.358 8.977 0.381 25443 3306 1 6 . 1 1 14 14 TYR N N 14 124.891 124.891 127.128 -2.237 25443 3307 1 6 . 1 1 14 14 TYR HA H 14 4.579 4.579 4.641 -0.062 25443 3308 1 6 . 1 1 14 14 TYR C C 14 173.192 173.192 174.243 -1.051 25443 3309 1 6 . 1 1 14 14 TYR CA C 14 56.202 56.202 57.380 -1.178 25443 3310 1 6 . 1 1 14 14 TYR CB C 14 40.163 40.163 39.824 0.339 25443 3311 1 6 . 1 1 14 14 TYR H H 14 9.163 9.163 8.583 0.580 25443 3312 1 6 . 1 1 15 15 ILE N N 15 127.801 127.801 127.617 0.184 25443 3313 1 6 . 1 1 15 15 ILE HA H 15 4.210 4.210 4.972 -0.762 25443 3314 1 6 . 1 1 15 15 ILE C C 15 173.823 173.823 175.676 -1.853 25443 3315 1 6 . 1 1 15 15 ILE CA C 15 59.616 59.616 59.498 0.118 25443 3316 1 6 . 1 1 15 15 ILE CB C 15 39.735 39.735 40.692 -0.957 25443 3317 1 6 . 1 1 15 15 ILE H H 15 8.569 8.569 8.469 0.100 25443 3318 1 6 . 1 1 16 16 GLY N N 16 112.441 112.441 113.016 -0.575 25443 3319 1 6 . 1 1 16 16 GLY C C 16 173.159 173.159 173.308 -0.149 25443 3320 1 6 . 1 1 16 16 GLY CA C 16 43.244 43.244 43.977 -0.733 25443 3321 1 6 . 1 1 16 16 GLY H H 16 9.354 9.354 7.949 1.405 25443 3322 1 6 . 1 1 17 17 ASN N N 17 114.797 114.797 118.325 -3.528 25443 3323 1 6 . 1 1 17 17 ASN HA H 17 4.347 4.347 4.545 -0.198 25443 3324 1 6 . 1 1 17 17 ASN C C 17 174.834 174.834 175.510 -0.676 25443 3325 1 6 . 1 1 17 17 ASN CA C 17 53.214 53.214 54.016 -0.802 25443 3326 1 6 . 1 1 17 17 ASN CB C 17 37.826 37.826 38.143 -0.317 25443 3327 1 6 . 1 1 17 17 ASN H H 17 8.552 8.552 8.420 0.132 25443 3328 1 6 . 1 1 18 18 LEU N N 18 114.526 114.526 123.368 -8.842 25443 3329 1 6 . 1 1 18 18 LEU HA H 18 3.994 3.994 4.515 -0.521 25443 3330 1 6 . 1 1 18 18 LEU C C 18 177.948 177.948 176.854 1.094 25443 3331 1 6 . 1 1 18 18 LEU CA C 18 53.772 53.772 53.781 -0.009 25443 3332 1 6 . 1 1 18 18 LEU CB C 18 42.385 42.385 43.515 -1.130 25443 3333 1 6 . 1 1 18 18 LEU H H 18 7.743 7.743 8.127 -0.384 25443 3334 1 6 . 1 1 19 19 ASN N N 19 122.718 122.718 118.230 4.488 25443 3335 1 6 . 1 1 19 19 ASN HA H 19 4.302 4.302 4.679 -0.377 25443 3336 1 6 . 1 1 19 19 ASN C C 19 178.040 178.040 176.843 1.197 25443 3337 1 6 . 1 1 19 19 ASN CA C 19 54.421 54.421 52.969 1.452 25443 3338 1 6 . 1 1 19 19 ASN CB C 19 38.580 38.580 39.751 -1.171 25443 3339 1 6 . 1 1 19 19 ASN H H 19 8.758 8.758 8.594 0.165 25443 3340 1 6 . 1 1 20 20 ARG N N 20 128.821 128.821 122.658 6.163 25443 3341 1 6 . 1 1 20 20 ARG HA H 20 3.790 3.790 4.037 -0.247 25443 3342 1 6 . 1 1 20 20 ARG C C 20 175.566 175.566 176.523 -0.957 25443 3343 1 6 . 1 1 20 20 ARG CA C 20 58.775 58.775 58.971 -0.196 25443 3344 1 6 . 1 1 20 20 ARG CB C 20 29.642 29.642 30.204 -0.562 25443 3345 1 6 . 1 1 20 20 ARG H H 20 8.997 8.997 8.773 0.224 25443 3346 1 6 . 1 1 21 21 GLU N N 21 117.438 117.438 116.799 0.639 25443 3347 1 6 . 1 1 21 21 GLU HA H 21 4.214 4.214 4.301 -0.087 25443 3348 1 6 . 1 1 21 21 GLU C C 21 177.076 177.076 176.084 0.992 25443 3349 1 6 . 1 1 21 21 GLU CA C 21 56.677 56.677 55.944 0.733 25443 3350 1 6 . 1 1 21 21 GLU CB C 21 30.451 30.451 29.320 1.131 25443 3351 1 6 . 1 1 21 21 GLU H H 21 9.043 9.043 8.377 0.666 25443 3352 1 6 . 1 1 22 22 LEU N N 22 116.311 116.311 121.970 -5.659 25443 3353 1 6 . 1 1 22 22 LEU HA H 22 4.491 4.491 4.374 0.117 25443 3354 1 6 . 1 1 22 22 LEU C C 22 178.389 178.389 175.586 2.803 25443 3355 1 6 . 1 1 22 22 LEU CA C 22 55.496 55.496 54.281 1.215 25443 3356 1 6 . 1 1 22 22 LEU CB C 22 42.148 42.148 43.440 -1.292 25443 3357 1 6 . 1 1 22 22 LEU H H 22 7.183 7.183 7.528 -0.345 25443 3358 1 6 . 1 1 23 23 THR N N 23 113.850 113.850 115.171 -1.321 25443 3359 1 6 . 1 1 23 23 THR HA H 23 4.289 4.289 4.721 -0.432 25443 3360 1 6 . 1 1 23 23 THR C C 23 175.229 175.229 175.750 -0.521 25443 3361 1 6 . 1 1 23 23 THR CA C 23 59.895 59.895 59.373 0.522 25443 3362 1 6 . 1 1 23 23 THR CB C 23 71.989 71.989 71.823 0.166 25443 3363 1 6 . 1 1 23 23 THR H H 23 8.743 8.743 9.149 -0.406 25443 3364 1 6 . 1 1 24 24 GLU N N 24 119.724 119.724 120.992 -1.268 25443 3365 1 6 . 1 1 24 24 GLU HA H 24 3.591 3.591 4.134 -0.543 25443 3366 1 6 . 1 1 24 24 GLU C C 24 178.597 178.597 178.907 -0.310 25443 3367 1 6 . 1 1 24 24 GLU CA C 24 63.490 63.490 60.537 2.953 25443 3368 1 6 . 1 1 24 24 GLU CB C 24 27.433 27.433 28.946 -1.513 25443 3369 1 6 . 1 1 24 24 GLU H H 24 9.641 9.641 9.028 0.613 25443 3370 1 6 . 1 1 25 25 GLY N N 25 104.430 104.430 108.012 -3.582 25443 3371 1 6 . 1 1 25 25 GLY C C 25 175.425 175.425 175.742 -0.317 25443 3372 1 6 . 1 1 25 25 GLY CA C 25 47.334 47.334 47.027 0.307 25443 3373 1 6 . 1 1 25 25 GLY H H 25 8.423 8.423 7.761 0.662 25443 3374 1 6 . 1 1 26 26 ASP N N 26 123.128 123.128 123.427 -0.299 25443 3375 1 6 . 1 1 26 26 ASP HA H 26 4.530 4.530 4.399 0.131 25443 3376 1 6 . 1 1 26 26 ASP C C 26 177.878 177.878 178.548 -0.670 25443 3377 1 6 . 1 1 26 26 ASP CA C 26 57.429 57.429 58.249 -0.820 25443 3378 1 6 . 1 1 26 26 ASP CB C 26 41.612 41.612 40.637 0.975 25443 3379 1 6 . 1 1 26 26 ASP H H 26 7.859 7.859 7.600 0.259 25443 3380 1 6 . 1 1 27 27 ILE N N 27 118.864 118.864 120.400 -1.536 25443 3381 1 6 . 1 1 27 27 ILE HA H 27 3.534 3.534 3.750 -0.216 25443 3382 1 6 . 1 1 27 27 ILE C C 27 178.225 178.225 177.987 0.238 25443 3383 1 6 . 1 1 27 27 ILE CA C 27 65.627 65.627 65.459 0.168 25443 3384 1 6 . 1 1 27 27 ILE CB C 27 37.614 37.614 37.955 -0.341 25443 3385 1 6 . 1 1 27 27 ILE H H 27 8.055 8.055 7.439 0.616 25443 3386 1 6 . 1 1 28 28 LEU N N 28 119.416 119.416 119.624 -0.208 25443 3387 1 6 . 1 1 28 28 LEU HA H 28 3.861 3.861 4.038 -0.177 25443 3388 1 6 . 1 1 28 28 LEU C C 28 179.884 179.884 179.451 0.433 25443 3389 1 6 . 1 1 28 28 LEU CA C 28 58.758 58.758 58.112 0.646 25443 3390 1 6 . 1 1 28 28 LEU CB C 28 41.137 41.137 41.347 -0.210 25443 3391 1 6 . 1 1 28 28 LEU H H 28 8.423 8.423 8.280 0.143 25443 3392 1 6 . 1 1 29 29 THR N N 29 119.586 119.586 115.693 3.893 25443 3393 1 6 . 1 1 29 29 THR HA H 29 3.790 3.790 3.921 -0.131 25443 3394 1 6 . 1 1 29 29 THR C C 29 176.530 176.530 176.333 0.197 25443 3395 1 6 . 1 1 29 29 THR CA C 29 67.322 67.322 66.943 0.379 25443 3396 1 6 . 1 1 29 29 THR CB C 29 68.372 68.372 68.534 -0.162 25443 3397 1 6 . 1 1 29 29 THR H H 29 8.552 8.552 7.889 0.663 25443 3398 1 6 . 1 1 30 30 VAL N N 30 119.948 119.948 119.748 0.200 25443 3399 1 6 . 1 1 30 30 VAL HA H 30 3.601 3.601 3.545 0.056 25443 3400 1 6 . 1 1 30 30 VAL C C 30 178.670 178.670 177.959 0.711 25443 3401 1 6 . 1 1 30 30 VAL CA C 30 66.081 66.081 65.713 0.368 25443 3402 1 6 . 1 1 30 30 VAL CB C 30 32.993 32.993 31.680 1.313 25443 3403 1 6 . 1 1 30 30 VAL H H 30 7.959 7.959 7.678 0.281 25443 3404 1 6 . 1 1 31 31 PHE N N 31 113.636 113.636 118.369 -4.733 25443 3405 1 6 . 1 1 31 31 PHE HA H 31 4.006 4.006 4.025 -0.019 25443 3406 1 6 . 1 1 31 31 PHE C C 31 180.133 180.133 177.533 2.600 25443 3407 1 6 . 1 1 31 31 PHE CA C 31 62.266 62.266 60.552 1.714 25443 3408 1 6 . 1 1 31 31 PHE CB C 31 37.711 37.711 38.442 -0.731 25443 3409 1 6 . 1 1 31 31 PHE H H 31 8.726 8.726 8.384 0.342 25443 3410 1 6 . 1 1 32 32 SER N N 32 119.746 119.746 115.641 4.105 25443 3411 1 6 . 1 1 32 32 SER HA H 32 5.107 5.107 4.188 0.919 25443 3412 1 6 . 1 1 32 32 SER C C 32 173.450 173.450 176.267 -2.817 25443 3413 1 6 . 1 1 32 32 SER CA C 32 61.440 61.440 61.195 0.245 25443 3414 1 6 . 1 1 32 32 SER CB C 32 62.690 62.690 62.565 0.125 25443 3415 1 6 . 1 1 32 32 SER H H 32 8.564 8.564 8.522 0.042 25443 3416 1 6 . 1 1 33 33 GLU N N 33 118.689 118.689 120.866 -2.177 25443 3417 1 6 . 1 1 33 33 GLU HA H 33 3.854 3.854 4.040 -0.186 25443 3418 1 6 . 1 1 33 33 GLU C C 33 176.471 176.471 177.161 -0.690 25443 3419 1 6 . 1 1 33 33 GLU CA C 33 57.997 57.997 57.728 0.269 25443 3420 1 6 . 1 1 33 33 GLU CB C 33 29.503 29.503 29.119 0.384 25443 3421 1 6 . 1 1 33 33 GLU H H 33 6.733 6.733 7.482 -0.749 25443 3422 1 6 . 1 1 34 34 TYR N N 34 111.313 111.313 118.005 -6.692 25443 3423 1 6 . 1 1 34 34 TYR HA H 34 4.469 4.469 4.532 -0.063 25443 3424 1 6 . 1 1 34 34 TYR C C 34 174.351 174.351 176.553 -2.202 25443 3425 1 6 . 1 1 34 34 TYR CA C 34 57.940 57.940 57.206 0.734 25443 3426 1 6 . 1 1 34 34 TYR CB C 34 39.557 39.557 38.185 1.372 25443 3427 1 6 . 1 1 34 34 TYR H H 34 6.662 6.662 7.527 -0.865 25443 3428 1 6 . 1 1 35 35 GLY N N 35 106.055 106.055 106.774 -0.719 25443 3429 1 6 . 1 1 35 35 GLY C C 35 170.709 170.709 173.396 -2.687 25443 3430 1 6 . 1 1 35 35 GLY CA C 35 45.230 45.230 45.072 0.158 25443 3431 1 6 . 1 1 35 35 GLY H H 35 7.302 7.302 7.918 -0.616 25443 3432 1 6 . 1 1 36 36 VAL N N 36 121.596 121.596 120.691 0.905 25443 3433 1 6 . 1 1 36 36 VAL HA H 36 4.492 4.492 4.626 -0.134 25443 3434 1 6 . 1 1 36 36 VAL CA C 36 59.912 59.912 59.408 0.504 25443 3435 1 6 . 1 1 36 36 VAL CB C 36 33.632 33.632 35.142 -1.510 25443 3436 1 6 . 1 1 36 36 VAL H H 36 8.595 8.595 7.732 0.863 25443 3437 1 6 . 1 1 37 37 PRO HA H 37 4.499 4.499 4.779 -0.280 25443 3438 1 6 . 1 1 37 37 PRO C C 37 176.150 176.150 175.922 0.228 25443 3439 1 6 . 1 1 37 37 PRO CA C 37 62.320 62.320 62.372 -0.052 25443 3440 1 6 . 1 1 37 37 PRO CB C 37 31.945 31.945 31.707 0.238 25443 3441 1 6 . 1 1 38 38 VAL N N 38 114.135 114.135 123.670 -9.535 25443 3442 1 6 . 1 1 38 38 VAL HA H 38 4.436 4.436 4.342 0.094 25443 3443 1 6 . 1 1 38 38 VAL C C 38 175.124 175.124 175.890 -0.766 25443 3444 1 6 . 1 1 38 38 VAL CA C 38 60.488 60.488 60.128 0.360 25443 3445 1 6 . 1 1 38 38 VAL CB C 38 32.560 32.560 32.947 -0.387 25443 3446 1 6 . 1 1 38 38 VAL H H 38 9.006 9.006 8.143 0.863 25443 3447 1 6 . 1 1 39 39 ASP N N 39 118.095 118.095 120.414 -2.319 25443 3448 1 6 . 1 1 39 39 ASP HA H 39 4.626 4.626 4.559 0.067 25443 3449 1 6 . 1 1 39 39 ASP C C 39 174.577 174.577 174.665 -0.088 25443 3450 1 6 . 1 1 39 39 ASP CA C 39 54.706 54.706 55.119 -0.413 25443 3451 1 6 . 1 1 39 39 ASP CB C 39 43.495 43.495 42.444 1.051 25443 3452 1 6 . 1 1 39 39 ASP H H 39 7.454 7.454 8.094 -0.640 25443 3453 1 6 . 1 1 40 40 VAL N N 40 121.566 121.566 123.385 -1.819 25443 3454 1 6 . 1 1 40 40 VAL HA H 40 4.897 4.897 4.628 0.269 25443 3455 1 6 . 1 1 40 40 VAL C C 40 170.928 170.928 173.811 -2.883 25443 3456 1 6 . 1 1 40 40 VAL CA C 40 60.729 60.729 60.380 0.349 25443 3457 1 6 . 1 1 40 40 VAL CB C 40 34.373 34.373 34.579 -0.206 25443 3458 1 6 . 1 1 40 40 VAL H H 40 7.576 7.576 8.158 -0.582 25443 3459 1 6 . 1 1 41 41 ILE N N 41 125.247 125.247 128.617 -3.370 25443 3460 1 6 . 1 1 41 41 ILE HA H 41 4.752 4.752 4.285 0.467 25443 3461 1 6 . 1 1 41 41 ILE C C 41 175.440 175.440 173.901 1.539 25443 3462 1 6 . 1 1 41 41 ILE CA C 41 61.609 61.609 60.118 1.490 25443 3463 1 6 . 1 1 41 41 ILE H H 41 8.929 8.929 9.219 -0.290 25443 3464 1 6 . 1 1 42 42 LEU N N 42 128.791 128.791 128.080 0.711 25443 3465 1 6 . 1 1 42 42 LEU HA H 42 4.387 4.387 4.975 -0.588 25443 3466 1 6 . 1 1 42 42 LEU C C 42 174.979 174.979 175.614 -0.635 25443 3467 1 6 . 1 1 42 42 LEU CA C 42 53.345 53.345 53.111 0.234 25443 3468 1 6 . 1 1 42 42 LEU CB C 42 43.298 43.298 46.295 -2.997 25443 3469 1 6 . 1 1 42 42 LEU H H 42 8.309 8.309 8.372 -0.063 25443 3470 1 6 . 1 1 43 43 SER N N 43 122.753 122.753 120.725 2.028 25443 3471 1 6 . 1 1 43 43 SER HA H 43 3.821 3.821 4.494 -0.673 25443 3472 1 6 . 1 1 43 43 SER C C 43 173.870 173.870 173.942 -0.072 25443 3473 1 6 . 1 1 43 43 SER CA C 43 59.707 59.707 58.251 1.456 25443 3474 1 6 . 1 1 43 43 SER CB C 43 62.714 62.714 64.226 -1.512 25443 3475 1 6 . 1 1 43 43 SER H H 43 8.317 8.317 8.812 -0.495 25443 3476 1 6 . 1 1 44 44 ARG N N 44 128.068 128.068 124.984 3.084 25443 3477 1 6 . 1 1 44 44 ARG HA H 44 4.763 4.763 5.066 -0.303 25443 3478 1 6 . 1 1 44 44 ARG C C 44 175.094 175.094 175.779 -0.685 25443 3479 1 6 . 1 1 44 44 ARG CA C 44 54.100 54.100 54.634 -0.534 25443 3480 1 6 . 1 1 44 44 ARG CB C 44 34.218 34.218 33.922 0.296 25443 3481 1 6 . 1 1 44 44 ARG H H 44 8.152 8.152 8.413 -0.261 25443 3482 1 6 . 1 1 45 45 ASP N N 45 123.595 123.595 123.984 -0.389 25443 3483 1 6 . 1 1 45 45 ASP HA H 45 4.172 4.172 4.654 -0.482 25443 3484 1 6 . 1 1 45 45 ASP C C 45 177.467 177.467 177.104 0.363 25443 3485 1 6 . 1 1 45 45 ASP CA C 45 54.898 54.898 54.230 0.668 25443 3486 1 6 . 1 1 45 45 ASP CB C 45 43.568 43.568 43.177 0.391 25443 3487 1 6 . 1 1 45 45 ASP H H 45 8.628 8.628 9.022 -0.394 25443 3488 1 6 . 1 1 46 46 GLU N N 46 125.161 125.161 123.816 1.345 25443 3489 1 6 . 1 1 46 46 GLU HA H 46 3.843 3.843 4.230 -0.387 25443 3490 1 6 . 1 1 46 46 GLU C C 46 175.690 175.690 177.303 -1.613 25443 3491 1 6 . 1 1 46 46 GLU CA C 46 58.861 58.861 58.325 0.536 25443 3492 1 6 . 1 1 46 46 GLU CB C 46 29.636 29.636 29.723 -0.087 25443 3493 1 6 . 1 1 46 46 GLU H H 46 9.013 9.013 8.893 0.120 25443 3494 1 6 . 1 1 47 47 ASN N N 47 115.135 115.135 117.648 -2.513 25443 3495 1 6 . 1 1 47 47 ASN HA H 47 4.842 4.842 4.569 0.273 25443 3496 1 6 . 1 1 47 47 ASN C C 47 176.655 176.655 176.674 -0.019 25443 3497 1 6 . 1 1 47 47 ASN CA C 47 54.897 54.897 55.581 -0.684 25443 3498 1 6 . 1 1 47 47 ASN CB C 47 40.141 40.141 39.013 1.128 25443 3499 1 6 . 1 1 47 47 ASN H H 47 8.926 8.926 8.535 0.391 25443 3500 1 6 . 1 1 48 48 THR N N 48 107.544 107.544 112.369 -4.825 25443 3501 1 6 . 1 1 48 48 THR HA H 48 4.400 4.400 4.468 -0.068 25443 3502 1 6 . 1 1 48 48 THR C C 48 176.484 176.484 174.771 1.713 25443 3503 1 6 . 1 1 48 48 THR CA C 48 61.513 61.513 62.493 -0.980 25443 3504 1 6 . 1 1 48 48 THR CB C 48 71.189 71.189 70.401 0.788 25443 3505 1 6 . 1 1 48 48 THR H H 48 8.455 8.455 8.763 -0.308 25443 3506 1 6 . 1 1 49 49 GLY N N 49 111.753 111.753 111.625 0.128 25443 3507 1 6 . 1 1 49 49 GLY C C 49 173.167 173.167 173.493 -0.326 25443 3508 1 6 . 1 1 49 49 GLY CA C 49 45.628 45.628 44.582 1.046 25443 3509 1 6 . 1 1 49 49 GLY H H 49 8.607 8.607 8.125 0.482 25443 3510 1 6 . 1 1 50 50 GLU N N 50 119.978 119.978 120.207 -0.229 25443 3511 1 6 . 1 1 50 50 GLU HA H 50 4.071 4.071 4.623 -0.552 25443 3512 1 6 . 1 1 50 50 GLU C C 50 176.629 176.629 175.598 1.031 25443 3513 1 6 . 1 1 50 50 GLU CA C 50 56.500 56.500 54.597 1.903 25443 3514 1 6 . 1 1 50 50 GLU CB C 50 30.927 30.927 31.996 -1.069 25443 3515 1 6 . 1 1 50 50 GLU H H 50 7.796 7.796 7.762 0.034 25443 3516 1 6 . 1 1 51 51 SER N N 51 115.672 115.672 115.206 0.466 25443 3517 1 6 . 1 1 51 51 SER HA H 51 4.205 4.205 4.611 -0.406 25443 3518 1 6 . 1 1 51 51 SER C C 51 176.532 176.532 175.231 1.301 25443 3519 1 6 . 1 1 51 51 SER CA C 51 58.320 58.320 58.456 -0.136 25443 3520 1 6 . 1 1 51 51 SER CB C 51 64.596 64.596 63.691 0.905 25443 3521 1 6 . 1 1 51 51 SER H H 51 8.889 8.889 8.850 0.039 25443 3522 1 6 . 1 1 52 52 GLN N N 52 123.139 123.139 127.816 -4.677 25443 3523 1 6 . 1 1 52 52 GLN HA H 52 4.421 4.421 4.174 0.247 25443 3524 1 6 . 1 1 52 52 GLN C C 52 177.396 177.396 176.056 1.340 25443 3525 1 6 . 1 1 52 52 GLN CA C 52 55.051 55.051 55.231 -0.180 25443 3526 1 6 . 1 1 52 52 GLN CB C 52 29.874 29.874 29.288 0.586 25443 3527 1 6 . 1 1 52 52 GLN H H 52 9.078 9.078 8.561 0.517 25443 3528 1 6 . 1 1 53 53 GLY N N 53 105.904 105.904 104.948 0.956 25443 3529 1 6 . 1 1 53 53 GLY C C 53 172.046 172.046 173.447 -1.401 25443 3530 1 6 . 1 1 53 53 GLY CA C 53 46.550 46.550 44.608 1.942 25443 3531 1 6 . 1 1 53 53 GLY H H 53 8.851 8.851 7.375 1.476 25443 3532 1 6 . 1 1 54 54 PHE N N 54 111.888 111.888 120.019 -8.131 25443 3533 1 6 . 1 1 54 54 PHE HA H 54 5.253 5.253 4.856 0.397 25443 3534 1 6 . 1 1 54 54 PHE C C 54 171.570 171.570 173.837 -2.267 25443 3535 1 6 . 1 1 54 54 PHE CA C 54 55.592 55.592 54.480 1.112 25443 3536 1 6 . 1 1 54 54 PHE CB C 54 40.806 40.806 40.506 0.300 25443 3537 1 6 . 1 1 54 54 PHE H H 54 6.827 6.827 7.519 -0.692 25443 3538 1 6 . 1 1 55 55 ALA N N 55 121.888 121.888 125.280 -3.392 25443 3539 1 6 . 1 1 55 55 ALA HA H 55 5.032 5.032 5.005 0.027 25443 3540 1 6 . 1 1 55 55 ALA C C 55 172.957 172.957 174.638 -1.681 25443 3541 1 6 . 1 1 55 55 ALA CA C 55 49.477 49.477 50.527 -1.050 25443 3542 1 6 . 1 1 55 55 ALA H H 55 8.927 8.927 8.281 0.646 25443 3543 1 6 . 1 1 56 56 TYR N N 56 115.049 115.049 119.988 -4.939 25443 3544 1 6 . 1 1 56 56 TYR HA H 56 5.602 5.602 5.610 -0.008 25443 3545 1 6 . 1 1 56 56 TYR C C 56 175.162 175.162 174.255 0.907 25443 3546 1 6 . 1 1 56 56 TYR CA C 56 55.444 55.444 56.348 -0.904 25443 3547 1 6 . 1 1 56 56 TYR CB C 56 42.189 42.189 41.792 0.397 25443 3548 1 6 . 1 1 56 56 TYR H H 56 9.020 9.020 9.203 -0.183 25443 3549 1 6 . 1 1 57 57 LEU N N 57 122.745 122.745 124.106 -1.361 25443 3550 1 6 . 1 1 57 57 LEU HA H 57 4.713 4.713 4.892 -0.179 25443 3551 1 6 . 1 1 57 57 LEU C C 57 172.371 172.371 174.581 -2.210 25443 3552 1 6 . 1 1 57 57 LEU CA C 57 54.712 54.712 53.633 1.079 25443 3553 1 6 . 1 1 57 57 LEU CB C 57 46.754 46.754 46.066 0.688 25443 3554 1 6 . 1 1 57 57 LEU H H 57 8.706 8.706 8.607 0.099 25443 3555 1 6 . 1 1 58 58 LYS N N 58 125.469 125.469 125.823 -0.354 25443 3556 1 6 . 1 1 58 58 LYS HA H 58 4.467 4.467 4.636 -0.169 25443 3557 1 6 . 1 1 58 58 LYS C C 58 175.152 175.152 174.013 1.139 25443 3558 1 6 . 1 1 58 58 LYS CA C 58 54.494 54.494 54.385 0.109 25443 3559 1 6 . 1 1 58 58 LYS CB C 58 36.479 36.479 35.136 1.343 25443 3560 1 6 . 1 1 58 58 LYS H H 58 7.948 7.948 8.905 -0.957 25443 3561 1 6 . 1 1 59 59 TYR N N 59 126.261 126.261 120.906 5.355 25443 3562 1 6 . 1 1 59 59 TYR HA H 59 5.003 5.003 4.658 0.345 25443 3563 1 6 . 1 1 59 59 TYR C C 59 176.020 176.020 174.204 1.816 25443 3564 1 6 . 1 1 59 59 TYR CA C 59 57.992 57.992 55.279 2.712 25443 3565 1 6 . 1 1 59 59 TYR CB C 59 41.715 41.715 40.541 1.173 25443 3566 1 6 . 1 1 59 59 TYR H H 59 8.957 8.957 7.818 1.139 25443 3567 1 6 . 1 1 60 60 GLU N N 60 120.342 120.342 122.873 -2.531 25443 3568 1 6 . 1 1 60 60 GLU HA H 60 3.839 3.839 4.540 -0.701 25443 3569 1 6 . 1 1 60 60 GLU C C 60 175.346 175.346 175.635 -0.289 25443 3570 1 6 . 1 1 60 60 GLU CA C 60 59.057 59.057 56.060 2.997 25443 3571 1 6 . 1 1 60 60 GLU CB C 60 30.653 30.653 30.000 0.653 25443 3572 1 6 . 1 1 60 60 GLU H H 60 8.845 8.845 8.746 0.099 25443 3573 1 6 . 1 1 61 61 ASP N N 61 116.193 116.193 123.629 -7.436 25443 3574 1 6 . 1 1 61 61 ASP HA H 61 4.915 4.915 4.616 0.299 25443 3575 1 6 . 1 1 61 61 ASP C C 61 176.659 176.659 175.546 1.113 25443 3576 1 6 . 1 1 61 61 ASP CA C 61 51.856 51.856 54.609 -2.753 25443 3577 1 6 . 1 1 61 61 ASP CB C 61 43.726 43.726 41.946 1.780 25443 3578 1 6 . 1 1 61 61 ASP H H 61 7.922 7.922 8.133 -0.211 25443 3579 1 6 . 1 1 62 62 GLN N N 62 125.812 125.812 123.038 2.774 25443 3580 1 6 . 1 1 62 62 GLN HA H 62 4.221 4.221 4.134 0.087 25443 3581 1 6 . 1 1 62 62 GLN C C 62 178.430 178.430 177.379 1.051 25443 3582 1 6 . 1 1 62 62 GLN CA C 62 58.449 58.449 58.983 -0.534 25443 3583 1 6 . 1 1 62 62 GLN CB C 62 28.076 28.076 28.930 -0.854 25443 3584 1 6 . 1 1 62 62 GLN H H 62 8.964 8.964 8.689 0.275 25443 3585 1 6 . 1 1 63 63 ARG N N 63 120.943 120.943 119.678 1.265 25443 3586 1 6 . 1 1 63 63 ARG HA H 63 3.979 3.979 4.026 -0.046 25443 3587 1 6 . 1 1 63 63 ARG C C 63 179.350 179.350 178.827 0.523 25443 3588 1 6 . 1 1 63 63 ARG CA C 63 59.398 59.398 59.639 -0.241 25443 3589 1 6 . 1 1 63 63 ARG CB C 63 29.466 29.466 30.036 -0.570 25443 3590 1 6 . 1 1 63 63 ARG H H 63 8.965 8.965 8.601 0.364 25443 3591 1 6 . 1 1 64 64 SER N N 64 115.358 115.358 114.502 0.856 25443 3592 1 6 . 1 1 64 64 SER HA H 64 3.898 3.898 4.076 -0.178 25443 3593 1 6 . 1 1 64 64 SER C C 64 174.444 174.444 175.926 -1.482 25443 3594 1 6 . 1 1 64 64 SER CA C 64 62.459 62.459 62.077 0.382 25443 3595 1 6 . 1 1 64 64 SER CB C 64 62.040 62.040 62.419 -0.379 25443 3596 1 6 . 1 1 64 64 SER H H 64 8.065 8.065 9.379 -1.314 25443 3597 1 6 . 1 1 65 65 THR N N 65 113.614 113.614 115.921 -2.307 25443 3598 1 6 . 1 1 65 65 THR HA H 65 3.751 3.751 4.605 -0.854 25443 3599 1 6 . 1 1 65 65 THR C C 65 175.357 175.357 177.086 -1.729 25443 3600 1 6 . 1 1 65 65 THR CA C 65 66.292 66.292 65.246 1.046 25443 3601 1 6 . 1 1 65 65 THR CB C 65 68.457 68.457 68.749 -0.292 25443 3602 1 6 . 1 1 65 65 THR H H 65 7.484 7.484 7.718 -0.234 25443 3603 1 6 . 1 1 66 66 ILE N N 66 120.736 120.736 122.699 -1.963 25443 3604 1 6 . 1 1 66 66 ILE HA H 66 3.653 3.653 3.917 -0.264 25443 3605 1 6 . 1 1 66 66 ILE C C 66 177.518 177.518 177.246 0.272 25443 3606 1 6 . 1 1 66 66 ILE CA C 66 64.014 64.014 64.645 -0.631 25443 3607 1 6 . 1 1 66 66 ILE CB C 66 42.194 42.194 37.764 4.430 25443 3608 1 6 . 1 1 66 66 ILE H H 66 6.976 6.976 7.493 -0.517 25443 3609 1 6 . 1 1 67 67 LEU N N 67 117.584 117.584 122.334 -4.750 25443 3610 1 6 . 1 1 67 67 LEU HA H 67 3.921 3.921 3.895 0.026 25443 3611 1 6 . 1 1 67 67 LEU C C 67 179.650 179.650 177.725 1.925 25443 3612 1 6 . 1 1 67 67 LEU CA C 67 57.452 57.452 58.096 -0.644 25443 3613 1 6 . 1 1 67 67 LEU CB C 67 42.172 42.172 41.303 0.869 25443 3614 1 6 . 1 1 67 67 LEU H H 67 7.006 7.006 8.143 -1.137 25443 3615 1 6 . 1 1 68 68 ALA N N 68 121.025 121.025 120.277 0.748 25443 3616 1 6 . 1 1 68 68 ALA HA H 68 3.285 3.285 3.836 -0.551 25443 3617 1 6 . 1 1 68 68 ALA C C 68 179.216 179.216 179.763 -0.547 25443 3618 1 6 . 1 1 68 68 ALA CA C 68 55.564 55.564 55.097 0.467 25443 3619 1 6 . 1 1 68 68 ALA CB C 68 18.852 18.852 18.276 0.576 25443 3620 1 6 . 1 1 68 68 ALA H H 68 8.121 8.121 8.237 -0.116 25443 3621 1 6 . 1 1 69 69 VAL N N 69 117.799 117.799 118.728 -0.929 25443 3622 1 6 . 1 1 69 69 VAL HA H 69 3.243 3.243 3.662 -0.419 25443 3623 1 6 . 1 1 69 69 VAL C C 69 178.541 178.541 177.900 0.641 25443 3624 1 6 . 1 1 69 69 VAL CA C 69 67.237 67.237 67.662 -0.425 25443 3625 1 6 . 1 1 69 69 VAL CB C 69 31.679 31.679 31.877 -0.198 25443 3626 1 6 . 1 1 69 69 VAL H H 69 8.012 8.012 7.606 0.406 25443 3627 1 6 . 1 1 70 70 ASP N N 70 117.013 117.013 118.701 -1.688 25443 3628 1 6 . 1 1 70 70 ASP HA H 70 4.339 4.339 4.348 -0.009 25443 3629 1 6 . 1 1 70 70 ASP C C 70 178.330 178.330 178.358 -0.028 25443 3630 1 6 . 1 1 70 70 ASP CA C 70 57.131 57.131 57.072 0.059 25443 3631 1 6 . 1 1 70 70 ASP CB C 70 40.465 40.465 40.945 -0.480 25443 3632 1 6 . 1 1 70 70 ASP H H 70 8.216 8.216 8.243 -0.027 25443 3633 1 6 . 1 1 71 71 ASN N N 71 112.777 112.777 117.063 -4.286 25443 3634 1 6 . 1 1 71 71 ASN HA H 71 4.587 4.587 4.653 -0.066 25443 3635 1 6 . 1 1 71 71 ASN C C 71 176.314 176.314 177.289 -0.975 25443 3636 1 6 . 1 1 71 71 ASN CA C 71 55.474 55.474 55.565 -0.091 25443 3637 1 6 . 1 1 71 71 ASN CB C 71 40.592 40.592 39.147 1.445 25443 3638 1 6 . 1 1 71 71 ASN H H 71 7.582 7.582 8.272 -0.690 25443 3639 1 6 . 1 1 72 72 LEU N N 72 116.551 116.551 118.255 -1.704 25443 3640 1 6 . 1 1 72 72 LEU HA H 72 4.494 4.494 4.386 0.108 25443 3641 1 6 . 1 1 72 72 LEU C C 72 177.500 177.500 176.664 0.836 25443 3642 1 6 . 1 1 72 72 LEU CA C 72 54.590 54.590 54.845 -0.255 25443 3643 1 6 . 1 1 72 72 LEU CB C 72 42.862 42.862 42.345 0.517 25443 3644 1 6 . 1 1 72 72 LEU H H 72 8.201 8.201 7.857 0.344 25443 3645 1 6 . 1 1 73 73 ASN N N 73 118.974 118.974 119.094 -0.120 25443 3646 1 6 . 1 1 73 73 ASN HA H 73 4.392 4.392 4.630 -0.238 25443 3647 1 6 . 1 1 73 73 ASN C C 73 177.151 177.151 176.677 0.474 25443 3648 1 6 . 1 1 73 73 ASN CA C 73 56.276 56.276 55.451 0.825 25443 3649 1 6 . 1 1 73 73 ASN CB C 73 38.853 38.853 38.139 0.714 25443 3650 1 6 . 1 1 73 73 ASN H H 73 7.406 7.406 7.991 -0.585 25443 3651 1 6 . 1 1 74 74 GLY N N 74 116.478 116.478 114.559 1.919 25443 3652 1 6 . 1 1 74 74 GLY C C 74 172.756 172.756 173.855 -1.099 25443 3653 1 6 . 1 1 74 74 GLY CA C 74 45.662 45.662 45.257 0.405 25443 3654 1 6 . 1 1 74 74 GLY H H 74 9.106 9.106 9.019 0.087 25443 3655 1 6 . 1 1 75 75 PHE N N 75 123.853 123.853 121.810 2.043 25443 3656 1 6 . 1 1 75 75 PHE HA H 75 4.328 4.328 4.435 -0.107 25443 3657 1 6 . 1 1 75 75 PHE C C 75 175.065 175.065 174.868 0.197 25443 3658 1 6 . 1 1 75 75 PHE CA C 75 58.371 58.371 58.325 0.046 25443 3659 1 6 . 1 1 75 75 PHE CB C 75 40.947 40.947 40.320 0.627 25443 3660 1 6 . 1 1 75 75 PHE H H 75 8.074 8.074 7.933 0.141 25443 3661 1 6 . 1 1 76 76 LYS N N 76 126.700 126.700 127.578 -0.878 25443 3662 1 6 . 1 1 76 76 LYS HA H 76 4.536 4.536 4.755 -0.219 25443 3663 1 6 . 1 1 76 76 LYS C C 76 175.395 175.395 175.873 -0.478 25443 3664 1 6 . 1 1 76 76 LYS CA C 76 56.227 56.227 55.397 0.830 25443 3665 1 6 . 1 1 76 76 LYS CB C 76 32.969 32.969 31.666 1.303 25443 3666 1 6 . 1 1 76 76 LYS H H 76 7.766 7.766 7.935 -0.169 25443 3667 1 6 . 1 1 77 77 ILE N N 77 120.686 120.686 126.202 -5.516 25443 3668 1 6 . 1 1 77 77 ILE HA H 77 4.231 4.231 4.295 -0.064 25443 3669 1 6 . 1 1 77 77 ILE C C 77 177.605 177.605 176.657 0.948 25443 3670 1 6 . 1 1 77 77 ILE CA C 77 59.981 59.981 59.726 0.255 25443 3671 1 6 . 1 1 77 77 ILE CB C 77 40.409 40.409 37.644 2.765 25443 3672 1 6 . 1 1 77 77 ILE H H 77 8.005 8.005 9.002 -0.997 25443 3673 1 6 . 1 1 78 78 GLY N N 78 118.352 118.352 116.324 2.028 25443 3674 1 6 . 1 1 78 78 GLY C C 78 175.639 175.639 175.250 0.389 25443 3675 1 6 . 1 1 78 78 GLY CA C 78 47.227 47.227 45.495 1.732 25443 3676 1 6 . 1 1 78 78 GLY H H 78 9.800 9.800 9.183 0.617 25443 3677 1 6 . 1 1 79 79 GLY N N 79 104.167 104.167 103.979 0.188 25443 3678 1 6 . 1 1 79 79 GLY C C 79 173.371 173.371 174.486 -1.115 25443 3679 1 6 . 1 1 79 79 GLY CA C 79 45.037 45.037 44.720 0.317 25443 3680 1 6 . 1 1 79 79 GLY H H 79 8.795 8.795 8.306 0.489 25443 3681 1 6 . 1 1 80 80 ARG N N 80 119.090 119.090 121.674 -2.584 25443 3682 1 6 . 1 1 80 80 ARG HA H 80 4.590 4.590 4.621 -0.031 25443 3683 1 6 . 1 1 80 80 ARG C C 80 174.563 174.563 174.618 -0.055 25443 3684 1 6 . 1 1 80 80 ARG CA C 80 54.615 54.615 54.094 0.521 25443 3685 1 6 . 1 1 80 80 ARG CB C 80 33.487 33.487 31.943 1.544 25443 3686 1 6 . 1 1 80 80 ARG H H 80 7.281 7.281 7.529 -0.248 25443 3687 1 6 . 1 1 81 81 ALA N N 81 126.039 126.039 125.607 0.432 25443 3688 1 6 . 1 1 81 81 ALA HA H 81 4.216 4.216 5.151 -0.935 25443 3689 1 6 . 1 1 81 81 ALA C C 81 177.149 177.149 177.012 0.137 25443 3690 1 6 . 1 1 81 81 ALA CA C 81 51.081 51.081 50.955 0.127 25443 3691 1 6 . 1 1 81 81 ALA CB C 81 19.226 19.226 19.859 -0.633 25443 3692 1 6 . 1 1 81 81 ALA H H 81 8.651 8.651 8.444 0.207 25443 3693 1 6 . 1 1 82 82 LEU N N 82 125.451 125.451 124.983 0.468 25443 3694 1 6 . 1 1 82 82 LEU HA H 82 4.390 4.390 4.492 -0.102 25443 3695 1 6 . 1 1 82 82 LEU C C 82 177.498 177.498 176.415 1.083 25443 3696 1 6 . 1 1 82 82 LEU CA C 82 56.065 56.065 54.311 1.754 25443 3697 1 6 . 1 1 82 82 LEU CB C 82 43.267 43.267 43.137 0.130 25443 3698 1 6 . 1 1 82 82 LEU H H 82 8.805 8.805 8.650 0.155 25443 3699 1 6 . 1 1 83 83 LYS N N 83 123.253 123.253 125.145 -1.892 25443 3700 1 6 . 1 1 83 83 LYS C C 83 174.892 174.892 174.608 0.284 25443 3701 1 6 . 1 1 83 83 LYS CA C 83 54.892 54.892 55.392 -0.500 25443 3702 1 6 . 1 1 83 83 LYS H H 83 7.768 7.768 8.735 -0.967 25443 3703 1 6 . 1 1 84 84 ILE N N 84 125.577 125.577 126.770 -1.193 25443 3704 1 6 . 1 1 84 84 ILE HA H 84 5.581 5.581 5.205 0.376 25443 3705 1 6 . 1 1 84 84 ILE C C 84 174.901 174.901 175.831 -0.930 25443 3706 1 6 . 1 1 84 84 ILE CA C 84 58.803 58.803 58.679 0.124 25443 3707 1 6 . 1 1 84 84 ILE CB C 84 40.306 40.306 38.138 2.168 25443 3708 1 6 . 1 1 84 84 ILE H H 84 8.616 8.616 8.580 0.036 25443 3709 1 6 . 1 1 85 85 ASP N N 85 125.373 125.373 126.789 -1.416 25443 3710 1 6 . 1 1 85 85 ASP HA H 85 4.909 4.909 5.013 -0.104 25443 3711 1 6 . 1 1 85 85 ASP C C 85 174.826 174.826 174.440 0.386 25443 3712 1 6 . 1 1 85 85 ASP CA C 85 52.372 52.372 52.448 -0.076 25443 3713 1 6 . 1 1 85 85 ASP CB C 85 45.290 45.290 45.011 0.279 25443 3714 1 6 . 1 1 85 85 ASP H H 85 8.907 8.907 9.067 -0.160 25443 3715 1 6 . 1 1 86 86 HIS N N 86 121.396 121.396 119.070 2.326 25443 3716 1 6 . 1 1 86 86 HIS CA C 86 57.540 57.540 55.567 1.973 25443 3717 1 6 . 1 1 86 86 HIS CB C 86 30.985 30.985 32.051 -1.066 25443 3718 1 6 . 1 1 86 86 HIS H H 86 8.970 8.970 8.672 0.298 25443 3719 1 6 . 1 1 87 87 THR N N 87 116.761 116.761 118.213 -1.452 25443 3720 1 6 . 1 1 87 87 THR HA H 87 4.652 4.652 4.674 -0.022 25443 3721 1 6 . 1 1 87 87 THR C C 87 171.272 171.272 172.892 -1.620 25443 3722 1 6 . 1 1 87 87 THR CA C 87 60.710 60.710 60.352 0.358 25443 3723 1 6 . 1 1 87 87 THR CB C 87 69.764 69.764 70.428 -0.664 25443 3724 1 6 . 1 1 87 87 THR H H 87 8.557 8.557 8.427 0.130 25443 3725 1 6 . 1 1 88 88 PHE N N 88 120.343 120.343 121.706 -1.363 25443 3726 1 6 . 1 1 88 88 PHE HA H 88 5.273 5.273 5.077 0.196 25443 3727 1 6 . 1 1 88 88 PHE C C 88 174.288 174.288 173.387 0.901 25443 3728 1 6 . 1 1 88 88 PHE CA C 88 55.959 55.959 56.226 -0.267 25443 3729 1 6 . 1 1 88 88 PHE CB C 88 41.079 41.079 40.014 1.065 25443 3730 1 6 . 1 1 88 88 PHE H H 88 8.114 8.114 8.296 -0.182 25443 3731 1 6 . 1 1 89 89 TYR N N 89 123.043 123.043 125.708 -2.665 25443 3732 1 6 . 1 1 89 89 TYR HA H 89 4.026 4.026 4.294 -0.268 25443 3733 1 6 . 1 1 89 89 TYR C C 89 173.155 173.155 174.015 -0.860 25443 3734 1 6 . 1 1 89 89 TYR CA C 89 57.493 57.493 56.970 0.523 25443 3735 1 6 . 1 1 89 89 TYR CB C 89 39.829 39.829 41.989 -2.160 25443 3736 1 6 . 1 1 89 89 TYR H H 89 8.176 8.176 7.968 0.208 25443 3737 1 6 . 1 1 90 90 ARG N N 90 129.004 129.004 125.332 3.672 25443 3738 1 6 . 1 1 90 90 ARG HA H 90 4.398 4.398 4.493 -0.095 25443 3739 1 6 . 1 1 90 90 ARG CA C 90 51.548 51.548 52.527 -0.979 25443 3740 1 6 . 1 1 90 90 ARG CB C 90 30.882 30.882 30.995 -0.113 25443 3741 1 6 . 1 1 90 90 ARG H H 90 7.078 7.078 7.528 -0.450 25443 3742 1 6 . 1 1 91 91 PRO HA H 91 4.155 4.155 4.371 -0.216 25443 3743 1 6 . 1 1 91 91 PRO C C 91 176.340 176.340 175.896 0.444 25443 3744 1 6 . 1 1 91 91 PRO CA C 91 62.454 62.454 63.040 -0.586 25443 3745 1 6 . 1 1 91 91 PRO CB C 91 33.072 33.072 31.540 1.532 25443 3746 1 6 . 1 1 92 92 LYS N N 92 119.682 119.682 124.232 -4.550 25443 3747 1 6 . 1 1 92 92 LYS CA C 92 54.711 54.711 55.130 -0.419 25443 3748 1 6 . 1 1 92 92 LYS H H 92 8.644 8.644 8.208 0.436 25443 3749 1 6 . 1 1 93 93 ARG C C 93 178.899 178.899 177.687 1.212 25443 3750 1 6 . 1 1 93 93 ARG CA C 93 59.125 59.125 57.948 1.177 25443 3751 1 6 . 1 1 94 94 SER N N 94 112.166 112.166 115.735 -3.569 25443 3752 1 6 . 1 1 94 94 SER HA H 94 4.176 4.176 4.307 -0.131 25443 3753 1 6 . 1 1 94 94 SER C C 94 175.776 175.776 175.015 0.761 25443 3754 1 6 . 1 1 94 94 SER CA C 94 60.031 60.031 61.033 -1.002 25443 3755 1 6 . 1 1 94 94 SER CB C 94 62.152 62.152 63.006 -0.854 25443 3756 1 6 . 1 1 94 94 SER H H 94 8.299 8.299 8.220 0.079 25443 3757 1 6 . 1 1 95 95 LEU N N 95 122.179 122.179 120.409 1.770 25443 3758 1 6 . 1 1 95 95 LEU HA H 95 4.651 4.651 4.853 -0.202 25443 3759 1 6 . 1 1 95 95 LEU C C 95 175.381 175.381 176.823 -1.442 25443 3760 1 6 . 1 1 95 95 LEU CA C 95 53.934 53.934 53.474 0.460 25443 3761 1 6 . 1 1 95 95 LEU CB C 95 41.861 41.861 41.666 0.195 25443 3762 1 6 . 1 1 95 95 LEU H H 95 7.159 7.159 7.388 -0.229 25443 3763 1 6 . 1 1 96 96 GLN N N 96 118.834 118.834 121.590 -2.756 25443 3764 1 6 . 1 1 96 96 GLN HA H 96 4.030 4.030 4.005 0.025 25443 3765 1 6 . 1 1 96 96 GLN C C 96 177.751 177.751 177.644 0.107 25443 3766 1 6 . 1 1 96 96 GLN CA C 96 60.705 60.705 59.488 1.217 25443 3767 1 6 . 1 1 96 96 GLN CB C 96 28.822 28.822 28.415 0.407 25443 3768 1 6 . 1 1 96 96 GLN H H 96 7.329 7.329 7.909 -0.580 25443 3769 1 6 . 1 1 97 97 LYS N N 97 116.469 116.469 120.746 -4.277 25443 3770 1 6 . 1 1 97 97 LYS HA H 97 4.060 4.060 4.096 -0.036 25443 3771 1 6 . 1 1 97 97 LYS C C 97 179.164 179.164 179.207 -0.043 25443 3772 1 6 . 1 1 97 97 LYS CA C 97 59.430 59.430 59.117 0.313 25443 3773 1 6 . 1 1 97 97 LYS CB C 97 31.511 31.511 31.436 0.075 25443 3774 1 6 . 1 1 97 97 LYS H H 97 8.614 8.614 8.764 -0.150 25443 3775 1 6 . 1 1 98 98 TYR N N 98 124.165 124.165 120.411 3.754 25443 3776 1 6 . 1 1 98 98 TYR HA H 98 4.079 4.079 4.166 -0.087 25443 3777 1 6 . 1 1 98 98 TYR C C 98 177.316 177.316 177.716 -0.400 25443 3778 1 6 . 1 1 98 98 TYR CA C 98 62.205 62.205 62.150 0.055 25443 3779 1 6 . 1 1 98 98 TYR CB C 98 37.162 37.162 38.323 -1.161 25443 3780 1 6 . 1 1 98 98 TYR H H 98 7.585 7.585 8.213 -0.628 25443 3781 1 6 . 1 1 99 99 TYR N N 99 117.955 117.955 120.191 -2.236 25443 3782 1 6 . 1 1 99 99 TYR HA H 99 5.078 5.078 4.167 0.911 25443 3783 1 6 . 1 1 99 99 TYR C C 99 180.957 180.957 178.036 2.921 25443 3784 1 6 . 1 1 99 99 TYR CA C 99 57.741 57.741 62.480 -4.739 25443 3785 1 6 . 1 1 99 99 TYR CB C 99 37.083 37.083 38.553 -1.470 25443 3786 1 6 . 1 1 99 99 TYR H H 99 8.660 8.660 8.873 -0.213 25443 3787 1 6 . 1 1 100 100 GLU N N 100 118.796 118.796 118.968 -0.172 25443 3788 1 6 . 1 1 100 100 GLU HA H 100 4.024 4.024 3.909 0.115 25443 3789 1 6 . 1 1 100 100 GLU C C 100 178.571 178.571 178.947 -0.376 25443 3790 1 6 . 1 1 100 100 GLU CA C 100 59.400 59.400 59.821 -0.420 25443 3791 1 6 . 1 1 100 100 GLU CB C 100 29.660 29.660 29.462 0.198 25443 3792 1 6 . 1 1 100 100 GLU H H 100 8.263 8.263 8.775 -0.512 25443 3793 1 6 . 1 1 101 101 ALA N N 101 123.346 123.346 122.013 1.333 25443 3794 1 6 . 1 1 101 101 ALA HA H 101 4.244 4.244 4.064 0.179 25443 3795 1 6 . 1 1 101 101 ALA C C 101 181.331 181.331 179.852 1.479 25443 3796 1 6 . 1 1 101 101 ALA CA C 101 54.851 54.851 55.082 -0.231 25443 3797 1 6 . 1 1 101 101 ALA CB C 101 18.559 18.559 18.210 0.349 25443 3798 1 6 . 1 1 101 101 ALA H H 101 7.966 7.966 7.879 0.087 25443 3799 1 6 . 1 1 102 102 VAL N N 102 120.241 120.241 119.179 1.062 25443 3800 1 6 . 1 1 102 102 VAL HA H 102 3.713 3.713 3.398 0.315 25443 3801 1 6 . 1 1 102 102 VAL C C 102 176.967 176.967 177.682 -0.715 25443 3802 1 6 . 1 1 102 102 VAL CA C 102 67.433 67.433 66.770 0.663 25443 3803 1 6 . 1 1 102 102 VAL CB C 102 31.721 31.721 31.436 0.285 25443 3804 1 6 . 1 1 102 102 VAL H H 102 8.331 8.331 7.767 0.564 25443 3805 1 6 . 1 1 103 103 LYS N N 103 120.001 120.001 120.442 -0.441 25443 3806 1 6 . 1 1 103 103 LYS HA H 103 3.859 3.859 3.902 -0.043 25443 3807 1 6 . 1 1 103 103 LYS C C 103 178.500 178.500 178.992 -0.492 25443 3808 1 6 . 1 1 103 103 LYS CA C 103 59.652 59.652 60.248 -0.596 25443 3809 1 6 . 1 1 103 103 LYS CB C 103 32.040 32.040 32.421 -0.381 25443 3810 1 6 . 1 1 103 103 LYS H H 103 8.201 8.201 8.261 -0.060 25443 3811 1 6 . 1 1 104 104 GLU N N 104 116.335 116.335 117.921 -1.586 25443 3812 1 6 . 1 1 104 104 GLU HA H 104 3.928 3.928 4.062 -0.134 25443 3813 1 6 . 1 1 104 104 GLU C C 104 178.645 178.645 179.055 -0.410 25443 3814 1 6 . 1 1 104 104 GLU CA C 104 59.110 59.110 59.157 -0.048 25443 3815 1 6 . 1 1 104 104 GLU CB C 104 29.607 29.607 29.519 0.088 25443 3816 1 6 . 1 1 104 104 GLU H H 104 7.909 7.909 8.406 -0.497 25443 3817 1 6 . 1 1 105 105 GLU N N 105 119.210 119.210 121.230 -2.020 25443 3818 1 6 . 1 1 105 105 GLU HA H 105 3.844 3.844 4.115 -0.271 25443 3819 1 6 . 1 1 105 105 GLU C C 105 178.613 178.613 178.921 -0.308 25443 3820 1 6 . 1 1 105 105 GLU CA C 105 58.162 58.162 58.931 -0.769 25443 3821 1 6 . 1 1 105 105 GLU CB C 105 29.754 29.754 29.226 0.528 25443 3822 1 6 . 1 1 105 105 GLU H H 105 7.257 7.257 7.924 -0.667 25443 3823 1 6 . 1 1 106 106 LEU N N 106 117.408 117.408 119.650 -2.242 25443 3824 1 6 . 1 1 106 106 LEU HA H 106 3.976 3.976 3.968 0.008 25443 3825 1 6 . 1 1 106 106 LEU C C 106 178.646 178.646 178.949 -0.303 25443 3826 1 6 . 1 1 106 106 LEU CA C 106 56.699 56.699 58.642 -1.943 25443 3827 1 6 . 1 1 106 106 LEU CB C 106 40.455 40.455 41.722 -1.267 25443 3828 1 6 . 1 1 106 106 LEU H H 106 8.169 8.169 8.180 -0.011 25443 3829 1 6 . 1 1 107 107 ASP N N 107 119.073 119.073 118.580 0.493 25443 3830 1 6 . 1 1 107 107 ASP HA H 107 4.521 4.521 4.296 0.225 25443 3831 1 6 . 1 1 107 107 ASP C C 107 177.069 177.069 177.879 -0.810 25443 3832 1 6 . 1 1 107 107 ASP CA C 107 55.099 55.099 57.573 -2.474 25443 3833 1 6 . 1 1 107 107 ASP CB C 107 40.670 40.670 41.066 -0.396 25443 3834 1 6 . 1 1 107 107 ASP H H 107 8.003 8.003 8.079 -0.076 25443 3835 1 6 . 1 1 108 108 ARG N N 108 120.705 120.705 119.390 1.315 25443 3836 1 6 . 1 1 108 108 ARG HA H 108 4.067 4.067 4.159 -0.092 25443 3837 1 6 . 1 1 108 108 ARG C C 108 176.990 176.990 177.853 -0.863 25443 3838 1 6 . 1 1 108 108 ARG CA C 108 57.517 57.517 58.107 -0.590 25443 3839 1 6 . 1 1 108 108 ARG CB C 108 30.407 30.407 30.041 0.365 25443 3840 1 6 . 1 1 108 108 ARG H H 108 7.603 7.603 7.834 -0.231 25443 3841 1 6 . 1 1 109 109 ASP N N 109 120.246 120.246 118.785 1.461 25443 3842 1 6 . 1 1 109 109 ASP HA H 109 4.521 4.521 4.479 0.042 25443 3843 1 6 . 1 1 109 109 ASP C C 109 176.630 176.630 177.740 -1.110 25443 3844 1 6 . 1 1 109 109 ASP CA C 109 55.028 55.028 56.640 -1.612 25443 3845 1 6 . 1 1 109 109 ASP CB C 109 40.936 40.936 41.566 -0.630 25443 3846 1 6 . 1 1 109 109 ASP H H 109 8.226 8.226 7.755 0.471 25443 3847 1 6 . 1 1 110 110 ILE N N 110 120.386 120.386 118.993 1.393 25443 3848 1 6 . 1 1 110 110 ILE HA H 110 3.987 3.987 3.819 0.168 25443 3849 1 6 . 1 1 110 110 ILE C C 110 176.996 176.996 178.200 -1.204 25443 3850 1 6 . 1 1 110 110 ILE CA C 110 62.241 62.241 64.208 -1.967 25443 3851 1 6 . 1 1 110 110 ILE CB C 110 38.359 38.359 38.964 -0.605 25443 3852 1 6 . 1 1 110 110 ILE H H 110 7.863 7.863 7.915 -0.052 25443 3853 1 6 . 1 1 111 111 VAL N N 111 122.548 122.548 116.331 6.217 25443 3854 1 6 . 1 1 111 111 VAL HA H 111 3.946 3.946 3.562 0.384 25443 3855 1 6 . 1 1 111 111 VAL C C 111 176.938 176.938 176.200 0.738 25443 3856 1 6 . 1 1 111 111 VAL CA C 111 63.499 63.499 65.465 -1.966 25443 3857 1 6 . 1 1 111 111 VAL CB C 111 32.223 32.223 30.293 1.930 25443 3858 1 6 . 1 1 111 111 VAL H H 111 8.016 8.016 8.647 -0.631 25443 3859 1 6 . 1 1 112 112 SER N N 112 117.984 117.984 113.151 4.833 25443 3860 1 6 . 1 1 112 112 SER HA H 112 4.317 4.317 4.422 -0.105 25443 3861 1 6 . 1 1 112 112 SER C C 112 175.154 175.154 174.141 1.013 25443 3862 1 6 . 1 1 112 112 SER CA C 112 59.025 59.025 59.091 -0.066 25443 3863 1 6 . 1 1 112 112 SER CB C 112 63.419 63.419 65.029 -1.610 25443 3864 1 6 . 1 1 112 112 SER H H 112 8.187 8.187 8.259 -0.072 25443 3865 1 6 . 1 1 113 113 LYS N N 113 122.727 122.727 121.854 0.873 25443 3866 1 6 . 1 1 113 113 LYS HA H 113 4.209 4.209 4.028 0.181 25443 3867 1 6 . 1 1 113 113 LYS C C 113 176.713 176.713 176.065 0.648 25443 3868 1 6 . 1 1 113 113 LYS CA C 113 56.844 56.844 57.135 -0.290 25443 3869 1 6 . 1 1 113 113 LYS CB C 113 32.794 32.794 30.869 1.925 25443 3870 1 6 . 1 1 113 113 LYS H H 113 8.152 8.152 8.260 -0.108 25443 3871 1 6 . 1 1 114 114 ASN N N 114 118.886 118.886 117.817 1.069 25443 3872 1 6 . 1 1 114 114 ASN C C 114 175.227 175.227 174.557 0.670 25443 3873 1 6 . 1 1 114 114 ASN CA C 114 53.549 53.549 53.581 -0.032 25443 3874 1 6 . 1 1 114 114 ASN H H 114 8.261 8.261 8.409 -0.148 25443 3875 1 6 . 1 1 115 115 ASN N N 115 119.345 119.345 120.059 -0.714 25443 3876 1 6 . 1 1 115 115 ASN C C 115 174.896 174.896 175.056 -0.160 25443 3877 1 6 . 1 1 115 115 ASN CA C 115 53.476 53.476 53.896 -0.420 25443 3878 1 6 . 1 1 115 115 ASN H H 115 8.257 8.257 8.746 -0.489 25443 3879 1 6 . 1 1 116 116 ALA N N 116 123.669 123.669 127.509 -3.840 25443 3880 1 6 . 1 1 116 116 ALA HA H 116 4.254 4.254 4.258 -0.004 25443 3881 1 6 . 1 1 116 116 ALA C C 116 177.567 177.567 178.056 -0.489 25443 3882 1 6 . 1 1 116 116 ALA CA C 116 52.678 52.678 54.042 -1.364 25443 3883 1 6 . 1 1 116 116 ALA CB C 116 19.243 19.243 19.479 -0.236 25443 3884 1 6 . 1 1 116 116 ALA H H 116 8.094 8.094 8.150 -0.056 25443 3885 1 6 . 1 1 117 117 GLU N N 117 120.083 120.083 117.249 2.834 25443 3886 1 6 . 1 1 117 117 GLU C C 117 175.564 175.564 176.773 -1.209 25443 3887 1 6 . 1 1 117 117 GLU CA C 117 56.602 56.602 56.030 0.572 25443 3888 1 6 . 1 1 117 117 GLU H H 117 8.221 8.221 8.514 -0.293 25443 3889 1 7 . 1 1 2 2 ALA HA H 2 4.286 4.286 4.586 -0.300 25443 3890 1 7 . 1 1 2 2 ALA C C 2 177.853 177.853 177.476 0.377 25443 3891 1 7 . 1 1 2 2 ALA CA C 2 52.661 52.661 51.729 0.932 25443 3892 1 7 . 1 1 2 2 ALA CB C 2 19.308 19.308 20.427 -1.119 25443 3893 1 7 . 1 1 3 3 MET N N 3 119.404 119.404 120.430 -1.026 25443 3894 1 7 . 1 1 3 3 MET HA H 3 4.435 4.435 4.294 0.141 25443 3895 1 7 . 1 1 3 3 MET C C 3 176.731 176.731 177.218 -0.487 25443 3896 1 7 . 1 1 3 3 MET CA C 3 55.503 55.503 56.732 -1.229 25443 3897 1 7 . 1 1 3 3 MET CB C 3 32.795 32.795 32.982 -0.187 25443 3898 1 7 . 1 1 3 3 MET H H 3 8.530 8.530 8.861 -0.331 25443 3899 1 7 . 1 1 4 4 GLY N N 4 109.968 109.968 104.992 4.976 25443 3900 1 7 . 1 1 4 4 GLY C C 4 174.057 174.057 173.325 0.732 25443 3901 1 7 . 1 1 4 4 GLY CA C 4 45.363 45.363 44.646 0.717 25443 3902 1 7 . 1 1 4 4 GLY H H 4 8.414 8.414 8.055 0.359 25443 3903 1 7 . 1 1 5 5 ASN N N 5 118.659 118.659 118.938 -0.279 25443 3904 1 7 . 1 1 5 5 ASN HA H 5 4.606 4.606 4.268 0.338 25443 3905 1 7 . 1 1 5 5 ASN C C 5 175.443 175.443 175.608 -0.165 25443 3906 1 7 . 1 1 5 5 ASN CA C 5 53.530 53.530 54.681 -1.151 25443 3907 1 7 . 1 1 5 5 ASN CB C 5 38.876 38.876 38.164 0.712 25443 3908 1 7 . 1 1 5 5 ASN H H 5 8.326 8.326 8.308 0.018 25443 3909 1 7 . 1 1 6 6 GLU N N 6 120.909 120.909 116.577 4.332 25443 3910 1 7 . 1 1 6 6 GLU HA H 6 4.097 4.097 4.227 -0.130 25443 3911 1 7 . 1 1 6 6 GLU C C 6 176.261 176.261 175.392 0.869 25443 3912 1 7 . 1 1 6 6 GLU CA C 6 57.171 57.171 55.682 1.488 25443 3913 1 7 . 1 1 6 6 GLU CB C 6 29.715 29.715 30.283 -0.568 25443 3914 1 7 . 1 1 6 6 GLU H H 6 8.633 8.633 8.225 0.408 25443 3915 1 7 . 1 1 7 7 TYR N N 7 120.283 120.283 116.757 3.526 25443 3916 1 7 . 1 1 7 7 TYR HA H 7 4.440 4.440 4.203 0.237 25443 3917 1 7 . 1 1 7 7 TYR C C 7 175.789 175.789 174.963 0.826 25443 3918 1 7 . 1 1 7 7 TYR CA C 7 58.061 58.061 59.027 -0.966 25443 3919 1 7 . 1 1 7 7 TYR CB C 7 38.193 38.193 37.319 0.874 25443 3920 1 7 . 1 1 7 7 TYR H H 7 8.069 8.069 7.414 0.655 25443 3921 1 7 . 1 1 8 8 LYS N N 8 121.780 121.780 119.886 1.894 25443 3922 1 7 . 1 1 8 8 LYS HA H 8 4.107 4.107 4.693 -0.586 25443 3923 1 7 . 1 1 8 8 LYS C C 8 175.970 175.970 176.363 -0.393 25443 3924 1 7 . 1 1 8 8 LYS CA C 8 56.550 56.550 54.826 1.724 25443 3925 1 7 . 1 1 8 8 LYS CB C 8 33.141 33.141 35.501 -2.360 25443 3926 1 7 . 1 1 8 8 LYS H H 8 7.868 7.868 8.396 -0.528 25443 3927 1 7 . 1 1 9 9 ASP N N 9 119.825 119.825 122.055 -2.230 25443 3928 1 7 . 1 1 9 9 ASP HA H 9 4.577 4.577 4.388 0.189 25443 3929 1 7 . 1 1 9 9 ASP C C 9 175.979 175.979 176.780 -0.801 25443 3930 1 7 . 1 1 9 9 ASP CA C 9 54.608 54.608 57.041 -2.433 25443 3931 1 7 . 1 1 9 9 ASP CB C 9 41.455 41.455 40.911 0.544 25443 3932 1 7 . 1 1 9 9 ASP H H 9 8.164 8.164 8.824 -0.660 25443 3933 1 7 . 1 1 10 10 ASN N N 10 119.410 119.410 116.250 3.160 25443 3934 1 7 . 1 1 10 10 ASN HA H 10 4.935 4.935 4.704 0.231 25443 3935 1 7 . 1 1 10 10 ASN C C 10 174.654 174.654 174.976 -0.322 25443 3936 1 7 . 1 1 10 10 ASN CA C 10 52.792 52.792 53.541 -0.749 25443 3937 1 7 . 1 1 10 10 ASN CB C 10 38.554 38.554 37.831 0.723 25443 3938 1 7 . 1 1 10 10 ASN H H 10 8.284 8.284 8.255 0.029 25443 3939 1 7 . 1 1 11 11 ALA N N 11 122.716 122.716 123.005 -0.289 25443 3940 1 7 . 1 1 11 11 ALA HA H 11 4.521 4.521 4.417 0.104 25443 3941 1 7 . 1 1 11 11 ALA CA C 11 53.148 53.148 52.730 0.418 25443 3942 1 7 . 1 1 11 11 ALA CB C 11 19.223 19.223 18.496 0.727 25443 3943 1 7 . 1 1 11 11 ALA H H 11 8.260 8.260 7.128 1.132 25443 3944 1 7 . 1 1 12 12 TYR HA H 12 4.943 4.943 4.660 0.283 25443 3945 1 7 . 1 1 12 12 TYR C C 12 177.075 177.075 172.451 4.624 25443 3946 1 7 . 1 1 12 12 TYR CA C 12 57.314 57.314 55.316 1.998 25443 3947 1 7 . 1 1 12 12 TYR CB C 12 42.614 42.614 40.210 2.404 25443 3948 1 7 . 1 1 13 13 ILE N N 13 114.211 114.211 114.492 -0.281 25443 3949 1 7 . 1 1 13 13 ILE HA H 13 4.981 4.981 4.728 0.253 25443 3950 1 7 . 1 1 13 13 ILE C C 13 174.500 174.500 173.749 0.751 25443 3951 1 7 . 1 1 13 13 ILE CA C 13 60.380 60.380 58.537 1.843 25443 3952 1 7 . 1 1 13 13 ILE CB C 13 39.792 39.792 41.415 -1.623 25443 3953 1 7 . 1 1 13 13 ILE H H 13 9.358 9.358 8.561 0.797 25443 3954 1 7 . 1 1 14 14 TYR N N 14 124.891 124.891 126.051 -1.160 25443 3955 1 7 . 1 1 14 14 TYR HA H 14 4.579 4.579 4.884 -0.305 25443 3956 1 7 . 1 1 14 14 TYR C C 14 173.192 173.192 173.834 -0.642 25443 3957 1 7 . 1 1 14 14 TYR CA C 14 56.202 56.202 56.781 -0.578 25443 3958 1 7 . 1 1 14 14 TYR CB C 14 40.163 40.163 40.384 -0.221 25443 3959 1 7 . 1 1 14 14 TYR H H 14 9.163 9.163 8.801 0.362 25443 3960 1 7 . 1 1 15 15 ILE N N 15 127.801 127.801 126.917 0.884 25443 3961 1 7 . 1 1 15 15 ILE HA H 15 4.210 4.210 5.080 -0.870 25443 3962 1 7 . 1 1 15 15 ILE C C 15 173.823 173.823 175.743 -1.920 25443 3963 1 7 . 1 1 15 15 ILE CA C 15 59.616 59.616 59.065 0.551 25443 3964 1 7 . 1 1 15 15 ILE CB C 15 39.735 39.735 40.632 -0.897 25443 3965 1 7 . 1 1 15 15 ILE H H 15 8.569 8.569 8.534 0.035 25443 3966 1 7 . 1 1 16 16 GLY N N 16 112.441 112.441 112.387 0.054 25443 3967 1 7 . 1 1 16 16 GLY C C 16 173.159 173.159 173.880 -0.721 25443 3968 1 7 . 1 1 16 16 GLY CA C 16 43.244 43.244 42.848 0.396 25443 3969 1 7 . 1 1 16 16 GLY H H 16 9.354 9.354 8.312 1.042 25443 3970 1 7 . 1 1 17 17 ASN N N 17 114.797 114.797 120.029 -5.232 25443 3971 1 7 . 1 1 17 17 ASN HA H 17 4.347 4.347 4.842 -0.495 25443 3972 1 7 . 1 1 17 17 ASN C C 17 174.834 174.834 175.178 -0.344 25443 3973 1 7 . 1 1 17 17 ASN CA C 17 53.214 53.214 54.264 -1.050 25443 3974 1 7 . 1 1 17 17 ASN CB C 17 37.826 37.826 37.931 -0.105 25443 3975 1 7 . 1 1 17 17 ASN H H 17 8.552 8.552 8.527 0.025 25443 3976 1 7 . 1 1 18 18 LEU N N 18 114.526 114.526 125.498 -10.972 25443 3977 1 7 . 1 1 18 18 LEU HA H 18 3.994 3.994 4.587 -0.593 25443 3978 1 7 . 1 1 18 18 LEU C C 18 177.948 177.948 175.630 2.318 25443 3979 1 7 . 1 1 18 18 LEU CA C 18 53.772 53.772 53.401 0.371 25443 3980 1 7 . 1 1 18 18 LEU CB C 18 42.385 42.385 44.634 -2.249 25443 3981 1 7 . 1 1 18 18 LEU H H 18 7.743 7.743 8.318 -0.575 25443 3982 1 7 . 1 1 19 19 ASN N N 19 122.718 122.718 117.376 5.342 25443 3983 1 7 . 1 1 19 19 ASN HA H 19 4.302 4.302 4.759 -0.457 25443 3984 1 7 . 1 1 19 19 ASN C C 19 178.040 178.040 177.116 0.924 25443 3985 1 7 . 1 1 19 19 ASN CA C 19 54.421 54.421 52.412 2.009 25443 3986 1 7 . 1 1 19 19 ASN CB C 19 38.580 38.580 39.910 -1.330 25443 3987 1 7 . 1 1 19 19 ASN H H 19 8.758 8.758 8.638 0.120 25443 3988 1 7 . 1 1 20 20 ARG N N 20 128.821 128.821 124.675 4.146 25443 3989 1 7 . 1 1 20 20 ARG HA H 20 3.790 3.790 4.116 -0.326 25443 3990 1 7 . 1 1 20 20 ARG C C 20 175.566 175.566 176.685 -1.119 25443 3991 1 7 . 1 1 20 20 ARG CA C 20 58.775 58.775 58.400 0.375 25443 3992 1 7 . 1 1 20 20 ARG CB C 20 29.642 29.642 29.538 0.104 25443 3993 1 7 . 1 1 20 20 ARG H H 20 8.997 8.997 8.826 0.171 25443 3994 1 7 . 1 1 21 21 GLU N N 21 117.438 117.438 117.578 -0.140 25443 3995 1 7 . 1 1 21 21 GLU HA H 21 4.214 4.214 4.378 -0.164 25443 3996 1 7 . 1 1 21 21 GLU C C 21 177.076 177.076 176.117 0.959 25443 3997 1 7 . 1 1 21 21 GLU CA C 21 56.677 56.677 55.822 0.855 25443 3998 1 7 . 1 1 21 21 GLU CB C 21 30.451 30.451 30.081 0.370 25443 3999 1 7 . 1 1 21 21 GLU H H 21 9.043 9.043 8.535 0.508 25443 4000 1 7 . 1 1 22 22 LEU N N 22 116.311 116.311 123.712 -7.401 25443 4001 1 7 . 1 1 22 22 LEU HA H 22 4.491 4.491 4.416 0.075 25443 4002 1 7 . 1 1 22 22 LEU C C 22 178.389 178.389 175.783 2.606 25443 4003 1 7 . 1 1 22 22 LEU CA C 22 55.496 55.496 54.421 1.075 25443 4004 1 7 . 1 1 22 22 LEU CB C 22 42.148 42.148 42.472 -0.325 25443 4005 1 7 . 1 1 22 22 LEU H H 22 7.183 7.183 7.605 -0.422 25443 4006 1 7 . 1 1 23 23 THR N N 23 113.850 113.850 119.230 -5.380 25443 4007 1 7 . 1 1 23 23 THR HA H 23 4.289 4.289 4.582 -0.293 25443 4008 1 7 . 1 1 23 23 THR C C 23 175.229 175.229 175.338 -0.109 25443 4009 1 7 . 1 1 23 23 THR CA C 23 59.895 59.895 60.000 -0.105 25443 4010 1 7 . 1 1 23 23 THR CB C 23 71.989 71.989 71.051 0.938 25443 4011 1 7 . 1 1 23 23 THR H H 23 8.743 8.743 8.160 0.583 25443 4012 1 7 . 1 1 24 24 GLU N N 24 119.724 119.724 119.850 -0.126 25443 4013 1 7 . 1 1 24 24 GLU HA H 24 3.591 3.591 4.125 -0.534 25443 4014 1 7 . 1 1 24 24 GLU C C 24 178.597 178.597 178.564 0.033 25443 4015 1 7 . 1 1 24 24 GLU CA C 24 63.490 63.490 59.296 4.194 25443 4016 1 7 . 1 1 24 24 GLU CB C 24 27.433 27.433 29.157 -1.724 25443 4017 1 7 . 1 1 24 24 GLU H H 24 9.641 9.641 8.922 0.719 25443 4018 1 7 . 1 1 25 25 GLY N N 25 104.430 104.430 108.446 -4.016 25443 4019 1 7 . 1 1 25 25 GLY C C 25 175.425 175.425 175.762 -0.337 25443 4020 1 7 . 1 1 25 25 GLY CA C 25 47.334 47.334 46.917 0.416 25443 4021 1 7 . 1 1 25 25 GLY H H 25 8.423 8.423 7.835 0.588 25443 4022 1 7 . 1 1 26 26 ASP N N 26 123.128 123.128 123.553 -0.425 25443 4023 1 7 . 1 1 26 26 ASP HA H 26 4.530 4.530 4.388 0.142 25443 4024 1 7 . 1 1 26 26 ASP C C 26 177.878 177.878 178.620 -0.742 25443 4025 1 7 . 1 1 26 26 ASP CA C 26 57.429 57.429 58.268 -0.839 25443 4026 1 7 . 1 1 26 26 ASP CB C 26 41.612 41.612 40.681 0.930 25443 4027 1 7 . 1 1 26 26 ASP H H 26 7.859 7.859 7.638 0.221 25443 4028 1 7 . 1 1 27 27 ILE N N 27 118.864 118.864 120.429 -1.565 25443 4029 1 7 . 1 1 27 27 ILE HA H 27 3.534 3.534 3.672 -0.138 25443 4030 1 7 . 1 1 27 27 ILE C C 27 178.225 178.225 178.071 0.154 25443 4031 1 7 . 1 1 27 27 ILE CA C 27 65.627 65.627 65.414 0.213 25443 4032 1 7 . 1 1 27 27 ILE CB C 27 37.614 37.614 38.028 -0.414 25443 4033 1 7 . 1 1 27 27 ILE H H 27 8.055 8.055 7.640 0.415 25443 4034 1 7 . 1 1 28 28 LEU N N 28 119.416 119.416 119.588 -0.172 25443 4035 1 7 . 1 1 28 28 LEU HA H 28 3.861 3.861 4.152 -0.291 25443 4036 1 7 . 1 1 28 28 LEU C C 28 179.884 179.884 179.720 0.164 25443 4037 1 7 . 1 1 28 28 LEU CA C 28 58.758 58.758 58.117 0.641 25443 4038 1 7 . 1 1 28 28 LEU CB C 28 41.137 41.137 41.454 -0.317 25443 4039 1 7 . 1 1 28 28 LEU H H 28 8.423 8.423 8.529 -0.106 25443 4040 1 7 . 1 1 29 29 THR N N 29 119.586 119.586 116.350 3.236 25443 4041 1 7 . 1 1 29 29 THR HA H 29 3.790 3.790 3.840 -0.050 25443 4042 1 7 . 1 1 29 29 THR C C 29 176.530 176.530 176.204 0.326 25443 4043 1 7 . 1 1 29 29 THR CA C 29 67.322 67.322 67.041 0.281 25443 4044 1 7 . 1 1 29 29 THR CB C 29 68.372 68.372 68.732 -0.360 25443 4045 1 7 . 1 1 29 29 THR H H 29 8.552 8.552 8.104 0.448 25443 4046 1 7 . 1 1 30 30 VAL N N 30 119.948 119.948 120.640 -0.692 25443 4047 1 7 . 1 1 30 30 VAL HA H 30 3.601 3.601 3.519 0.082 25443 4048 1 7 . 1 1 30 30 VAL C C 30 178.670 178.670 177.747 0.923 25443 4049 1 7 . 1 1 30 30 VAL CA C 30 66.081 66.081 65.914 0.167 25443 4050 1 7 . 1 1 30 30 VAL CB C 30 32.993 32.993 31.052 1.941 25443 4051 1 7 . 1 1 30 30 VAL H H 30 7.959 7.959 7.774 0.185 25443 4052 1 7 . 1 1 31 31 PHE N N 31 113.636 113.636 117.794 -4.158 25443 4053 1 7 . 1 1 31 31 PHE HA H 31 4.006 4.006 4.328 -0.322 25443 4054 1 7 . 1 1 31 31 PHE C C 31 180.133 180.133 177.712 2.421 25443 4055 1 7 . 1 1 31 31 PHE CA C 31 62.266 62.266 60.879 1.387 25443 4056 1 7 . 1 1 31 31 PHE CB C 31 37.711 37.711 38.201 -0.490 25443 4057 1 7 . 1 1 31 31 PHE H H 31 8.726 8.726 7.914 0.812 25443 4058 1 7 . 1 1 32 32 SER N N 32 119.746 119.746 114.435 5.311 25443 4059 1 7 . 1 1 32 32 SER HA H 32 5.107 5.107 4.252 0.855 25443 4060 1 7 . 1 1 32 32 SER C C 32 173.450 173.450 175.687 -2.237 25443 4061 1 7 . 1 1 32 32 SER CA C 32 61.440 61.440 61.279 0.161 25443 4062 1 7 . 1 1 32 32 SER CB C 32 62.690 62.690 62.535 0.155 25443 4063 1 7 . 1 1 32 32 SER H H 32 8.564 8.564 8.448 0.116 25443 4064 1 7 . 1 1 33 33 GLU N N 33 118.689 118.689 121.145 -2.456 25443 4065 1 7 . 1 1 33 33 GLU HA H 33 3.854 3.854 3.949 -0.095 25443 4066 1 7 . 1 1 33 33 GLU C C 33 176.471 176.471 177.339 -0.868 25443 4067 1 7 . 1 1 33 33 GLU CA C 33 57.997 57.997 58.585 -0.588 25443 4068 1 7 . 1 1 33 33 GLU CB C 33 29.503 29.503 29.358 0.145 25443 4069 1 7 . 1 1 33 33 GLU H H 33 6.733 6.733 7.421 -0.688 25443 4070 1 7 . 1 1 34 34 TYR N N 34 111.313 111.313 116.828 -5.515 25443 4071 1 7 . 1 1 34 34 TYR HA H 34 4.469 4.469 4.542 -0.073 25443 4072 1 7 . 1 1 34 34 TYR C C 34 174.351 174.351 175.939 -1.588 25443 4073 1 7 . 1 1 34 34 TYR CA C 34 57.940 57.940 57.935 0.005 25443 4074 1 7 . 1 1 34 34 TYR CB C 34 39.557 39.557 39.115 0.442 25443 4075 1 7 . 1 1 34 34 TYR H H 34 6.662 6.662 7.232 -0.570 25443 4076 1 7 . 1 1 35 35 GLY N N 35 106.055 106.055 107.751 -1.696 25443 4077 1 7 . 1 1 35 35 GLY C C 35 170.709 170.709 173.692 -2.983 25443 4078 1 7 . 1 1 35 35 GLY CA C 35 45.230 45.230 45.183 0.047 25443 4079 1 7 . 1 1 35 35 GLY H H 35 7.302 7.302 7.629 -0.327 25443 4080 1 7 . 1 1 36 36 VAL N N 36 121.596 121.596 120.251 1.345 25443 4081 1 7 . 1 1 36 36 VAL HA H 36 4.492 4.492 4.508 -0.016 25443 4082 1 7 . 1 1 36 36 VAL CA C 36 59.912 59.912 59.050 0.862 25443 4083 1 7 . 1 1 36 36 VAL CB C 36 33.632 33.632 34.220 -0.588 25443 4084 1 7 . 1 1 36 36 VAL H H 36 8.595 8.595 7.950 0.645 25443 4085 1 7 . 1 1 37 37 PRO HA H 37 4.499 4.499 4.804 -0.305 25443 4086 1 7 . 1 1 37 37 PRO C C 37 176.150 176.150 175.380 0.770 25443 4087 1 7 . 1 1 37 37 PRO CA C 37 62.320 62.320 62.256 0.064 25443 4088 1 7 . 1 1 37 37 PRO CB C 37 31.945 31.945 31.454 0.491 25443 4089 1 7 . 1 1 38 38 VAL N N 38 114.135 114.135 123.159 -9.024 25443 4090 1 7 . 1 1 38 38 VAL HA H 38 4.436 4.436 4.543 -0.107 25443 4091 1 7 . 1 1 38 38 VAL C C 38 175.124 175.124 175.129 -0.005 25443 4092 1 7 . 1 1 38 38 VAL CA C 38 60.488 60.488 59.570 0.918 25443 4093 1 7 . 1 1 38 38 VAL CB C 38 32.560 32.560 35.184 -2.624 25443 4094 1 7 . 1 1 38 38 VAL H H 38 9.006 9.006 7.826 1.180 25443 4095 1 7 . 1 1 39 39 ASP N N 39 118.095 118.095 122.440 -4.345 25443 4096 1 7 . 1 1 39 39 ASP HA H 39 4.626 4.626 4.621 0.005 25443 4097 1 7 . 1 1 39 39 ASP C C 39 174.577 174.577 175.226 -0.649 25443 4098 1 7 . 1 1 39 39 ASP CA C 39 54.706 54.706 55.633 -0.927 25443 4099 1 7 . 1 1 39 39 ASP CB C 39 43.495 43.495 41.090 2.405 25443 4100 1 7 . 1 1 39 39 ASP H H 39 7.454 7.454 8.162 -0.708 25443 4101 1 7 . 1 1 40 40 VAL N N 40 121.566 121.566 123.146 -1.580 25443 4102 1 7 . 1 1 40 40 VAL HA H 40 4.897 4.897 4.656 0.241 25443 4103 1 7 . 1 1 40 40 VAL C C 40 170.928 170.928 174.809 -3.881 25443 4104 1 7 . 1 1 40 40 VAL CA C 40 60.729 60.729 60.729 0.000 25443 4105 1 7 . 1 1 40 40 VAL CB C 40 34.373 34.373 33.869 0.504 25443 4106 1 7 . 1 1 40 40 VAL H H 40 7.576 7.576 8.261 -0.685 25443 4107 1 7 . 1 1 41 41 ILE N N 41 125.247 125.247 130.042 -4.795 25443 4108 1 7 . 1 1 41 41 ILE HA H 41 4.752 4.752 4.603 0.149 25443 4109 1 7 . 1 1 41 41 ILE C C 41 175.440 175.440 174.160 1.280 25443 4110 1 7 . 1 1 41 41 ILE CA C 41 61.609 61.609 59.906 1.703 25443 4111 1 7 . 1 1 41 41 ILE H H 41 8.929 8.929 9.161 -0.232 25443 4112 1 7 . 1 1 42 42 LEU N N 42 128.791 128.791 129.499 -0.708 25443 4113 1 7 . 1 1 42 42 LEU HA H 42 4.387 4.387 4.512 -0.125 25443 4114 1 7 . 1 1 42 42 LEU C C 42 174.979 174.979 176.030 -1.051 25443 4115 1 7 . 1 1 42 42 LEU CA C 42 53.345 53.345 54.124 -0.779 25443 4116 1 7 . 1 1 42 42 LEU CB C 42 43.298 43.298 43.838 -0.540 25443 4117 1 7 . 1 1 42 42 LEU H H 42 8.309 8.309 8.115 0.194 25443 4118 1 7 . 1 1 43 43 SER N N 43 122.753 122.753 123.571 -0.818 25443 4119 1 7 . 1 1 43 43 SER HA H 43 3.821 3.821 4.349 -0.528 25443 4120 1 7 . 1 1 43 43 SER C C 43 173.870 173.870 173.031 0.839 25443 4121 1 7 . 1 1 43 43 SER CA C 43 59.707 59.707 58.271 1.436 25443 4122 1 7 . 1 1 43 43 SER CB C 43 62.714 62.714 61.882 0.833 25443 4123 1 7 . 1 1 43 43 SER H H 43 8.317 8.317 8.328 -0.011 25443 4124 1 7 . 1 1 44 44 ARG N N 44 128.068 128.068 125.338 2.730 25443 4125 1 7 . 1 1 44 44 ARG HA H 44 4.763 4.763 4.932 -0.169 25443 4126 1 7 . 1 1 44 44 ARG C C 44 175.094 175.094 175.678 -0.584 25443 4127 1 7 . 1 1 44 44 ARG CA C 44 54.100 54.100 54.197 -0.097 25443 4128 1 7 . 1 1 44 44 ARG CB C 44 34.218 34.218 33.275 0.943 25443 4129 1 7 . 1 1 44 44 ARG H H 44 8.152 8.152 7.692 0.460 25443 4130 1 7 . 1 1 45 45 ASP N N 45 123.595 123.595 121.843 1.752 25443 4131 1 7 . 1 1 45 45 ASP HA H 45 4.172 4.172 4.575 -0.403 25443 4132 1 7 . 1 1 45 45 ASP C C 45 177.467 177.467 177.516 -0.049 25443 4133 1 7 . 1 1 45 45 ASP CA C 45 54.898 54.898 54.240 0.658 25443 4134 1 7 . 1 1 45 45 ASP CB C 45 43.568 43.568 42.777 0.791 25443 4135 1 7 . 1 1 45 45 ASP H H 45 8.628 8.628 8.676 -0.048 25443 4136 1 7 . 1 1 46 46 GLU N N 46 125.161 125.161 126.030 -0.869 25443 4137 1 7 . 1 1 46 46 GLU HA H 46 3.843 3.843 4.086 -0.243 25443 4138 1 7 . 1 1 46 46 GLU C C 46 175.690 175.690 177.136 -1.446 25443 4139 1 7 . 1 1 46 46 GLU CA C 46 58.861 58.861 59.220 -0.359 25443 4140 1 7 . 1 1 46 46 GLU CB C 46 29.636 29.636 29.675 -0.039 25443 4141 1 7 . 1 1 46 46 GLU H H 46 9.013 9.013 8.905 0.108 25443 4142 1 7 . 1 1 47 47 ASN N N 47 115.135 115.135 115.584 -0.449 25443 4143 1 7 . 1 1 47 47 ASN HA H 47 4.842 4.842 4.715 0.127 25443 4144 1 7 . 1 1 47 47 ASN C C 47 176.655 176.655 177.106 -0.451 25443 4145 1 7 . 1 1 47 47 ASN CA C 47 54.897 54.897 54.598 0.299 25443 4146 1 7 . 1 1 47 47 ASN CB C 47 40.141 40.141 39.693 0.448 25443 4147 1 7 . 1 1 47 47 ASN H H 47 8.926 8.926 8.171 0.755 25443 4148 1 7 . 1 1 48 48 THR N N 48 107.544 107.544 113.287 -5.743 25443 4149 1 7 . 1 1 48 48 THR HA H 48 4.400 4.400 4.401 -0.001 25443 4150 1 7 . 1 1 48 48 THR C C 48 176.484 176.484 175.904 0.580 25443 4151 1 7 . 1 1 48 48 THR CA C 48 61.513 61.513 63.111 -1.598 25443 4152 1 7 . 1 1 48 48 THR CB C 48 71.189 71.189 69.815 1.374 25443 4153 1 7 . 1 1 48 48 THR H H 48 8.455 8.455 8.916 -0.461 25443 4154 1 7 . 1 1 49 49 GLY N N 49 111.753 111.753 109.016 2.737 25443 4155 1 7 . 1 1 49 49 GLY C C 49 173.167 173.167 173.479 -0.312 25443 4156 1 7 . 1 1 49 49 GLY CA C 49 45.628 45.628 45.652 -0.024 25443 4157 1 7 . 1 1 49 49 GLY H H 49 8.607 8.607 7.925 0.682 25443 4158 1 7 . 1 1 50 50 GLU N N 50 119.978 119.978 119.813 0.165 25443 4159 1 7 . 1 1 50 50 GLU HA H 50 4.071 4.071 4.262 -0.191 25443 4160 1 7 . 1 1 50 50 GLU C C 50 176.629 176.629 176.297 0.332 25443 4161 1 7 . 1 1 50 50 GLU CA C 50 56.500 56.500 55.885 0.615 25443 4162 1 7 . 1 1 50 50 GLU CB C 50 30.927 30.927 30.088 0.839 25443 4163 1 7 . 1 1 50 50 GLU H H 50 7.796 7.796 7.811 -0.015 25443 4164 1 7 . 1 1 51 51 SER N N 51 115.672 115.672 116.801 -1.129 25443 4165 1 7 . 1 1 51 51 SER HA H 51 4.205 4.205 4.469 -0.264 25443 4166 1 7 . 1 1 51 51 SER C C 51 176.532 176.532 175.323 1.209 25443 4167 1 7 . 1 1 51 51 SER CA C 51 58.320 58.320 58.793 -0.473 25443 4168 1 7 . 1 1 51 51 SER CB C 51 64.596 64.596 63.547 1.049 25443 4169 1 7 . 1 1 51 51 SER H H 51 8.889 8.889 8.836 0.053 25443 4170 1 7 . 1 1 52 52 GLN N N 52 123.139 123.139 127.045 -3.906 25443 4171 1 7 . 1 1 52 52 GLN HA H 52 4.421 4.421 4.311 0.110 25443 4172 1 7 . 1 1 52 52 GLN C C 52 177.396 177.396 176.426 0.970 25443 4173 1 7 . 1 1 52 52 GLN CA C 52 55.051 55.051 56.095 -1.044 25443 4174 1 7 . 1 1 52 52 GLN CB C 52 29.874 29.874 29.142 0.732 25443 4175 1 7 . 1 1 52 52 GLN H H 52 9.078 9.078 8.946 0.132 25443 4176 1 7 . 1 1 53 53 GLY N N 53 105.904 105.904 106.686 -0.782 25443 4177 1 7 . 1 1 53 53 GLY C C 53 172.046 172.046 173.361 -1.315 25443 4178 1 7 . 1 1 53 53 GLY CA C 53 46.550 46.550 44.985 1.565 25443 4179 1 7 . 1 1 53 53 GLY H H 53 8.851 8.851 7.845 1.006 25443 4180 1 7 . 1 1 54 54 PHE N N 54 111.888 111.888 114.558 -2.670 25443 4181 1 7 . 1 1 54 54 PHE HA H 54 5.253 5.253 5.293 -0.040 25443 4182 1 7 . 1 1 54 54 PHE C C 54 171.570 171.570 172.574 -1.004 25443 4183 1 7 . 1 1 54 54 PHE CA C 54 55.592 55.592 54.578 1.014 25443 4184 1 7 . 1 1 54 54 PHE CB C 54 40.806 40.806 40.577 0.230 25443 4185 1 7 . 1 1 54 54 PHE H H 54 6.827 6.827 7.120 -0.293 25443 4186 1 7 . 1 1 55 55 ALA N N 55 121.888 121.888 119.081 2.807 25443 4187 1 7 . 1 1 55 55 ALA HA H 55 5.032 5.032 4.644 0.388 25443 4188 1 7 . 1 1 55 55 ALA C C 55 172.957 172.957 174.386 -1.429 25443 4189 1 7 . 1 1 55 55 ALA CA C 55 49.477 49.477 50.805 -1.328 25443 4190 1 7 . 1 1 55 55 ALA H H 55 8.927 8.927 8.085 0.842 25443 4191 1 7 . 1 1 56 56 TYR N N 56 115.049 115.049 115.235 -0.186 25443 4192 1 7 . 1 1 56 56 TYR HA H 56 5.602 5.602 5.540 0.062 25443 4193 1 7 . 1 1 56 56 TYR C C 56 175.162 175.162 174.407 0.755 25443 4194 1 7 . 1 1 56 56 TYR CA C 56 55.444 55.444 56.680 -1.236 25443 4195 1 7 . 1 1 56 56 TYR CB C 56 42.189 42.189 43.252 -1.063 25443 4196 1 7 . 1 1 56 56 TYR H H 56 9.020 9.020 8.840 0.180 25443 4197 1 7 . 1 1 57 57 LEU N N 57 122.745 122.745 122.347 0.398 25443 4198 1 7 . 1 1 57 57 LEU HA H 57 4.713 4.713 5.126 -0.413 25443 4199 1 7 . 1 1 57 57 LEU C C 57 172.371 172.371 174.525 -2.154 25443 4200 1 7 . 1 1 57 57 LEU CA C 57 54.712 54.712 54.666 0.046 25443 4201 1 7 . 1 1 57 57 LEU CB C 57 46.754 46.754 46.308 0.446 25443 4202 1 7 . 1 1 57 57 LEU H H 57 8.706 8.706 9.125 -0.419 25443 4203 1 7 . 1 1 58 58 LYS N N 58 125.469 125.469 127.834 -2.365 25443 4204 1 7 . 1 1 58 58 LYS HA H 58 4.467 4.467 4.615 -0.148 25443 4205 1 7 . 1 1 58 58 LYS C C 58 175.152 175.152 174.013 1.139 25443 4206 1 7 . 1 1 58 58 LYS CA C 58 54.494 54.494 54.249 0.244 25443 4207 1 7 . 1 1 58 58 LYS CB C 58 36.479 36.479 34.496 1.982 25443 4208 1 7 . 1 1 58 58 LYS H H 58 7.948 7.948 8.976 -1.028 25443 4209 1 7 . 1 1 59 59 TYR N N 59 126.261 126.261 123.076 3.185 25443 4210 1 7 . 1 1 59 59 TYR HA H 59 5.003 5.003 4.744 0.259 25443 4211 1 7 . 1 1 59 59 TYR C C 59 176.020 176.020 174.336 1.684 25443 4212 1 7 . 1 1 59 59 TYR CA C 59 57.992 57.992 55.189 2.803 25443 4213 1 7 . 1 1 59 59 TYR CB C 59 41.715 41.715 40.113 1.602 25443 4214 1 7 . 1 1 59 59 TYR H H 59 8.957 8.957 7.681 1.276 25443 4215 1 7 . 1 1 60 60 GLU N N 60 120.342 120.342 121.230 -0.888 25443 4216 1 7 . 1 1 60 60 GLU HA H 60 3.839 3.839 4.211 -0.372 25443 4217 1 7 . 1 1 60 60 GLU C C 60 175.346 175.346 174.862 0.484 25443 4218 1 7 . 1 1 60 60 GLU CA C 60 59.057 59.057 55.810 3.247 25443 4219 1 7 . 1 1 60 60 GLU CB C 60 30.653 30.653 30.308 0.345 25443 4220 1 7 . 1 1 60 60 GLU H H 60 8.845 8.845 8.553 0.292 25443 4221 1 7 . 1 1 61 61 ASP N N 61 116.193 116.193 121.884 -5.691 25443 4222 1 7 . 1 1 61 61 ASP HA H 61 4.915 4.915 4.186 0.729 25443 4223 1 7 . 1 1 61 61 ASP C C 61 176.659 176.659 175.114 1.545 25443 4224 1 7 . 1 1 61 61 ASP CA C 61 51.856 51.856 54.358 -2.502 25443 4225 1 7 . 1 1 61 61 ASP CB C 61 43.726 43.726 43.312 0.414 25443 4226 1 7 . 1 1 61 61 ASP H H 61 7.922 7.922 7.912 0.010 25443 4227 1 7 . 1 1 62 62 GLN N N 62 125.812 125.812 124.958 0.854 25443 4228 1 7 . 1 1 62 62 GLN HA H 62 4.221 4.221 4.247 -0.026 25443 4229 1 7 . 1 1 62 62 GLN C C 62 178.430 178.430 177.588 0.842 25443 4230 1 7 . 1 1 62 62 GLN CA C 62 58.449 58.449 58.573 -0.124 25443 4231 1 7 . 1 1 62 62 GLN CB C 62 28.076 28.076 29.262 -1.186 25443 4232 1 7 . 1 1 62 62 GLN H H 62 8.964 8.964 9.027 -0.063 25443 4233 1 7 . 1 1 63 63 ARG N N 63 120.943 120.943 120.953 -0.010 25443 4234 1 7 . 1 1 63 63 ARG HA H 63 3.979 3.979 4.084 -0.105 25443 4235 1 7 . 1 1 63 63 ARG C C 63 179.350 179.350 178.289 1.061 25443 4236 1 7 . 1 1 63 63 ARG CA C 63 59.398 59.398 59.647 -0.249 25443 4237 1 7 . 1 1 63 63 ARG CB C 63 29.466 29.466 30.012 -0.546 25443 4238 1 7 . 1 1 63 63 ARG H H 63 8.965 8.965 8.040 0.925 25443 4239 1 7 . 1 1 64 64 SER N N 64 115.358 115.358 113.565 1.793 25443 4240 1 7 . 1 1 64 64 SER HA H 64 3.898 3.898 4.127 -0.229 25443 4241 1 7 . 1 1 64 64 SER C C 64 174.444 174.444 176.034 -1.590 25443 4242 1 7 . 1 1 64 64 SER CA C 64 62.459 62.459 61.881 0.578 25443 4243 1 7 . 1 1 64 64 SER CB C 64 62.040 62.040 62.238 -0.198 25443 4244 1 7 . 1 1 64 64 SER H H 64 8.065 8.065 9.231 -1.166 25443 4245 1 7 . 1 1 65 65 THR N N 65 113.614 113.614 115.247 -1.633 25443 4246 1 7 . 1 1 65 65 THR HA H 65 3.751 3.751 4.412 -0.661 25443 4247 1 7 . 1 1 65 65 THR C C 65 175.357 175.357 177.100 -1.743 25443 4248 1 7 . 1 1 65 65 THR CA C 65 66.292 66.292 65.475 0.817 25443 4249 1 7 . 1 1 65 65 THR CB C 65 68.457 68.457 68.649 -0.192 25443 4250 1 7 . 1 1 65 65 THR H H 65 7.484 7.484 7.470 0.014 25443 4251 1 7 . 1 1 66 66 ILE N N 66 120.736 120.736 122.667 -1.931 25443 4252 1 7 . 1 1 66 66 ILE HA H 66 3.653 3.653 4.017 -0.364 25443 4253 1 7 . 1 1 66 66 ILE C C 66 177.518 177.518 178.002 -0.484 25443 4254 1 7 . 1 1 66 66 ILE CA C 66 64.014 64.014 64.638 -0.623 25443 4255 1 7 . 1 1 66 66 ILE CB C 66 42.194 42.194 37.590 4.604 25443 4256 1 7 . 1 1 66 66 ILE H H 66 6.976 6.976 7.411 -0.435 25443 4257 1 7 . 1 1 67 67 LEU N N 67 117.584 117.584 122.255 -4.671 25443 4258 1 7 . 1 1 67 67 LEU HA H 67 3.921 3.921 3.872 0.049 25443 4259 1 7 . 1 1 67 67 LEU C C 67 179.650 179.650 178.148 1.502 25443 4260 1 7 . 1 1 67 67 LEU CA C 67 57.452 57.452 58.204 -0.752 25443 4261 1 7 . 1 1 67 67 LEU CB C 67 42.172 42.172 41.887 0.285 25443 4262 1 7 . 1 1 67 67 LEU H H 67 7.006 7.006 8.391 -1.385 25443 4263 1 7 . 1 1 68 68 ALA N N 68 121.025 121.025 120.669 0.356 25443 4264 1 7 . 1 1 68 68 ALA HA H 68 3.285 3.285 3.875 -0.590 25443 4265 1 7 . 1 1 68 68 ALA C C 68 179.216 179.216 179.904 -0.688 25443 4266 1 7 . 1 1 68 68 ALA CA C 68 55.564 55.564 55.239 0.325 25443 4267 1 7 . 1 1 68 68 ALA CB C 68 18.852 18.852 18.203 0.649 25443 4268 1 7 . 1 1 68 68 ALA H H 68 8.121 8.121 8.282 -0.161 25443 4269 1 7 . 1 1 69 69 VAL N N 69 117.799 117.799 118.145 -0.346 25443 4270 1 7 . 1 1 69 69 VAL HA H 69 3.243 3.243 3.724 -0.481 25443 4271 1 7 . 1 1 69 69 VAL C C 69 178.541 178.541 178.278 0.263 25443 4272 1 7 . 1 1 69 69 VAL CA C 69 67.237 67.237 66.899 0.338 25443 4273 1 7 . 1 1 69 69 VAL CB C 69 31.679 31.679 31.365 0.314 25443 4274 1 7 . 1 1 69 69 VAL H H 69 8.012 8.012 7.772 0.240 25443 4275 1 7 . 1 1 70 70 ASP N N 70 117.013 117.013 118.588 -1.575 25443 4276 1 7 . 1 1 70 70 ASP HA H 70 4.339 4.339 4.469 -0.130 25443 4277 1 7 . 1 1 70 70 ASP C C 70 178.330 178.330 177.646 0.684 25443 4278 1 7 . 1 1 70 70 ASP CA C 70 57.131 57.131 56.744 0.387 25443 4279 1 7 . 1 1 70 70 ASP CB C 70 40.465 40.465 41.472 -1.007 25443 4280 1 7 . 1 1 70 70 ASP H H 70 8.216 8.216 8.477 -0.261 25443 4281 1 7 . 1 1 71 71 ASN N N 71 112.777 112.777 117.024 -4.247 25443 4282 1 7 . 1 1 71 71 ASN HA H 71 4.587 4.587 4.627 -0.040 25443 4283 1 7 . 1 1 71 71 ASN C C 71 176.314 176.314 177.030 -0.716 25443 4284 1 7 . 1 1 71 71 ASN CA C 71 55.474 55.474 55.349 0.125 25443 4285 1 7 . 1 1 71 71 ASN CB C 71 40.592 40.592 39.032 1.560 25443 4286 1 7 . 1 1 71 71 ASN H H 71 7.582 7.582 8.225 -0.643 25443 4287 1 7 . 1 1 72 72 LEU N N 72 116.551 116.551 116.711 -0.160 25443 4288 1 7 . 1 1 72 72 LEU HA H 72 4.494 4.494 4.295 0.199 25443 4289 1 7 . 1 1 72 72 LEU C C 72 177.500 177.500 176.421 1.079 25443 4290 1 7 . 1 1 72 72 LEU CA C 72 54.590 54.590 55.585 -0.995 25443 4291 1 7 . 1 1 72 72 LEU CB C 72 42.862 42.862 42.366 0.496 25443 4292 1 7 . 1 1 72 72 LEU H H 72 8.201 8.201 8.288 -0.087 25443 4293 1 7 . 1 1 73 73 ASN N N 73 118.974 118.974 117.883 1.091 25443 4294 1 7 . 1 1 73 73 ASN HA H 73 4.392 4.392 4.752 -0.360 25443 4295 1 7 . 1 1 73 73 ASN C C 73 177.151 177.151 176.455 0.696 25443 4296 1 7 . 1 1 73 73 ASN CA C 73 56.276 56.276 54.748 1.528 25443 4297 1 7 . 1 1 73 73 ASN CB C 73 38.853 38.853 38.489 0.364 25443 4298 1 7 . 1 1 73 73 ASN H H 73 7.406 7.406 7.648 -0.242 25443 4299 1 7 . 1 1 74 74 GLY N N 74 116.478 116.478 114.189 2.289 25443 4300 1 7 . 1 1 74 74 GLY C C 74 172.756 172.756 173.853 -1.097 25443 4301 1 7 . 1 1 74 74 GLY CA C 74 45.662 45.662 44.821 0.841 25443 4302 1 7 . 1 1 74 74 GLY H H 74 9.106 9.106 8.983 0.123 25443 4303 1 7 . 1 1 75 75 PHE N N 75 123.853 123.853 123.415 0.438 25443 4304 1 7 . 1 1 75 75 PHE HA H 75 4.328 4.328 4.446 -0.118 25443 4305 1 7 . 1 1 75 75 PHE C C 75 175.065 175.065 174.666 0.399 25443 4306 1 7 . 1 1 75 75 PHE CA C 75 58.371 58.371 57.942 0.429 25443 4307 1 7 . 1 1 75 75 PHE CB C 75 40.947 40.947 39.935 1.012 25443 4308 1 7 . 1 1 75 75 PHE H H 75 8.074 8.074 8.068 0.006 25443 4309 1 7 . 1 1 76 76 LYS N N 76 126.700 126.700 127.984 -1.284 25443 4310 1 7 . 1 1 76 76 LYS HA H 76 4.536 4.536 4.735 -0.199 25443 4311 1 7 . 1 1 76 76 LYS C C 76 175.395 175.395 175.859 -0.464 25443 4312 1 7 . 1 1 76 76 LYS CA C 76 56.227 56.227 55.213 1.014 25443 4313 1 7 . 1 1 76 76 LYS CB C 76 32.969 32.969 31.893 1.076 25443 4314 1 7 . 1 1 76 76 LYS H H 76 7.766 7.766 8.075 -0.309 25443 4315 1 7 . 1 1 77 77 ILE N N 77 120.686 120.686 124.161 -3.475 25443 4316 1 7 . 1 1 77 77 ILE HA H 77 4.231 4.231 4.161 0.070 25443 4317 1 7 . 1 1 77 77 ILE C C 77 177.605 177.605 176.417 1.188 25443 4318 1 7 . 1 1 77 77 ILE CA C 77 59.981 59.981 60.972 -0.991 25443 4319 1 7 . 1 1 77 77 ILE CB C 77 40.409 40.409 40.125 0.284 25443 4320 1 7 . 1 1 77 77 ILE H H 77 8.005 8.005 9.056 -1.051 25443 4321 1 7 . 1 1 78 78 GLY N N 78 118.352 118.352 116.429 1.923 25443 4322 1 7 . 1 1 78 78 GLY C C 78 175.639 175.639 175.199 0.440 25443 4323 1 7 . 1 1 78 78 GLY CA C 78 47.227 47.227 45.268 1.959 25443 4324 1 7 . 1 1 78 78 GLY H H 78 9.800 9.800 9.117 0.683 25443 4325 1 7 . 1 1 79 79 GLY N N 79 104.167 104.167 104.592 -0.425 25443 4326 1 7 . 1 1 79 79 GLY C C 79 173.371 173.371 174.120 -0.749 25443 4327 1 7 . 1 1 79 79 GLY CA C 79 45.037 45.037 44.880 0.156 25443 4328 1 7 . 1 1 79 79 GLY H H 79 8.795 8.795 8.322 0.473 25443 4329 1 7 . 1 1 80 80 ARG N N 80 119.090 119.090 119.296 -0.206 25443 4330 1 7 . 1 1 80 80 ARG HA H 80 4.590 4.590 4.586 0.004 25443 4331 1 7 . 1 1 80 80 ARG C C 80 174.563 174.563 173.570 0.993 25443 4332 1 7 . 1 1 80 80 ARG CA C 80 54.615 54.615 54.457 0.158 25443 4333 1 7 . 1 1 80 80 ARG CB C 80 33.487 33.487 33.577 -0.090 25443 4334 1 7 . 1 1 80 80 ARG H H 80 7.281 7.281 7.623 -0.342 25443 4335 1 7 . 1 1 81 81 ALA N N 81 126.039 126.039 124.554 1.485 25443 4336 1 7 . 1 1 81 81 ALA HA H 81 4.216 4.216 5.151 -0.935 25443 4337 1 7 . 1 1 81 81 ALA C C 81 177.149 177.149 177.047 0.102 25443 4338 1 7 . 1 1 81 81 ALA CA C 81 51.081 51.081 50.570 0.511 25443 4339 1 7 . 1 1 81 81 ALA CB C 81 19.226 19.226 20.440 -1.214 25443 4340 1 7 . 1 1 81 81 ALA H H 81 8.651 8.651 8.507 0.144 25443 4341 1 7 . 1 1 82 82 LEU N N 82 125.451 125.451 124.838 0.613 25443 4342 1 7 . 1 1 82 82 LEU HA H 82 4.390 4.390 4.378 0.012 25443 4343 1 7 . 1 1 82 82 LEU C C 82 177.498 177.498 176.574 0.924 25443 4344 1 7 . 1 1 82 82 LEU CA C 82 56.065 56.065 54.822 1.243 25443 4345 1 7 . 1 1 82 82 LEU CB C 82 43.267 43.267 42.398 0.869 25443 4346 1 7 . 1 1 82 82 LEU H H 82 8.805 8.805 8.635 0.170 25443 4347 1 7 . 1 1 83 83 LYS N N 83 123.253 123.253 125.116 -1.863 25443 4348 1 7 . 1 1 83 83 LYS C C 83 174.892 174.892 175.479 -0.587 25443 4349 1 7 . 1 1 83 83 LYS CA C 83 54.892 54.892 55.272 -0.380 25443 4350 1 7 . 1 1 83 83 LYS H H 83 7.768 7.768 8.648 -0.880 25443 4351 1 7 . 1 1 84 84 ILE N N 84 125.577 125.577 125.354 0.223 25443 4352 1 7 . 1 1 84 84 ILE HA H 84 5.581 5.581 5.284 0.297 25443 4353 1 7 . 1 1 84 84 ILE C C 84 174.901 174.901 175.425 -0.524 25443 4354 1 7 . 1 1 84 84 ILE CA C 84 58.803 58.803 58.085 0.718 25443 4355 1 7 . 1 1 84 84 ILE CB C 84 40.306 40.306 38.930 1.376 25443 4356 1 7 . 1 1 84 84 ILE H H 84 8.616 8.616 9.104 -0.488 25443 4357 1 7 . 1 1 85 85 ASP N N 85 125.373 125.373 125.903 -0.530 25443 4358 1 7 . 1 1 85 85 ASP HA H 85 4.909 4.909 5.046 -0.137 25443 4359 1 7 . 1 1 85 85 ASP C C 85 174.826 174.826 174.774 0.052 25443 4360 1 7 . 1 1 85 85 ASP CA C 85 52.372 52.372 52.153 0.219 25443 4361 1 7 . 1 1 85 85 ASP CB C 85 45.290 45.290 44.689 0.601 25443 4362 1 7 . 1 1 85 85 ASP H H 85 8.907 8.907 8.788 0.119 25443 4363 1 7 . 1 1 86 86 HIS N N 86 121.396 121.396 122.461 -1.065 25443 4364 1 7 . 1 1 86 86 HIS CA C 86 57.540 57.540 57.046 0.494 25443 4365 1 7 . 1 1 86 86 HIS CB C 86 30.985 30.985 30.455 0.530 25443 4366 1 7 . 1 1 86 86 HIS H H 86 8.970 8.970 8.901 0.069 25443 4367 1 7 . 1 1 87 87 THR N N 87 116.761 116.761 118.791 -2.030 25443 4368 1 7 . 1 1 87 87 THR HA H 87 4.652 4.652 4.693 -0.041 25443 4369 1 7 . 1 1 87 87 THR C C 87 171.272 171.272 172.719 -1.447 25443 4370 1 7 . 1 1 87 87 THR CA C 87 60.710 60.710 60.535 0.175 25443 4371 1 7 . 1 1 87 87 THR CB C 87 69.764 69.764 70.017 -0.253 25443 4372 1 7 . 1 1 87 87 THR H H 87 8.557 8.557 8.240 0.317 25443 4373 1 7 . 1 1 88 88 PHE N N 88 120.343 120.343 120.721 -0.378 25443 4374 1 7 . 1 1 88 88 PHE HA H 88 5.273 5.273 6.036 -0.763 25443 4375 1 7 . 1 1 88 88 PHE C C 88 174.288 174.288 173.787 0.501 25443 4376 1 7 . 1 1 88 88 PHE CA C 88 55.959 55.959 54.893 1.066 25443 4377 1 7 . 1 1 88 88 PHE CB C 88 41.079 41.079 41.336 -0.257 25443 4378 1 7 . 1 1 88 88 PHE H H 88 8.114 8.114 8.372 -0.258 25443 4379 1 7 . 1 1 89 89 TYR N N 89 123.043 123.043 124.294 -1.251 25443 4380 1 7 . 1 1 89 89 TYR HA H 89 4.026 4.026 4.477 -0.451 25443 4381 1 7 . 1 1 89 89 TYR C C 89 173.155 173.155 174.065 -0.910 25443 4382 1 7 . 1 1 89 89 TYR CA C 89 57.493 57.493 57.301 0.192 25443 4383 1 7 . 1 1 89 89 TYR CB C 89 39.829 39.829 41.954 -2.125 25443 4384 1 7 . 1 1 89 89 TYR H H 89 8.176 8.176 8.273 -0.097 25443 4385 1 7 . 1 1 90 90 ARG N N 90 129.004 129.004 127.718 1.286 25443 4386 1 7 . 1 1 90 90 ARG HA H 90 4.398 4.398 4.597 -0.199 25443 4387 1 7 . 1 1 90 90 ARG CA C 90 51.548 51.548 52.734 -1.186 25443 4388 1 7 . 1 1 90 90 ARG CB C 90 30.882 30.882 30.070 0.812 25443 4389 1 7 . 1 1 90 90 ARG H H 90 7.078 7.078 8.120 -1.042 25443 4390 1 7 . 1 1 91 91 PRO HA H 91 4.155 4.155 4.485 -0.330 25443 4391 1 7 . 1 1 91 91 PRO C C 91 176.340 176.340 176.147 0.193 25443 4392 1 7 . 1 1 91 91 PRO CA C 91 62.454 62.454 62.670 -0.216 25443 4393 1 7 . 1 1 91 91 PRO CB C 91 33.072 33.072 32.814 0.258 25443 4394 1 7 . 1 1 92 92 LYS N N 92 119.682 119.682 122.298 -2.616 25443 4395 1 7 . 1 1 92 92 LYS CA C 92 54.711 54.711 54.140 0.571 25443 4396 1 7 . 1 1 92 92 LYS H H 92 8.644 8.644 8.254 0.390 25443 4397 1 7 . 1 1 93 93 ARG C C 93 178.899 178.899 177.594 1.305 25443 4398 1 7 . 1 1 93 93 ARG CA C 93 59.125 59.125 58.768 0.357 25443 4399 1 7 . 1 1 94 94 SER N N 94 112.166 112.166 115.838 -3.672 25443 4400 1 7 . 1 1 94 94 SER HA H 94 4.176 4.176 4.333 -0.157 25443 4401 1 7 . 1 1 94 94 SER C C 94 175.776 175.776 175.266 0.510 25443 4402 1 7 . 1 1 94 94 SER CA C 94 60.031 60.031 60.132 -0.101 25443 4403 1 7 . 1 1 94 94 SER CB C 94 62.152 62.152 62.934 -0.782 25443 4404 1 7 . 1 1 94 94 SER H H 94 8.299 8.299 8.239 0.060 25443 4405 1 7 . 1 1 95 95 LEU N N 95 122.179 122.179 121.145 1.034 25443 4406 1 7 . 1 1 95 95 LEU HA H 95 4.651 4.651 4.401 0.250 25443 4407 1 7 . 1 1 95 95 LEU C C 95 175.381 175.381 176.324 -0.943 25443 4408 1 7 . 1 1 95 95 LEU CA C 95 53.934 53.934 53.734 0.199 25443 4409 1 7 . 1 1 95 95 LEU CB C 95 41.861 41.861 40.819 1.042 25443 4410 1 7 . 1 1 95 95 LEU H H 95 7.159 7.159 7.584 -0.425 25443 4411 1 7 . 1 1 96 96 GLN N N 96 118.834 118.834 119.773 -0.939 25443 4412 1 7 . 1 1 96 96 GLN HA H 96 4.030 4.030 4.126 -0.096 25443 4413 1 7 . 1 1 96 96 GLN C C 96 177.751 177.751 177.388 0.363 25443 4414 1 7 . 1 1 96 96 GLN CA C 96 60.705 60.705 58.952 1.753 25443 4415 1 7 . 1 1 96 96 GLN CB C 96 28.822 28.822 28.053 0.769 25443 4416 1 7 . 1 1 96 96 GLN H H 96 7.329 7.329 7.666 -0.337 25443 4417 1 7 . 1 1 97 97 LYS N N 97 116.469 116.469 120.033 -3.564 25443 4418 1 7 . 1 1 97 97 LYS HA H 97 4.060 4.060 3.953 0.107 25443 4419 1 7 . 1 1 97 97 LYS C C 97 179.164 179.164 178.651 0.513 25443 4420 1 7 . 1 1 97 97 LYS CA C 97 59.430 59.430 59.545 -0.115 25443 4421 1 7 . 1 1 97 97 LYS CB C 97 31.511 31.511 32.172 -0.661 25443 4422 1 7 . 1 1 97 97 LYS H H 97 8.614 8.614 8.132 0.482 25443 4423 1 7 . 1 1 98 98 TYR N N 98 124.165 124.165 120.826 3.339 25443 4424 1 7 . 1 1 98 98 TYR HA H 98 4.079 4.079 4.079 0.000 25443 4425 1 7 . 1 1 98 98 TYR C C 98 177.316 177.316 177.868 -0.552 25443 4426 1 7 . 1 1 98 98 TYR CA C 98 62.205 62.205 61.929 0.276 25443 4427 1 7 . 1 1 98 98 TYR CB C 98 37.162 37.162 38.601 -1.439 25443 4428 1 7 . 1 1 98 98 TYR H H 98 7.585 7.585 7.509 0.076 25443 4429 1 7 . 1 1 99 99 TYR N N 99 117.955 117.955 117.696 0.259 25443 4430 1 7 . 1 1 99 99 TYR HA H 99 5.078 5.078 4.170 0.908 25443 4431 1 7 . 1 1 99 99 TYR C C 99 180.957 180.957 178.587 2.370 25443 4432 1 7 . 1 1 99 99 TYR CA C 99 57.741 57.741 59.799 -2.058 25443 4433 1 7 . 1 1 99 99 TYR CB C 99 37.083 37.083 37.330 -0.247 25443 4434 1 7 . 1 1 99 99 TYR H H 99 8.660 8.660 7.603 1.057 25443 4435 1 7 . 1 1 100 100 GLU N N 100 118.796 118.796 118.300 0.496 25443 4436 1 7 . 1 1 100 100 GLU HA H 100 4.024 4.024 3.957 0.067 25443 4437 1 7 . 1 1 100 100 GLU C C 100 178.571 178.571 179.036 -0.465 25443 4438 1 7 . 1 1 100 100 GLU CA C 100 59.400 59.400 59.159 0.241 25443 4439 1 7 . 1 1 100 100 GLU CB C 100 29.660 29.660 29.012 0.648 25443 4440 1 7 . 1 1 100 100 GLU H H 100 8.263 8.263 8.516 -0.253 25443 4441 1 7 . 1 1 101 101 ALA N N 101 123.346 123.346 122.764 0.582 25443 4442 1 7 . 1 1 101 101 ALA HA H 101 4.244 4.244 4.038 0.206 25443 4443 1 7 . 1 1 101 101 ALA C C 101 181.331 181.331 179.984 1.347 25443 4444 1 7 . 1 1 101 101 ALA CA C 101 54.851 54.851 55.203 -0.352 25443 4445 1 7 . 1 1 101 101 ALA CB C 101 18.559 18.559 18.090 0.469 25443 4446 1 7 . 1 1 101 101 ALA H H 101 7.966 7.966 7.798 0.168 25443 4447 1 7 . 1 1 102 102 VAL N N 102 120.241 120.241 118.691 1.550 25443 4448 1 7 . 1 1 102 102 VAL HA H 102 3.713 3.713 3.499 0.214 25443 4449 1 7 . 1 1 102 102 VAL C C 102 176.967 176.967 177.924 -0.957 25443 4450 1 7 . 1 1 102 102 VAL CA C 102 67.433 67.433 66.395 1.038 25443 4451 1 7 . 1 1 102 102 VAL CB C 102 31.721 31.721 30.771 0.950 25443 4452 1 7 . 1 1 102 102 VAL H H 102 8.331 8.331 8.064 0.267 25443 4453 1 7 . 1 1 103 103 LYS N N 103 120.001 120.001 120.467 -0.466 25443 4454 1 7 . 1 1 103 103 LYS HA H 103 3.859 3.859 3.919 -0.060 25443 4455 1 7 . 1 1 103 103 LYS C C 103 178.500 178.500 178.633 -0.133 25443 4456 1 7 . 1 1 103 103 LYS CA C 103 59.652 59.652 60.122 -0.470 25443 4457 1 7 . 1 1 103 103 LYS CB C 103 32.040 32.040 32.502 -0.462 25443 4458 1 7 . 1 1 103 103 LYS H H 103 8.201 8.201 8.189 0.012 25443 4459 1 7 . 1 1 104 104 GLU N N 104 116.335 116.335 117.121 -0.786 25443 4460 1 7 . 1 1 104 104 GLU HA H 104 3.928 3.928 4.059 -0.131 25443 4461 1 7 . 1 1 104 104 GLU C C 104 178.645 178.645 179.023 -0.378 25443 4462 1 7 . 1 1 104 104 GLU CA C 104 59.110 59.110 58.953 0.157 25443 4463 1 7 . 1 1 104 104 GLU CB C 104 29.607 29.607 29.126 0.481 25443 4464 1 7 . 1 1 104 104 GLU H H 104 7.909 7.909 8.398 -0.489 25443 4465 1 7 . 1 1 105 105 GLU N N 105 119.210 119.210 121.247 -2.037 25443 4466 1 7 . 1 1 105 105 GLU HA H 105 3.844 3.844 4.083 -0.239 25443 4467 1 7 . 1 1 105 105 GLU C C 105 178.613 178.613 178.982 -0.369 25443 4468 1 7 . 1 1 105 105 GLU CA C 105 58.162 58.162 58.954 -0.792 25443 4469 1 7 . 1 1 105 105 GLU CB C 105 29.754 29.754 29.465 0.288 25443 4470 1 7 . 1 1 105 105 GLU H H 105 7.257 7.257 7.896 -0.639 25443 4471 1 7 . 1 1 106 106 LEU N N 106 117.408 117.408 116.950 0.458 25443 4472 1 7 . 1 1 106 106 LEU HA H 106 3.976 3.976 4.103 -0.127 25443 4473 1 7 . 1 1 106 106 LEU C C 106 178.646 178.646 178.731 -0.085 25443 4474 1 7 . 1 1 106 106 LEU CA C 106 56.699 56.699 58.004 -1.305 25443 4475 1 7 . 1 1 106 106 LEU CB C 106 40.455 40.455 41.162 -0.707 25443 4476 1 7 . 1 1 106 106 LEU H H 106 8.169 8.169 7.856 0.313 25443 4477 1 7 . 1 1 107 107 ASP N N 107 119.073 119.073 120.017 -0.944 25443 4478 1 7 . 1 1 107 107 ASP HA H 107 4.521 4.521 4.276 0.245 25443 4479 1 7 . 1 1 107 107 ASP C C 107 177.069 177.069 178.418 -1.349 25443 4480 1 7 . 1 1 107 107 ASP CA C 107 55.099 55.099 57.998 -2.899 25443 4481 1 7 . 1 1 107 107 ASP CB C 107 40.670 40.670 40.875 -0.205 25443 4482 1 7 . 1 1 107 107 ASP H H 107 8.003 8.003 8.179 -0.176 25443 4483 1 7 . 1 1 108 108 ARG N N 108 120.705 120.705 118.305 2.400 25443 4484 1 7 . 1 1 108 108 ARG HA H 108 4.067 4.067 4.085 -0.018 25443 4485 1 7 . 1 1 108 108 ARG C C 108 176.990 176.990 178.114 -1.124 25443 4486 1 7 . 1 1 108 108 ARG CA C 108 57.517 57.517 58.895 -1.378 25443 4487 1 7 . 1 1 108 108 ARG CB C 108 30.407 30.407 30.326 0.081 25443 4488 1 7 . 1 1 108 108 ARG H H 108 7.603 7.603 7.542 0.061 25443 4489 1 7 . 1 1 109 109 ASP N N 109 120.246 120.246 119.702 0.544 25443 4490 1 7 . 1 1 109 109 ASP HA H 109 4.521 4.521 4.434 0.087 25443 4491 1 7 . 1 1 109 109 ASP C C 109 176.630 176.630 178.239 -1.609 25443 4492 1 7 . 1 1 109 109 ASP CA C 109 55.028 55.028 56.940 -1.912 25443 4493 1 7 . 1 1 109 109 ASP CB C 109 40.936 40.936 40.837 0.099 25443 4494 1 7 . 1 1 109 109 ASP H H 109 8.226 8.226 7.586 0.640 25443 4495 1 7 . 1 1 110 110 ILE N N 110 120.386 120.386 118.801 1.585 25443 4496 1 7 . 1 1 110 110 ILE HA H 110 3.987 3.987 3.874 0.113 25443 4497 1 7 . 1 1 110 110 ILE C C 110 176.996 176.996 177.270 -0.274 25443 4498 1 7 . 1 1 110 110 ILE CA C 110 62.241 62.241 63.464 -1.223 25443 4499 1 7 . 1 1 110 110 ILE CB C 110 38.359 38.359 38.580 -0.221 25443 4500 1 7 . 1 1 110 110 ILE H H 110 7.863 7.863 8.202 -0.339 25443 4501 1 7 . 1 1 111 111 VAL N N 111 122.548 122.548 114.309 8.239 25443 4502 1 7 . 1 1 111 111 VAL HA H 111 3.946 3.946 3.534 0.412 25443 4503 1 7 . 1 1 111 111 VAL C C 111 176.938 176.938 176.306 0.632 25443 4504 1 7 . 1 1 111 111 VAL CA C 111 63.499 63.499 65.033 -1.534 25443 4505 1 7 . 1 1 111 111 VAL CB C 111 32.223 32.223 30.249 1.974 25443 4506 1 7 . 1 1 111 111 VAL H H 111 8.016 8.016 7.697 0.319 25443 4507 1 7 . 1 1 112 112 SER N N 112 117.984 117.984 117.928 0.056 25443 4508 1 7 . 1 1 112 112 SER HA H 112 4.317 4.317 4.556 -0.239 25443 4509 1 7 . 1 1 112 112 SER C C 112 175.154 175.154 174.409 0.745 25443 4510 1 7 . 1 1 112 112 SER CA C 112 59.025 59.025 58.588 0.437 25443 4511 1 7 . 1 1 112 112 SER CB C 112 63.419 63.419 62.190 1.229 25443 4512 1 7 . 1 1 112 112 SER H H 112 8.187 8.187 8.006 0.181 25443 4513 1 7 . 1 1 113 113 LYS N N 113 122.727 122.727 123.129 -0.402 25443 4514 1 7 . 1 1 113 113 LYS HA H 113 4.209 4.209 4.086 0.123 25443 4515 1 7 . 1 1 113 113 LYS C C 113 176.713 176.713 176.671 0.042 25443 4516 1 7 . 1 1 113 113 LYS CA C 113 56.844 56.844 58.565 -1.721 25443 4517 1 7 . 1 1 113 113 LYS CB C 113 32.794 32.794 32.326 0.468 25443 4518 1 7 . 1 1 113 113 LYS H H 113 8.152 8.152 7.675 0.477 25443 4519 1 7 . 1 1 114 114 ASN N N 114 118.886 118.886 119.742 -0.856 25443 4520 1 7 . 1 1 114 114 ASN C C 114 175.227 175.227 175.170 0.057 25443 4521 1 7 . 1 1 114 114 ASN CA C 114 53.549 53.549 53.303 0.246 25443 4522 1 7 . 1 1 114 114 ASN H H 114 8.261 8.261 8.189 0.072 25443 4523 1 7 . 1 1 115 115 ASN N N 115 119.345 119.345 119.623 -0.278 25443 4524 1 7 . 1 1 115 115 ASN C C 115 174.896 174.896 175.078 -0.182 25443 4525 1 7 . 1 1 115 115 ASN CA C 115 53.476 53.476 53.640 -0.164 25443 4526 1 7 . 1 1 115 115 ASN H H 115 8.257 8.257 8.582 -0.325 25443 4527 1 7 . 1 1 116 116 ALA N N 116 123.669 123.669 122.749 0.920 25443 4528 1 7 . 1 1 116 116 ALA HA H 116 4.254 4.254 4.407 -0.153 25443 4529 1 7 . 1 1 116 116 ALA C C 116 177.567 177.567 175.304 2.263 25443 4530 1 7 . 1 1 116 116 ALA CA C 116 52.678 52.678 51.933 0.745 25443 4531 1 7 . 1 1 116 116 ALA CB C 116 19.243 19.243 20.205 -0.962 25443 4532 1 7 . 1 1 116 116 ALA H H 116 8.094 8.094 7.776 0.318 25443 4533 1 7 . 1 1 117 117 GLU N N 117 120.083 120.083 123.763 -3.680 25443 4534 1 7 . 1 1 117 117 GLU C C 117 175.564 175.564 176.616 -1.052 25443 4535 1 7 . 1 1 117 117 GLU CA C 117 56.602 56.602 56.502 0.100 25443 4536 1 7 . 1 1 117 117 GLU H H 117 8.221 8.221 8.651 -0.430 25443 4537 1 8 . 1 1 2 2 ALA HA H 2 4.286 4.286 4.783 -0.497 25443 4538 1 8 . 1 1 2 2 ALA C C 2 177.853 177.853 177.449 0.404 25443 4539 1 8 . 1 1 2 2 ALA CA C 2 52.661 52.661 51.650 1.011 25443 4540 1 8 . 1 1 2 2 ALA CB C 2 19.308 19.308 19.877 -0.569 25443 4541 1 8 . 1 1 3 3 MET N N 3 119.404 119.404 119.669 -0.265 25443 4542 1 8 . 1 1 3 3 MET HA H 3 4.435 4.435 4.529 -0.094 25443 4543 1 8 . 1 1 3 3 MET C C 3 176.731 176.731 176.602 0.129 25443 4544 1 8 . 1 1 3 3 MET CA C 3 55.503 55.503 55.444 0.059 25443 4545 1 8 . 1 1 3 3 MET CB C 3 32.795 32.795 32.698 0.097 25443 4546 1 8 . 1 1 3 3 MET H H 3 8.530 8.530 8.322 0.208 25443 4547 1 8 . 1 1 4 4 GLY N N 4 109.968 109.968 108.926 1.042 25443 4548 1 8 . 1 1 4 4 GLY C C 4 174.057 174.057 174.255 -0.198 25443 4549 1 8 . 1 1 4 4 GLY CA C 4 45.363 45.363 44.574 0.789 25443 4550 1 8 . 1 1 4 4 GLY H H 4 8.414 8.414 8.016 0.398 25443 4551 1 8 . 1 1 5 5 ASN N N 5 118.659 118.659 122.068 -3.409 25443 4552 1 8 . 1 1 5 5 ASN HA H 5 4.606 4.606 4.586 0.020 25443 4553 1 8 . 1 1 5 5 ASN C C 5 175.443 175.443 176.568 -1.125 25443 4554 1 8 . 1 1 5 5 ASN CA C 5 53.530 53.530 54.559 -1.029 25443 4555 1 8 . 1 1 5 5 ASN CB C 5 38.876 38.876 39.087 -0.212 25443 4556 1 8 . 1 1 5 5 ASN H H 5 8.326 8.326 8.780 -0.454 25443 4557 1 8 . 1 1 6 6 GLU N N 6 120.909 120.909 119.902 1.007 25443 4558 1 8 . 1 1 6 6 GLU HA H 6 4.097 4.097 3.997 0.100 25443 4559 1 8 . 1 1 6 6 GLU C C 6 176.261 176.261 176.380 -0.119 25443 4560 1 8 . 1 1 6 6 GLU CA C 6 57.171 57.171 59.008 -1.837 25443 4561 1 8 . 1 1 6 6 GLU CB C 6 29.715 29.715 28.857 0.858 25443 4562 1 8 . 1 1 6 6 GLU H H 6 8.633 8.633 8.578 0.055 25443 4563 1 8 . 1 1 7 7 TYR N N 7 120.283 120.283 117.958 2.325 25443 4564 1 8 . 1 1 7 7 TYR HA H 7 4.440 4.440 5.042 -0.602 25443 4565 1 8 . 1 1 7 7 TYR C C 7 175.789 175.789 175.750 0.039 25443 4566 1 8 . 1 1 7 7 TYR CA C 7 58.061 58.061 56.950 1.111 25443 4567 1 8 . 1 1 7 7 TYR CB C 7 38.193 38.193 36.838 1.355 25443 4568 1 8 . 1 1 7 7 TYR H H 7 8.069 8.069 7.764 0.305 25443 4569 1 8 . 1 1 8 8 LYS N N 8 121.780 121.780 124.685 -2.905 25443 4570 1 8 . 1 1 8 8 LYS HA H 8 4.107 4.107 4.209 -0.102 25443 4571 1 8 . 1 1 8 8 LYS C C 8 175.970 175.970 176.196 -0.226 25443 4572 1 8 . 1 1 8 8 LYS CA C 8 56.550 56.550 57.004 -0.454 25443 4573 1 8 . 1 1 8 8 LYS CB C 8 33.141 33.141 32.215 0.926 25443 4574 1 8 . 1 1 8 8 LYS H H 8 7.868 7.868 7.939 -0.071 25443 4575 1 8 . 1 1 9 9 ASP N N 9 119.825 119.825 124.573 -4.748 25443 4576 1 8 . 1 1 9 9 ASP HA H 9 4.577 4.577 4.688 -0.111 25443 4577 1 8 . 1 1 9 9 ASP C C 9 175.979 175.979 176.599 -0.620 25443 4578 1 8 . 1 1 9 9 ASP CA C 9 54.608 54.608 56.056 -1.448 25443 4579 1 8 . 1 1 9 9 ASP CB C 9 41.455 41.455 41.711 -0.256 25443 4580 1 8 . 1 1 9 9 ASP H H 9 8.164 8.164 8.564 -0.400 25443 4581 1 8 . 1 1 10 10 ASN N N 10 119.410 119.410 116.833 2.577 25443 4582 1 8 . 1 1 10 10 ASN HA H 10 4.935 4.935 4.917 0.018 25443 4583 1 8 . 1 1 10 10 ASN C C 10 174.654 174.654 174.413 0.241 25443 4584 1 8 . 1 1 10 10 ASN CA C 10 52.792 52.792 53.122 -0.330 25443 4585 1 8 . 1 1 10 10 ASN CB C 10 38.554 38.554 38.918 -0.364 25443 4586 1 8 . 1 1 10 10 ASN H H 10 8.284 8.284 8.215 0.069 25443 4587 1 8 . 1 1 11 11 ALA N N 11 122.716 122.716 122.492 0.224 25443 4588 1 8 . 1 1 11 11 ALA HA H 11 4.521 4.521 4.336 0.185 25443 4589 1 8 . 1 1 11 11 ALA CA C 11 53.148 53.148 52.413 0.735 25443 4590 1 8 . 1 1 11 11 ALA CB C 11 19.223 19.223 17.865 1.358 25443 4591 1 8 . 1 1 11 11 ALA H H 11 8.260 8.260 7.781 0.479 25443 4592 1 8 . 1 1 12 12 TYR HA H 12 4.943 4.943 5.384 -0.441 25443 4593 1 8 . 1 1 12 12 TYR C C 12 177.075 177.075 174.720 2.355 25443 4594 1 8 . 1 1 12 12 TYR CA C 12 57.314 57.314 56.640 0.674 25443 4595 1 8 . 1 1 12 12 TYR CB C 12 42.614 42.614 43.342 -0.728 25443 4596 1 8 . 1 1 13 13 ILE N N 13 114.211 114.211 116.740 -2.529 25443 4597 1 8 . 1 1 13 13 ILE HA H 13 4.981 4.981 5.095 -0.114 25443 4598 1 8 . 1 1 13 13 ILE C C 13 174.500 174.500 174.261 0.239 25443 4599 1 8 . 1 1 13 13 ILE CA C 13 60.380 60.380 59.348 1.032 25443 4600 1 8 . 1 1 13 13 ILE CB C 13 39.792 39.792 41.181 -1.389 25443 4601 1 8 . 1 1 13 13 ILE H H 13 9.358 9.358 8.704 0.654 25443 4602 1 8 . 1 1 14 14 TYR N N 14 124.891 124.891 128.145 -3.254 25443 4603 1 8 . 1 1 14 14 TYR HA H 14 4.579 4.579 4.783 -0.204 25443 4604 1 8 . 1 1 14 14 TYR C C 14 173.192 173.192 173.909 -0.717 25443 4605 1 8 . 1 1 14 14 TYR CA C 14 56.202 56.202 57.554 -1.352 25443 4606 1 8 . 1 1 14 14 TYR CB C 14 40.163 40.163 39.867 0.296 25443 4607 1 8 . 1 1 14 14 TYR H H 14 9.163 9.163 9.036 0.127 25443 4608 1 8 . 1 1 15 15 ILE N N 15 127.801 127.801 126.859 0.942 25443 4609 1 8 . 1 1 15 15 ILE HA H 15 4.210 4.210 4.676 -0.466 25443 4610 1 8 . 1 1 15 15 ILE C C 15 173.823 173.823 175.791 -1.968 25443 4611 1 8 . 1 1 15 15 ILE CA C 15 59.616 59.616 59.715 -0.099 25443 4612 1 8 . 1 1 15 15 ILE CB C 15 39.735 39.735 40.163 -0.428 25443 4613 1 8 . 1 1 15 15 ILE H H 15 8.569 8.569 8.342 0.227 25443 4614 1 8 . 1 1 16 16 GLY N N 16 112.441 112.441 112.567 -0.126 25443 4615 1 8 . 1 1 16 16 GLY C C 16 173.159 173.159 173.587 -0.428 25443 4616 1 8 . 1 1 16 16 GLY CA C 16 43.244 43.244 43.745 -0.501 25443 4617 1 8 . 1 1 16 16 GLY H H 16 9.354 9.354 7.998 1.356 25443 4618 1 8 . 1 1 17 17 ASN N N 17 114.797 114.797 118.460 -3.663 25443 4619 1 8 . 1 1 17 17 ASN HA H 17 4.347 4.347 4.618 -0.271 25443 4620 1 8 . 1 1 17 17 ASN C C 17 174.834 174.834 174.917 -0.083 25443 4621 1 8 . 1 1 17 17 ASN CA C 17 53.214 53.214 54.005 -0.791 25443 4622 1 8 . 1 1 17 17 ASN CB C 17 37.826 37.826 37.945 -0.119 25443 4623 1 8 . 1 1 17 17 ASN H H 17 8.552 8.552 8.511 0.041 25443 4624 1 8 . 1 1 18 18 LEU N N 18 114.526 114.526 125.921 -11.395 25443 4625 1 8 . 1 1 18 18 LEU HA H 18 3.994 3.994 4.546 -0.552 25443 4626 1 8 . 1 1 18 18 LEU C C 18 177.948 177.948 176.488 1.460 25443 4627 1 8 . 1 1 18 18 LEU CA C 18 53.772 53.772 53.192 0.580 25443 4628 1 8 . 1 1 18 18 LEU CB C 18 42.385 42.385 43.912 -1.527 25443 4629 1 8 . 1 1 18 18 LEU H H 18 7.743 7.743 8.319 -0.576 25443 4630 1 8 . 1 1 19 19 ASN N N 19 122.718 122.718 117.510 5.208 25443 4631 1 8 . 1 1 19 19 ASN HA H 19 4.302 4.302 4.754 -0.452 25443 4632 1 8 . 1 1 19 19 ASN C C 19 178.040 178.040 176.740 1.300 25443 4633 1 8 . 1 1 19 19 ASN CA C 19 54.421 54.421 53.542 0.879 25443 4634 1 8 . 1 1 19 19 ASN CB C 19 38.580 38.580 38.951 -0.371 25443 4635 1 8 . 1 1 19 19 ASN H H 19 8.758 8.758 8.489 0.269 25443 4636 1 8 . 1 1 20 20 ARG N N 20 128.821 128.821 123.828 4.993 25443 4637 1 8 . 1 1 20 20 ARG HA H 20 3.790 3.790 4.022 -0.232 25443 4638 1 8 . 1 1 20 20 ARG C C 20 175.566 175.566 176.463 -0.897 25443 4639 1 8 . 1 1 20 20 ARG CA C 20 58.775 58.775 58.832 -0.057 25443 4640 1 8 . 1 1 20 20 ARG CB C 20 29.642 29.642 30.408 -0.766 25443 4641 1 8 . 1 1 20 20 ARG H H 20 8.997 8.997 8.779 0.218 25443 4642 1 8 . 1 1 21 21 GLU N N 21 117.438 117.438 116.391 1.047 25443 4643 1 8 . 1 1 21 21 GLU HA H 21 4.214 4.214 4.241 -0.027 25443 4644 1 8 . 1 1 21 21 GLU C C 21 177.076 177.076 175.924 1.152 25443 4645 1 8 . 1 1 21 21 GLU CA C 21 56.677 56.677 56.005 0.672 25443 4646 1 8 . 1 1 21 21 GLU CB C 21 30.451 30.451 29.237 1.214 25443 4647 1 8 . 1 1 21 21 GLU H H 21 9.043 9.043 8.266 0.777 25443 4648 1 8 . 1 1 22 22 LEU N N 22 116.311 116.311 123.924 -7.613 25443 4649 1 8 . 1 1 22 22 LEU HA H 22 4.491 4.491 4.390 0.101 25443 4650 1 8 . 1 1 22 22 LEU C C 22 178.389 178.389 175.800 2.589 25443 4651 1 8 . 1 1 22 22 LEU CA C 22 55.496 55.496 54.599 0.897 25443 4652 1 8 . 1 1 22 22 LEU CB C 22 42.148 42.148 42.392 -0.244 25443 4653 1 8 . 1 1 22 22 LEU H H 22 7.183 7.183 7.243 -0.060 25443 4654 1 8 . 1 1 23 23 THR N N 23 113.850 113.850 117.936 -4.086 25443 4655 1 8 . 1 1 23 23 THR HA H 23 4.289 4.289 4.537 -0.248 25443 4656 1 8 . 1 1 23 23 THR C C 23 175.229 175.229 175.894 -0.665 25443 4657 1 8 . 1 1 23 23 THR CA C 23 59.895 59.895 60.576 -0.681 25443 4658 1 8 . 1 1 23 23 THR CB C 23 71.989 71.989 70.631 1.358 25443 4659 1 8 . 1 1 23 23 THR H H 23 8.743 8.743 7.847 0.896 25443 4660 1 8 . 1 1 24 24 GLU N N 24 119.724 119.724 121.688 -1.964 25443 4661 1 8 . 1 1 24 24 GLU HA H 24 3.591 3.591 4.054 -0.463 25443 4662 1 8 . 1 1 24 24 GLU C C 24 178.597 178.597 178.798 -0.201 25443 4663 1 8 . 1 1 24 24 GLU CA C 24 63.490 63.490 59.754 3.736 25443 4664 1 8 . 1 1 24 24 GLU CB C 24 27.433 27.433 29.211 -1.778 25443 4665 1 8 . 1 1 24 24 GLU H H 24 9.641 9.641 8.940 0.701 25443 4666 1 8 . 1 1 25 25 GLY N N 25 104.430 104.430 107.931 -3.501 25443 4667 1 8 . 1 1 25 25 GLY C C 25 175.425 175.425 176.195 -0.770 25443 4668 1 8 . 1 1 25 25 GLY CA C 25 47.334 47.334 46.960 0.374 25443 4669 1 8 . 1 1 25 25 GLY H H 25 8.423 8.423 8.474 -0.051 25443 4670 1 8 . 1 1 26 26 ASP N N 26 123.128 123.128 123.474 -0.346 25443 4671 1 8 . 1 1 26 26 ASP HA H 26 4.530 4.530 4.441 0.089 25443 4672 1 8 . 1 1 26 26 ASP C C 26 177.878 177.878 178.518 -0.640 25443 4673 1 8 . 1 1 26 26 ASP CA C 26 57.429 57.429 57.953 -0.524 25443 4674 1 8 . 1 1 26 26 ASP CB C 26 41.612 41.612 40.702 0.910 25443 4675 1 8 . 1 1 26 26 ASP H H 26 7.859 7.859 7.623 0.236 25443 4676 1 8 . 1 1 27 27 ILE N N 27 118.864 118.864 120.054 -1.190 25443 4677 1 8 . 1 1 27 27 ILE HA H 27 3.534 3.534 3.721 -0.187 25443 4678 1 8 . 1 1 27 27 ILE C C 27 178.225 178.225 178.034 0.191 25443 4679 1 8 . 1 1 27 27 ILE CA C 27 65.627 65.627 65.175 0.452 25443 4680 1 8 . 1 1 27 27 ILE CB C 27 37.614 37.614 38.072 -0.458 25443 4681 1 8 . 1 1 27 27 ILE H H 27 8.055 8.055 7.774 0.281 25443 4682 1 8 . 1 1 28 28 LEU N N 28 119.416 119.416 120.147 -0.731 25443 4683 1 8 . 1 1 28 28 LEU HA H 28 3.861 3.861 4.219 -0.358 25443 4684 1 8 . 1 1 28 28 LEU C C 28 179.884 179.884 178.949 0.935 25443 4685 1 8 . 1 1 28 28 LEU CA C 28 58.758 58.758 58.154 0.604 25443 4686 1 8 . 1 1 28 28 LEU CB C 28 41.137 41.137 41.544 -0.407 25443 4687 1 8 . 1 1 28 28 LEU H H 28 8.423 8.423 8.176 0.247 25443 4688 1 8 . 1 1 29 29 THR N N 29 119.586 119.586 116.502 3.084 25443 4689 1 8 . 1 1 29 29 THR HA H 29 3.790 3.790 4.058 -0.268 25443 4690 1 8 . 1 1 29 29 THR C C 29 176.530 176.530 176.416 0.114 25443 4691 1 8 . 1 1 29 29 THR CA C 29 67.322 67.322 66.587 0.735 25443 4692 1 8 . 1 1 29 29 THR CB C 29 68.372 68.372 68.497 -0.125 25443 4693 1 8 . 1 1 29 29 THR H H 29 8.552 8.552 7.983 0.569 25443 4694 1 8 . 1 1 30 30 VAL N N 30 119.948 119.948 120.196 -0.248 25443 4695 1 8 . 1 1 30 30 VAL HA H 30 3.601 3.601 3.660 -0.059 25443 4696 1 8 . 1 1 30 30 VAL C C 30 178.670 178.670 178.391 0.279 25443 4697 1 8 . 1 1 30 30 VAL CA C 30 66.081 66.081 65.997 0.084 25443 4698 1 8 . 1 1 30 30 VAL CB C 30 32.993 32.993 31.196 1.797 25443 4699 1 8 . 1 1 30 30 VAL H H 30 7.959 7.959 7.809 0.150 25443 4700 1 8 . 1 1 31 31 PHE N N 31 113.636 113.636 118.679 -5.043 25443 4701 1 8 . 1 1 31 31 PHE HA H 31 4.006 4.006 4.614 -0.608 25443 4702 1 8 . 1 1 31 31 PHE C C 31 180.133 180.133 178.106 2.027 25443 4703 1 8 . 1 1 31 31 PHE CA C 31 62.266 62.266 61.118 1.147 25443 4704 1 8 . 1 1 31 31 PHE CB C 31 37.711 37.711 38.622 -0.911 25443 4705 1 8 . 1 1 31 31 PHE H H 31 8.726 8.726 8.020 0.706 25443 4706 1 8 . 1 1 32 32 SER N N 32 119.746 119.746 115.218 4.528 25443 4707 1 8 . 1 1 32 32 SER HA H 32 5.107 5.107 4.307 0.800 25443 4708 1 8 . 1 1 32 32 SER C C 32 173.450 173.450 176.582 -3.132 25443 4709 1 8 . 1 1 32 32 SER CA C 32 61.440 61.440 61.506 -0.066 25443 4710 1 8 . 1 1 32 32 SER CB C 32 62.690 62.690 62.582 0.108 25443 4711 1 8 . 1 1 32 32 SER H H 32 8.564 8.564 8.470 0.094 25443 4712 1 8 . 1 1 33 33 GLU N N 33 118.689 118.689 122.029 -3.340 25443 4713 1 8 . 1 1 33 33 GLU HA H 33 3.854 3.854 4.099 -0.245 25443 4714 1 8 . 1 1 33 33 GLU C C 33 176.471 176.471 176.995 -0.524 25443 4715 1 8 . 1 1 33 33 GLU CA C 33 57.997 57.997 57.749 0.248 25443 4716 1 8 . 1 1 33 33 GLU CB C 33 29.503 29.503 28.607 0.896 25443 4717 1 8 . 1 1 33 33 GLU H H 33 6.733 6.733 7.704 -0.971 25443 4718 1 8 . 1 1 34 34 TYR N N 34 111.313 111.313 117.792 -6.479 25443 4719 1 8 . 1 1 34 34 TYR HA H 34 4.469 4.469 4.497 -0.028 25443 4720 1 8 . 1 1 34 34 TYR C C 34 174.351 174.351 176.715 -2.364 25443 4721 1 8 . 1 1 34 34 TYR CA C 34 57.940 57.940 58.357 -0.417 25443 4722 1 8 . 1 1 34 34 TYR CB C 34 39.557 39.557 38.512 1.045 25443 4723 1 8 . 1 1 34 34 TYR H H 34 6.662 6.662 7.585 -0.923 25443 4724 1 8 . 1 1 35 35 GLY N N 35 106.055 106.055 107.070 -1.015 25443 4725 1 8 . 1 1 35 35 GLY C C 35 170.709 170.709 174.153 -3.444 25443 4726 1 8 . 1 1 35 35 GLY CA C 35 45.230 45.230 45.771 -0.541 25443 4727 1 8 . 1 1 35 35 GLY H H 35 7.302 7.302 7.773 -0.471 25443 4728 1 8 . 1 1 36 36 VAL N N 36 121.596 121.596 120.985 0.611 25443 4729 1 8 . 1 1 36 36 VAL HA H 36 4.492 4.492 4.379 0.113 25443 4730 1 8 . 1 1 36 36 VAL CA C 36 59.912 59.912 59.030 0.882 25443 4731 1 8 . 1 1 36 36 VAL CB C 36 33.632 33.632 33.081 0.551 25443 4732 1 8 . 1 1 36 36 VAL H H 36 8.595 8.595 7.770 0.825 25443 4733 1 8 . 1 1 37 37 PRO HA H 37 4.499 4.499 4.675 -0.176 25443 4734 1 8 . 1 1 37 37 PRO C C 37 176.150 176.150 176.002 0.148 25443 4735 1 8 . 1 1 37 37 PRO CA C 37 62.320 62.320 62.395 -0.075 25443 4736 1 8 . 1 1 37 37 PRO CB C 37 31.945 31.945 31.676 0.269 25443 4737 1 8 . 1 1 38 38 VAL N N 38 114.135 114.135 122.515 -8.380 25443 4738 1 8 . 1 1 38 38 VAL HA H 38 4.436 4.436 4.469 -0.033 25443 4739 1 8 . 1 1 38 38 VAL C C 38 175.124 175.124 175.316 -0.192 25443 4740 1 8 . 1 1 38 38 VAL CA C 38 60.488 60.488 59.074 1.414 25443 4741 1 8 . 1 1 38 38 VAL CB C 38 32.560 32.560 34.442 -1.882 25443 4742 1 8 . 1 1 38 38 VAL H H 38 9.006 9.006 8.055 0.951 25443 4743 1 8 . 1 1 39 39 ASP N N 39 118.095 118.095 121.284 -3.189 25443 4744 1 8 . 1 1 39 39 ASP HA H 39 4.626 4.626 4.503 0.123 25443 4745 1 8 . 1 1 39 39 ASP C C 39 174.577 174.577 175.210 -0.633 25443 4746 1 8 . 1 1 39 39 ASP CA C 39 54.706 54.706 55.119 -0.413 25443 4747 1 8 . 1 1 39 39 ASP CB C 39 43.495 43.495 41.944 1.551 25443 4748 1 8 . 1 1 39 39 ASP H H 39 7.454 7.454 8.285 -0.831 25443 4749 1 8 . 1 1 40 40 VAL N N 40 121.566 121.566 120.986 0.580 25443 4750 1 8 . 1 1 40 40 VAL HA H 40 4.897 4.897 4.426 0.471 25443 4751 1 8 . 1 1 40 40 VAL C C 40 170.928 170.928 174.682 -3.754 25443 4752 1 8 . 1 1 40 40 VAL CA C 40 60.729 60.729 60.871 -0.142 25443 4753 1 8 . 1 1 40 40 VAL CB C 40 34.373 34.373 35.470 -1.097 25443 4754 1 8 . 1 1 40 40 VAL H H 40 7.576 7.576 8.404 -0.828 25443 4755 1 8 . 1 1 41 41 ILE N N 41 125.247 125.247 128.417 -3.170 25443 4756 1 8 . 1 1 41 41 ILE HA H 41 4.752 4.752 4.590 0.162 25443 4757 1 8 . 1 1 41 41 ILE C C 41 175.440 175.440 173.802 1.638 25443 4758 1 8 . 1 1 41 41 ILE CA C 41 61.609 61.609 60.640 0.969 25443 4759 1 8 . 1 1 41 41 ILE H H 41 8.929 8.929 9.097 -0.168 25443 4760 1 8 . 1 1 42 42 LEU N N 42 128.791 128.791 129.716 -0.925 25443 4761 1 8 . 1 1 42 42 LEU HA H 42 4.387 4.387 4.736 -0.349 25443 4762 1 8 . 1 1 42 42 LEU C C 42 174.979 174.979 175.549 -0.570 25443 4763 1 8 . 1 1 42 42 LEU CA C 42 53.345 53.345 53.203 0.142 25443 4764 1 8 . 1 1 42 42 LEU CB C 42 43.298 43.298 45.317 -2.019 25443 4765 1 8 . 1 1 42 42 LEU H H 42 8.309 8.309 9.004 -0.695 25443 4766 1 8 . 1 1 43 43 SER N N 43 122.753 122.753 121.684 1.069 25443 4767 1 8 . 1 1 43 43 SER HA H 43 3.821 3.821 4.380 -0.559 25443 4768 1 8 . 1 1 43 43 SER C C 43 173.870 173.870 173.677 0.193 25443 4769 1 8 . 1 1 43 43 SER CA C 43 59.707 59.707 58.039 1.668 25443 4770 1 8 . 1 1 43 43 SER CB C 43 62.714 62.714 62.847 -0.133 25443 4771 1 8 . 1 1 43 43 SER H H 43 8.317 8.317 8.231 0.086 25443 4772 1 8 . 1 1 44 44 ARG N N 44 128.068 128.068 125.599 2.469 25443 4773 1 8 . 1 1 44 44 ARG HA H 44 4.763 4.763 4.824 -0.061 25443 4774 1 8 . 1 1 44 44 ARG C C 44 175.094 175.094 175.460 -0.366 25443 4775 1 8 . 1 1 44 44 ARG CA C 44 54.100 54.100 54.639 -0.539 25443 4776 1 8 . 1 1 44 44 ARG CB C 44 34.218 34.218 33.937 0.281 25443 4777 1 8 . 1 1 44 44 ARG H H 44 8.152 8.152 7.951 0.201 25443 4778 1 8 . 1 1 45 45 ASP N N 45 123.595 123.595 121.590 2.005 25443 4779 1 8 . 1 1 45 45 ASP HA H 45 4.172 4.172 4.528 -0.356 25443 4780 1 8 . 1 1 45 45 ASP C C 45 177.467 177.467 177.047 0.420 25443 4781 1 8 . 1 1 45 45 ASP CA C 45 54.898 54.898 53.739 1.159 25443 4782 1 8 . 1 1 45 45 ASP CB C 45 43.568 43.568 43.051 0.517 25443 4783 1 8 . 1 1 45 45 ASP H H 45 8.628 8.628 8.739 -0.111 25443 4784 1 8 . 1 1 46 46 GLU N N 46 125.161 125.161 123.767 1.394 25443 4785 1 8 . 1 1 46 46 GLU HA H 46 3.843 3.843 4.105 -0.262 25443 4786 1 8 . 1 1 46 46 GLU C C 46 175.690 175.690 177.061 -1.371 25443 4787 1 8 . 1 1 46 46 GLU CA C 46 58.861 58.861 58.599 0.262 25443 4788 1 8 . 1 1 46 46 GLU CB C 46 29.636 29.636 29.968 -0.332 25443 4789 1 8 . 1 1 46 46 GLU H H 46 9.013 9.013 8.957 0.056 25443 4790 1 8 . 1 1 47 47 ASN N N 47 115.135 115.135 117.336 -2.201 25443 4791 1 8 . 1 1 47 47 ASN HA H 47 4.842 4.842 4.642 0.200 25443 4792 1 8 . 1 1 47 47 ASN C C 47 176.655 176.655 176.966 -0.311 25443 4793 1 8 . 1 1 47 47 ASN CA C 47 54.897 54.897 55.386 -0.490 25443 4794 1 8 . 1 1 47 47 ASN CB C 47 40.141 40.141 38.917 1.224 25443 4795 1 8 . 1 1 47 47 ASN H H 47 8.926 8.926 8.149 0.777 25443 4796 1 8 . 1 1 48 48 THR N N 48 107.544 107.544 111.807 -4.263 25443 4797 1 8 . 1 1 48 48 THR HA H 48 4.400 4.400 4.460 -0.060 25443 4798 1 8 . 1 1 48 48 THR C C 48 176.484 176.484 175.495 0.989 25443 4799 1 8 . 1 1 48 48 THR CA C 48 61.513 61.513 62.900 -1.387 25443 4800 1 8 . 1 1 48 48 THR CB C 48 71.189 71.189 69.753 1.436 25443 4801 1 8 . 1 1 48 48 THR H H 48 8.455 8.455 8.770 -0.315 25443 4802 1 8 . 1 1 49 49 GLY N N 49 111.753 111.753 108.728 3.025 25443 4803 1 8 . 1 1 49 49 GLY C C 49 173.167 173.167 173.593 -0.426 25443 4804 1 8 . 1 1 49 49 GLY CA C 49 45.628 45.628 44.812 0.816 25443 4805 1 8 . 1 1 49 49 GLY H H 49 8.607 8.607 8.086 0.521 25443 4806 1 8 . 1 1 50 50 GLU N N 50 119.978 119.978 121.043 -1.065 25443 4807 1 8 . 1 1 50 50 GLU HA H 50 4.071 4.071 4.167 -0.096 25443 4808 1 8 . 1 1 50 50 GLU C C 50 176.629 176.629 176.119 0.510 25443 4809 1 8 . 1 1 50 50 GLU CA C 50 56.500 56.500 56.127 0.373 25443 4810 1 8 . 1 1 50 50 GLU CB C 50 30.927 30.927 30.417 0.510 25443 4811 1 8 . 1 1 50 50 GLU H H 50 7.796 7.796 8.045 -0.249 25443 4812 1 8 . 1 1 51 51 SER N N 51 115.672 115.672 116.217 -0.545 25443 4813 1 8 . 1 1 51 51 SER HA H 51 4.205 4.205 4.506 -0.301 25443 4814 1 8 . 1 1 51 51 SER C C 51 176.532 176.532 175.071 1.461 25443 4815 1 8 . 1 1 51 51 SER CA C 51 58.320 58.320 59.032 -0.712 25443 4816 1 8 . 1 1 51 51 SER CB C 51 64.596 64.596 63.670 0.926 25443 4817 1 8 . 1 1 51 51 SER H H 51 8.889 8.889 8.875 0.014 25443 4818 1 8 . 1 1 52 52 GLN N N 52 123.139 123.139 124.370 -1.231 25443 4819 1 8 . 1 1 52 52 GLN HA H 52 4.421 4.421 4.230 0.191 25443 4820 1 8 . 1 1 52 52 GLN C C 52 177.396 177.396 176.817 0.579 25443 4821 1 8 . 1 1 52 52 GLN CA C 52 55.051 55.051 56.961 -1.910 25443 4822 1 8 . 1 1 52 52 GLN CB C 52 29.874 29.874 29.072 0.802 25443 4823 1 8 . 1 1 52 52 GLN H H 52 9.078 9.078 8.889 0.189 25443 4824 1 8 . 1 1 53 53 GLY N N 53 105.904 105.904 106.381 -0.477 25443 4825 1 8 . 1 1 53 53 GLY C C 53 172.046 172.046 173.637 -1.591 25443 4826 1 8 . 1 1 53 53 GLY CA C 53 46.550 46.550 44.835 1.715 25443 4827 1 8 . 1 1 53 53 GLY H H 53 8.851 8.851 8.007 0.844 25443 4828 1 8 . 1 1 54 54 PHE N N 54 111.888 111.888 118.144 -6.256 25443 4829 1 8 . 1 1 54 54 PHE HA H 54 5.253 5.253 5.276 -0.023 25443 4830 1 8 . 1 1 54 54 PHE C C 54 171.570 171.570 173.322 -1.752 25443 4831 1 8 . 1 1 54 54 PHE CA C 54 55.592 55.592 53.813 1.779 25443 4832 1 8 . 1 1 54 54 PHE CB C 54 40.806 40.806 40.597 0.208 25443 4833 1 8 . 1 1 54 54 PHE H H 54 6.827 6.827 7.023 -0.196 25443 4834 1 8 . 1 1 55 55 ALA N N 55 121.888 121.888 120.450 1.438 25443 4835 1 8 . 1 1 55 55 ALA HA H 55 5.032 5.032 4.616 0.416 25443 4836 1 8 . 1 1 55 55 ALA C C 55 172.957 172.957 174.455 -1.498 25443 4837 1 8 . 1 1 55 55 ALA CA C 55 49.477 49.477 50.962 -1.485 25443 4838 1 8 . 1 1 55 55 ALA H H 55 8.927 8.927 7.993 0.934 25443 4839 1 8 . 1 1 56 56 TYR N N 56 115.049 115.049 116.331 -1.282 25443 4840 1 8 . 1 1 56 56 TYR HA H 56 5.602 5.602 5.627 -0.025 25443 4841 1 8 . 1 1 56 56 TYR C C 56 175.162 175.162 174.173 0.989 25443 4842 1 8 . 1 1 56 56 TYR CA C 56 55.444 55.444 56.498 -1.054 25443 4843 1 8 . 1 1 56 56 TYR CB C 56 42.189 42.189 42.303 -0.114 25443 4844 1 8 . 1 1 56 56 TYR H H 56 9.020 9.020 9.076 -0.056 25443 4845 1 8 . 1 1 57 57 LEU N N 57 122.745 122.745 122.653 0.092 25443 4846 1 8 . 1 1 57 57 LEU HA H 57 4.713 4.713 4.746 -0.033 25443 4847 1 8 . 1 1 57 57 LEU C C 57 172.371 172.371 174.483 -2.112 25443 4848 1 8 . 1 1 57 57 LEU CA C 57 54.712 54.712 53.702 1.010 25443 4849 1 8 . 1 1 57 57 LEU CB C 57 46.754 46.754 46.026 0.728 25443 4850 1 8 . 1 1 57 57 LEU H H 57 8.706 8.706 8.583 0.123 25443 4851 1 8 . 1 1 58 58 LYS N N 58 125.469 125.469 125.754 -0.285 25443 4852 1 8 . 1 1 58 58 LYS HA H 58 4.467 4.467 4.457 0.010 25443 4853 1 8 . 1 1 58 58 LYS C C 58 175.152 175.152 173.921 1.231 25443 4854 1 8 . 1 1 58 58 LYS CA C 58 54.494 54.494 54.188 0.305 25443 4855 1 8 . 1 1 58 58 LYS CB C 58 36.479 36.479 34.708 1.771 25443 4856 1 8 . 1 1 58 58 LYS H H 58 7.948 7.948 8.740 -0.792 25443 4857 1 8 . 1 1 59 59 TYR N N 59 126.261 126.261 122.012 4.249 25443 4858 1 8 . 1 1 59 59 TYR HA H 59 5.003 5.003 4.721 0.282 25443 4859 1 8 . 1 1 59 59 TYR C C 59 176.020 176.020 173.906 2.114 25443 4860 1 8 . 1 1 59 59 TYR CA C 59 57.992 57.992 55.590 2.402 25443 4861 1 8 . 1 1 59 59 TYR CB C 59 41.715 41.715 40.563 1.152 25443 4862 1 8 . 1 1 59 59 TYR H H 59 8.957 8.957 7.777 1.180 25443 4863 1 8 . 1 1 60 60 GLU N N 60 120.342 120.342 122.667 -2.325 25443 4864 1 8 . 1 1 60 60 GLU HA H 60 3.839 3.839 4.422 -0.583 25443 4865 1 8 . 1 1 60 60 GLU C C 60 175.346 175.346 175.346 0.000 25443 4866 1 8 . 1 1 60 60 GLU CA C 60 59.057 59.057 55.991 3.066 25443 4867 1 8 . 1 1 60 60 GLU CB C 60 30.653 30.653 30.096 0.557 25443 4868 1 8 . 1 1 60 60 GLU H H 60 8.845 8.845 8.559 0.286 25443 4869 1 8 . 1 1 61 61 ASP N N 61 116.193 116.193 123.523 -7.330 25443 4870 1 8 . 1 1 61 61 ASP HA H 61 4.915 4.915 4.656 0.259 25443 4871 1 8 . 1 1 61 61 ASP C C 61 176.659 176.659 175.357 1.302 25443 4872 1 8 . 1 1 61 61 ASP CA C 61 51.856 51.856 54.358 -2.502 25443 4873 1 8 . 1 1 61 61 ASP CB C 61 43.726 43.726 42.498 1.228 25443 4874 1 8 . 1 1 61 61 ASP H H 61 7.922 7.922 8.051 -0.129 25443 4875 1 8 . 1 1 62 62 GLN N N 62 125.812 125.812 122.872 2.940 25443 4876 1 8 . 1 1 62 62 GLN HA H 62 4.221 4.221 4.221 0.000 25443 4877 1 8 . 1 1 62 62 GLN C C 62 178.430 178.430 177.566 0.864 25443 4878 1 8 . 1 1 62 62 GLN CA C 62 58.449 58.449 58.893 -0.444 25443 4879 1 8 . 1 1 62 62 GLN CB C 62 28.076 28.076 28.989 -0.913 25443 4880 1 8 . 1 1 62 62 GLN H H 62 8.964 8.964 8.697 0.267 25443 4881 1 8 . 1 1 63 63 ARG N N 63 120.943 120.943 119.856 1.087 25443 4882 1 8 . 1 1 63 63 ARG HA H 63 3.979 3.979 4.058 -0.079 25443 4883 1 8 . 1 1 63 63 ARG C C 63 179.350 179.350 178.549 0.801 25443 4884 1 8 . 1 1 63 63 ARG CA C 63 59.398 59.398 59.525 -0.127 25443 4885 1 8 . 1 1 63 63 ARG CB C 63 29.466 29.466 30.234 -0.768 25443 4886 1 8 . 1 1 63 63 ARG H H 63 8.965 8.965 8.320 0.645 25443 4887 1 8 . 1 1 64 64 SER N N 64 115.358 115.358 113.711 1.647 25443 4888 1 8 . 1 1 64 64 SER HA H 64 3.898 3.898 4.130 -0.232 25443 4889 1 8 . 1 1 64 64 SER C C 64 174.444 174.444 176.215 -1.771 25443 4890 1 8 . 1 1 64 64 SER CA C 64 62.459 62.459 62.045 0.413 25443 4891 1 8 . 1 1 64 64 SER CB C 64 62.040 62.040 62.474 -0.434 25443 4892 1 8 . 1 1 64 64 SER H H 64 8.065 8.065 9.502 -1.437 25443 4893 1 8 . 1 1 65 65 THR N N 65 113.614 113.614 116.510 -2.896 25443 4894 1 8 . 1 1 65 65 THR HA H 65 3.751 3.751 4.526 -0.775 25443 4895 1 8 . 1 1 65 65 THR C C 65 175.357 175.357 176.783 -1.426 25443 4896 1 8 . 1 1 65 65 THR CA C 65 66.292 66.292 65.510 0.782 25443 4897 1 8 . 1 1 65 65 THR CB C 65 68.457 68.457 68.767 -0.311 25443 4898 1 8 . 1 1 65 65 THR H H 65 7.484 7.484 7.548 -0.064 25443 4899 1 8 . 1 1 66 66 ILE N N 66 120.736 120.736 122.763 -2.027 25443 4900 1 8 . 1 1 66 66 ILE HA H 66 3.653 3.653 3.863 -0.210 25443 4901 1 8 . 1 1 66 66 ILE C C 66 177.518 177.518 178.275 -0.757 25443 4902 1 8 . 1 1 66 66 ILE CA C 66 64.014 64.014 64.765 -0.751 25443 4903 1 8 . 1 1 66 66 ILE CB C 66 42.194 42.194 37.481 4.713 25443 4904 1 8 . 1 1 66 66 ILE H H 66 6.976 6.976 7.405 -0.429 25443 4905 1 8 . 1 1 67 67 LEU N N 67 117.584 117.584 121.532 -3.948 25443 4906 1 8 . 1 1 67 67 LEU HA H 67 3.921 3.921 3.926 -0.005 25443 4907 1 8 . 1 1 67 67 LEU C C 67 179.650 179.650 178.227 1.423 25443 4908 1 8 . 1 1 67 67 LEU CA C 67 57.452 57.452 58.061 -0.609 25443 4909 1 8 . 1 1 67 67 LEU CB C 67 42.172 42.172 41.381 0.791 25443 4910 1 8 . 1 1 67 67 LEU H H 67 7.006 7.006 7.625 -0.619 25443 4911 1 8 . 1 1 68 68 ALA N N 68 121.025 121.025 120.802 0.223 25443 4912 1 8 . 1 1 68 68 ALA HA H 68 3.285 3.285 3.696 -0.411 25443 4913 1 8 . 1 1 68 68 ALA C C 68 179.216 179.216 179.815 -0.599 25443 4914 1 8 . 1 1 68 68 ALA CA C 68 55.564 55.564 54.858 0.706 25443 4915 1 8 . 1 1 68 68 ALA CB C 68 18.852 18.852 18.078 0.774 25443 4916 1 8 . 1 1 68 68 ALA H H 68 8.121 8.121 8.163 -0.042 25443 4917 1 8 . 1 1 69 69 VAL N N 69 117.799 117.799 118.440 -0.641 25443 4918 1 8 . 1 1 69 69 VAL HA H 69 3.243 3.243 3.565 -0.322 25443 4919 1 8 . 1 1 69 69 VAL C C 69 178.541 178.541 178.060 0.481 25443 4920 1 8 . 1 1 69 69 VAL CA C 69 67.237 67.237 66.955 0.282 25443 4921 1 8 . 1 1 69 69 VAL CB C 69 31.679 31.679 30.920 0.759 25443 4922 1 8 . 1 1 69 69 VAL H H 69 8.012 8.012 8.255 -0.243 25443 4923 1 8 . 1 1 70 70 ASP N N 70 117.013 117.013 117.338 -0.325 25443 4924 1 8 . 1 1 70 70 ASP HA H 70 4.339 4.339 4.395 -0.056 25443 4925 1 8 . 1 1 70 70 ASP C C 70 178.330 178.330 177.156 1.174 25443 4926 1 8 . 1 1 70 70 ASP CA C 70 57.131 57.131 57.195 -0.064 25443 4927 1 8 . 1 1 70 70 ASP CB C 70 40.465 40.465 40.644 -0.179 25443 4928 1 8 . 1 1 70 70 ASP H H 70 8.216 8.216 7.901 0.315 25443 4929 1 8 . 1 1 71 71 ASN N N 71 112.777 112.777 117.181 -4.404 25443 4930 1 8 . 1 1 71 71 ASN HA H 71 4.587 4.587 4.538 0.049 25443 4931 1 8 . 1 1 71 71 ASN C C 71 176.314 176.314 176.932 -0.618 25443 4932 1 8 . 1 1 71 71 ASN CA C 71 55.474 55.474 55.531 -0.057 25443 4933 1 8 . 1 1 71 71 ASN CB C 71 40.592 40.592 39.463 1.129 25443 4934 1 8 . 1 1 71 71 ASN H H 71 7.582 7.582 8.141 -0.559 25443 4935 1 8 . 1 1 72 72 LEU N N 72 116.551 116.551 117.730 -1.179 25443 4936 1 8 . 1 1 72 72 LEU HA H 72 4.494 4.494 4.415 0.079 25443 4937 1 8 . 1 1 72 72 LEU C C 72 177.500 177.500 176.605 0.895 25443 4938 1 8 . 1 1 72 72 LEU CA C 72 54.590 54.590 55.050 -0.460 25443 4939 1 8 . 1 1 72 72 LEU CB C 72 42.862 42.862 42.942 -0.080 25443 4940 1 8 . 1 1 72 72 LEU H H 72 8.201 8.201 8.006 0.195 25443 4941 1 8 . 1 1 73 73 ASN N N 73 118.974 118.974 118.367 0.607 25443 4942 1 8 . 1 1 73 73 ASN HA H 73 4.392 4.392 4.675 -0.283 25443 4943 1 8 . 1 1 73 73 ASN C C 73 177.151 177.151 176.590 0.561 25443 4944 1 8 . 1 1 73 73 ASN CA C 73 56.276 56.276 55.097 1.179 25443 4945 1 8 . 1 1 73 73 ASN CB C 73 38.853 38.853 38.410 0.443 25443 4946 1 8 . 1 1 73 73 ASN H H 73 7.406 7.406 8.016 -0.610 25443 4947 1 8 . 1 1 74 74 GLY N N 74 116.478 116.478 114.023 2.455 25443 4948 1 8 . 1 1 74 74 GLY C C 74 172.756 172.756 173.755 -0.999 25443 4949 1 8 . 1 1 74 74 GLY CA C 74 45.662 45.662 45.153 0.509 25443 4950 1 8 . 1 1 74 74 GLY H H 74 9.106 9.106 9.017 0.089 25443 4951 1 8 . 1 1 75 75 PHE N N 75 123.853 123.853 122.051 1.802 25443 4952 1 8 . 1 1 75 75 PHE HA H 75 4.328 4.328 4.639 -0.311 25443 4953 1 8 . 1 1 75 75 PHE C C 75 175.065 175.065 174.289 0.776 25443 4954 1 8 . 1 1 75 75 PHE CA C 75 58.371 58.371 56.655 1.716 25443 4955 1 8 . 1 1 75 75 PHE CB C 75 40.947 40.947 40.802 0.145 25443 4956 1 8 . 1 1 75 75 PHE H H 75 8.074 8.074 8.155 -0.081 25443 4957 1 8 . 1 1 76 76 LYS N N 76 126.700 126.700 126.571 0.129 25443 4958 1 8 . 1 1 76 76 LYS HA H 76 4.536 4.536 4.874 -0.338 25443 4959 1 8 . 1 1 76 76 LYS C C 76 175.395 175.395 175.605 -0.210 25443 4960 1 8 . 1 1 76 76 LYS CA C 76 56.227 56.227 54.870 1.357 25443 4961 1 8 . 1 1 76 76 LYS CB C 76 32.969 32.969 32.512 0.457 25443 4962 1 8 . 1 1 76 76 LYS H H 76 7.766 7.766 7.950 -0.184 25443 4963 1 8 . 1 1 77 77 ILE N N 77 120.686 120.686 125.199 -4.513 25443 4964 1 8 . 1 1 77 77 ILE HA H 77 4.231 4.231 4.123 0.108 25443 4965 1 8 . 1 1 77 77 ILE C C 77 177.605 177.605 176.402 1.203 25443 4966 1 8 . 1 1 77 77 ILE CA C 77 59.981 59.981 59.963 0.018 25443 4967 1 8 . 1 1 77 77 ILE CB C 77 40.409 40.409 38.502 1.907 25443 4968 1 8 . 1 1 77 77 ILE H H 77 8.005 8.005 8.908 -0.903 25443 4969 1 8 . 1 1 78 78 GLY N N 78 118.352 118.352 117.119 1.233 25443 4970 1 8 . 1 1 78 78 GLY C C 78 175.639 175.639 175.216 0.423 25443 4971 1 8 . 1 1 78 78 GLY CA C 78 47.227 47.227 45.348 1.879 25443 4972 1 8 . 1 1 78 78 GLY H H 78 9.800 9.800 8.751 1.049 25443 4973 1 8 . 1 1 79 79 GLY N N 79 104.167 104.167 105.615 -1.448 25443 4974 1 8 . 1 1 79 79 GLY C C 79 173.371 173.371 174.127 -0.756 25443 4975 1 8 . 1 1 79 79 GLY CA C 79 45.037 45.037 44.592 0.445 25443 4976 1 8 . 1 1 79 79 GLY H H 79 8.795 8.795 8.140 0.655 25443 4977 1 8 . 1 1 80 80 ARG N N 80 119.090 119.090 121.396 -2.306 25443 4978 1 8 . 1 1 80 80 ARG HA H 80 4.590 4.590 4.604 -0.014 25443 4979 1 8 . 1 1 80 80 ARG C C 80 174.563 174.563 174.564 -0.001 25443 4980 1 8 . 1 1 80 80 ARG CA C 80 54.615 54.615 54.449 0.167 25443 4981 1 8 . 1 1 80 80 ARG CB C 80 33.487 33.487 32.222 1.265 25443 4982 1 8 . 1 1 80 80 ARG H H 80 7.281 7.281 7.582 -0.301 25443 4983 1 8 . 1 1 81 81 ALA N N 81 126.039 126.039 125.110 0.929 25443 4984 1 8 . 1 1 81 81 ALA HA H 81 4.216 4.216 4.896 -0.680 25443 4985 1 8 . 1 1 81 81 ALA C C 81 177.149 177.149 177.098 0.051 25443 4986 1 8 . 1 1 81 81 ALA CA C 81 51.081 51.081 51.048 0.033 25443 4987 1 8 . 1 1 81 81 ALA CB C 81 19.226 19.226 19.752 -0.526 25443 4988 1 8 . 1 1 81 81 ALA H H 81 8.651 8.651 8.448 0.203 25443 4989 1 8 . 1 1 82 82 LEU N N 82 125.451 125.451 124.343 1.108 25443 4990 1 8 . 1 1 82 82 LEU HA H 82 4.390 4.390 4.431 -0.041 25443 4991 1 8 . 1 1 82 82 LEU C C 82 177.498 177.498 176.441 1.057 25443 4992 1 8 . 1 1 82 82 LEU CA C 82 56.065 56.065 54.601 1.464 25443 4993 1 8 . 1 1 82 82 LEU CB C 82 43.267 43.267 42.898 0.368 25443 4994 1 8 . 1 1 82 82 LEU H H 82 8.805 8.805 8.769 0.036 25443 4995 1 8 . 1 1 83 83 LYS N N 83 123.253 123.253 125.824 -2.571 25443 4996 1 8 . 1 1 83 83 LYS C C 83 174.892 174.892 175.039 -0.147 25443 4997 1 8 . 1 1 83 83 LYS CA C 83 54.892 54.892 54.736 0.155 25443 4998 1 8 . 1 1 83 83 LYS H H 83 7.768 7.768 8.662 -0.894 25443 4999 1 8 . 1 1 84 84 ILE N N 84 125.577 125.577 126.432 -0.855 25443 5000 1 8 . 1 1 84 84 ILE HA H 84 5.581 5.581 5.434 0.147 25443 5001 1 8 . 1 1 84 84 ILE C C 84 174.901 174.901 175.798 -0.897 25443 5002 1 8 . 1 1 84 84 ILE CA C 84 58.803 58.803 58.081 0.722 25443 5003 1 8 . 1 1 84 84 ILE CB C 84 40.306 40.306 39.197 1.109 25443 5004 1 8 . 1 1 84 84 ILE H H 84 8.616 8.616 8.071 0.545 25443 5005 1 8 . 1 1 85 85 ASP N N 85 125.373 125.373 124.796 0.577 25443 5006 1 8 . 1 1 85 85 ASP HA H 85 4.909 4.909 4.871 0.038 25443 5007 1 8 . 1 1 85 85 ASP C C 85 174.826 174.826 174.238 0.588 25443 5008 1 8 . 1 1 85 85 ASP CA C 85 52.372 52.372 52.108 0.264 25443 5009 1 8 . 1 1 85 85 ASP CB C 85 45.290 45.290 44.639 0.651 25443 5010 1 8 . 1 1 85 85 ASP H H 85 8.907 8.907 8.582 0.325 25443 5011 1 8 . 1 1 86 86 HIS N N 86 121.396 121.396 122.719 -1.323 25443 5012 1 8 . 1 1 86 86 HIS CA C 86 57.540 57.540 57.855 -0.315 25443 5013 1 8 . 1 1 86 86 HIS CB C 86 30.985 30.985 30.609 0.376 25443 5014 1 8 . 1 1 86 86 HIS H H 86 8.970 8.970 8.713 0.257 25443 5015 1 8 . 1 1 87 87 THR N N 87 116.761 116.761 117.613 -0.852 25443 5016 1 8 . 1 1 87 87 THR HA H 87 4.652 4.652 4.700 -0.048 25443 5017 1 8 . 1 1 87 87 THR C C 87 171.272 171.272 172.286 -1.014 25443 5018 1 8 . 1 1 87 87 THR CA C 87 60.710 60.710 60.649 0.061 25443 5019 1 8 . 1 1 87 87 THR CB C 87 69.764 69.764 71.032 -1.268 25443 5020 1 8 . 1 1 87 87 THR H H 87 8.557 8.557 8.385 0.172 25443 5021 1 8 . 1 1 88 88 PHE N N 88 120.343 120.343 119.453 0.890 25443 5022 1 8 . 1 1 88 88 PHE HA H 88 5.273 5.273 5.112 0.161 25443 5023 1 8 . 1 1 88 88 PHE C C 88 174.288 174.288 173.084 1.204 25443 5024 1 8 . 1 1 88 88 PHE CA C 88 55.959 55.959 54.407 1.552 25443 5025 1 8 . 1 1 88 88 PHE CB C 88 41.079 41.079 41.536 -0.457 25443 5026 1 8 . 1 1 88 88 PHE H H 88 8.114 8.114 8.150 -0.036 25443 5027 1 8 . 1 1 89 89 TYR N N 89 123.043 123.043 121.177 1.866 25443 5028 1 8 . 1 1 89 89 TYR HA H 89 4.026 4.026 4.264 -0.238 25443 5029 1 8 . 1 1 89 89 TYR C C 89 173.155 173.155 173.069 0.086 25443 5030 1 8 . 1 1 89 89 TYR CA C 89 57.493 57.493 57.219 0.274 25443 5031 1 8 . 1 1 89 89 TYR CB C 89 39.829 39.829 41.874 -2.045 25443 5032 1 8 . 1 1 89 89 TYR H H 89 8.176 8.176 8.426 -0.250 25443 5033 1 8 . 1 1 90 90 ARG N N 90 129.004 129.004 125.636 3.368 25443 5034 1 8 . 1 1 90 90 ARG HA H 90 4.398 4.398 4.582 -0.184 25443 5035 1 8 . 1 1 90 90 ARG CA C 90 51.548 51.548 52.763 -1.215 25443 5036 1 8 . 1 1 90 90 ARG CB C 90 30.882 30.882 31.015 -0.133 25443 5037 1 8 . 1 1 90 90 ARG H H 90 7.078 7.078 7.787 -0.709 25443 5038 1 8 . 1 1 91 91 PRO HA H 91 4.155 4.155 4.508 -0.353 25443 5039 1 8 . 1 1 91 91 PRO C C 91 176.340 176.340 176.638 -0.298 25443 5040 1 8 . 1 1 91 91 PRO CA C 91 62.454 62.454 62.544 -0.090 25443 5041 1 8 . 1 1 91 91 PRO CB C 91 33.072 33.072 31.776 1.296 25443 5042 1 8 . 1 1 92 92 LYS N N 92 119.682 119.682 123.955 -4.273 25443 5043 1 8 . 1 1 92 92 LYS CA C 92 54.711 54.711 54.531 0.180 25443 5044 1 8 . 1 1 92 92 LYS H H 92 8.644 8.644 8.401 0.243 25443 5045 1 8 . 1 1 93 93 ARG C C 93 178.899 178.899 178.281 0.618 25443 5046 1 8 . 1 1 93 93 ARG CA C 93 59.125 59.125 58.879 0.246 25443 5047 1 8 . 1 1 94 94 SER N N 94 112.166 112.166 114.061 -1.895 25443 5048 1 8 . 1 1 94 94 SER HA H 94 4.176 4.176 4.329 -0.153 25443 5049 1 8 . 1 1 94 94 SER C C 94 175.776 175.776 175.220 0.556 25443 5050 1 8 . 1 1 94 94 SER CA C 94 60.031 60.031 60.787 -0.756 25443 5051 1 8 . 1 1 94 94 SER CB C 94 62.152 62.152 63.138 -0.986 25443 5052 1 8 . 1 1 94 94 SER H H 94 8.299 8.299 8.315 -0.016 25443 5053 1 8 . 1 1 95 95 LEU N N 95 122.179 122.179 121.141 1.038 25443 5054 1 8 . 1 1 95 95 LEU HA H 95 4.651 4.651 4.648 0.003 25443 5055 1 8 . 1 1 95 95 LEU C C 95 175.381 175.381 176.803 -1.422 25443 5056 1 8 . 1 1 95 95 LEU CA C 95 53.934 53.934 53.520 0.413 25443 5057 1 8 . 1 1 95 95 LEU CB C 95 41.861 41.861 41.173 0.688 25443 5058 1 8 . 1 1 95 95 LEU H H 95 7.159 7.159 7.557 -0.398 25443 5059 1 8 . 1 1 96 96 GLN N N 96 118.834 118.834 120.347 -1.513 25443 5060 1 8 . 1 1 96 96 GLN HA H 96 4.030 4.030 4.225 -0.195 25443 5061 1 8 . 1 1 96 96 GLN C C 96 177.751 177.751 177.598 0.153 25443 5062 1 8 . 1 1 96 96 GLN CA C 96 60.705 60.705 59.187 1.518 25443 5063 1 8 . 1 1 96 96 GLN CB C 96 28.822 28.822 28.344 0.478 25443 5064 1 8 . 1 1 96 96 GLN H H 96 7.329 7.329 7.771 -0.442 25443 5065 1 8 . 1 1 97 97 LYS N N 97 116.469 116.469 119.456 -2.987 25443 5066 1 8 . 1 1 97 97 LYS HA H 97 4.060 4.060 4.102 -0.042 25443 5067 1 8 . 1 1 97 97 LYS C C 97 179.164 179.164 178.473 0.691 25443 5068 1 8 . 1 1 97 97 LYS CA C 97 59.430 59.430 59.090 0.340 25443 5069 1 8 . 1 1 97 97 LYS CB C 97 31.511 31.511 32.194 -0.683 25443 5070 1 8 . 1 1 97 97 LYS H H 97 8.614 8.614 8.265 0.349 25443 5071 1 8 . 1 1 98 98 TYR N N 98 124.165 124.165 122.209 1.956 25443 5072 1 8 . 1 1 98 98 TYR HA H 98 4.079 4.079 4.059 0.020 25443 5073 1 8 . 1 1 98 98 TYR C C 98 177.316 177.316 177.550 -0.234 25443 5074 1 8 . 1 1 98 98 TYR CA C 98 62.205 62.205 61.541 0.664 25443 5075 1 8 . 1 1 98 98 TYR CB C 98 37.162 37.162 38.154 -0.992 25443 5076 1 8 . 1 1 98 98 TYR H H 98 7.585 7.585 7.899 -0.314 25443 5077 1 8 . 1 1 99 99 TYR N N 99 117.955 117.955 117.210 0.745 25443 5078 1 8 . 1 1 99 99 TYR HA H 99 5.078 5.078 3.960 1.118 25443 5079 1 8 . 1 1 99 99 TYR C C 99 180.957 180.957 178.209 2.748 25443 5080 1 8 . 1 1 99 99 TYR CA C 99 57.741 57.741 61.397 -3.656 25443 5081 1 8 . 1 1 99 99 TYR CB C 99 37.083 37.083 37.781 -0.698 25443 5082 1 8 . 1 1 99 99 TYR H H 99 8.660 8.660 7.660 1.000 25443 5083 1 8 . 1 1 100 100 GLU N N 100 118.796 118.796 120.319 -1.523 25443 5084 1 8 . 1 1 100 100 GLU HA H 100 4.024 4.024 3.933 0.091 25443 5085 1 8 . 1 1 100 100 GLU C C 100 178.571 178.571 178.590 -0.019 25443 5086 1 8 . 1 1 100 100 GLU CA C 100 59.400 59.400 59.324 0.076 25443 5087 1 8 . 1 1 100 100 GLU CB C 100 29.660 29.660 29.665 -0.005 25443 5088 1 8 . 1 1 100 100 GLU H H 100 8.263 8.263 8.158 0.105 25443 5089 1 8 . 1 1 101 101 ALA N N 101 123.346 123.346 122.207 1.139 25443 5090 1 8 . 1 1 101 101 ALA HA H 101 4.244 4.244 4.326 -0.082 25443 5091 1 8 . 1 1 101 101 ALA C C 101 181.331 181.331 179.850 1.481 25443 5092 1 8 . 1 1 101 101 ALA CA C 101 54.851 54.851 54.918 -0.067 25443 5093 1 8 . 1 1 101 101 ALA CB C 101 18.559 18.559 18.527 0.032 25443 5094 1 8 . 1 1 101 101 ALA H H 101 7.966 7.966 8.157 -0.191 25443 5095 1 8 . 1 1 102 102 VAL N N 102 120.241 120.241 117.743 2.498 25443 5096 1 8 . 1 1 102 102 VAL HA H 102 3.713 3.713 3.742 -0.029 25443 5097 1 8 . 1 1 102 102 VAL C C 102 176.967 176.967 177.591 -0.624 25443 5098 1 8 . 1 1 102 102 VAL CA C 102 67.433 67.433 65.153 2.280 25443 5099 1 8 . 1 1 102 102 VAL CB C 102 31.721 31.721 31.183 0.538 25443 5100 1 8 . 1 1 102 102 VAL H H 102 8.331 8.331 8.006 0.325 25443 5101 1 8 . 1 1 103 103 LYS N N 103 120.001 120.001 120.804 -0.803 25443 5102 1 8 . 1 1 103 103 LYS HA H 103 3.859 3.859 4.094 -0.235 25443 5103 1 8 . 1 1 103 103 LYS C C 103 178.500 178.500 178.327 0.173 25443 5104 1 8 . 1 1 103 103 LYS CA C 103 59.652 59.652 58.893 0.759 25443 5105 1 8 . 1 1 103 103 LYS CB C 103 32.040 32.040 32.249 -0.209 25443 5106 1 8 . 1 1 103 103 LYS H H 103 8.201 8.201 7.630 0.571 25443 5107 1 8 . 1 1 104 104 GLU N N 104 116.335 116.335 118.321 -1.986 25443 5108 1 8 . 1 1 104 104 GLU HA H 104 3.928 3.928 4.093 -0.165 25443 5109 1 8 . 1 1 104 104 GLU C C 104 178.645 178.645 179.123 -0.478 25443 5110 1 8 . 1 1 104 104 GLU CA C 104 59.110 59.110 59.267 -0.157 25443 5111 1 8 . 1 1 104 104 GLU CB C 104 29.607 29.607 29.217 0.390 25443 5112 1 8 . 1 1 104 104 GLU H H 104 7.909 7.909 8.271 -0.362 25443 5113 1 8 . 1 1 105 105 GLU N N 105 119.210 119.210 118.774 0.436 25443 5114 1 8 . 1 1 105 105 GLU HA H 105 3.844 3.844 4.290 -0.446 25443 5115 1 8 . 1 1 105 105 GLU C C 105 178.613 178.613 178.572 0.041 25443 5116 1 8 . 1 1 105 105 GLU CA C 105 58.162 58.162 57.694 0.468 25443 5117 1 8 . 1 1 105 105 GLU CB C 105 29.754 29.754 29.731 0.023 25443 5118 1 8 . 1 1 105 105 GLU H H 105 7.257 7.257 7.703 -0.446 25443 5119 1 8 . 1 1 106 106 LEU N N 106 117.408 117.408 123.054 -5.646 25443 5120 1 8 . 1 1 106 106 LEU HA H 106 3.976 3.976 3.958 0.018 25443 5121 1 8 . 1 1 106 106 LEU C C 106 178.646 178.646 178.148 0.498 25443 5122 1 8 . 1 1 106 106 LEU CA C 106 56.699 56.699 58.480 -1.781 25443 5123 1 8 . 1 1 106 106 LEU CB C 106 40.455 40.455 41.910 -1.455 25443 5124 1 8 . 1 1 106 106 LEU H H 106 8.169 8.169 7.838 0.331 25443 5125 1 8 . 1 1 107 107 ASP N N 107 119.073 119.073 117.473 1.600 25443 5126 1 8 . 1 1 107 107 ASP HA H 107 4.521 4.521 4.265 0.256 25443 5127 1 8 . 1 1 107 107 ASP C C 107 177.069 177.069 178.352 -1.283 25443 5128 1 8 . 1 1 107 107 ASP CA C 107 55.099 55.099 58.135 -3.036 25443 5129 1 8 . 1 1 107 107 ASP CB C 107 40.670 40.670 40.664 0.006 25443 5130 1 8 . 1 1 107 107 ASP H H 107 8.003 8.003 7.885 0.118 25443 5131 1 8 . 1 1 108 108 ARG N N 108 120.705 120.705 119.222 1.483 25443 5132 1 8 . 1 1 108 108 ARG HA H 108 4.067 4.067 4.052 0.015 25443 5133 1 8 . 1 1 108 108 ARG C C 108 176.990 176.990 178.181 -1.191 25443 5134 1 8 . 1 1 108 108 ARG CA C 108 57.517 57.517 58.985 -1.468 25443 5135 1 8 . 1 1 108 108 ARG CB C 108 30.407 30.407 30.157 0.249 25443 5136 1 8 . 1 1 108 108 ARG H H 108 7.603 7.603 7.613 -0.010 25443 5137 1 8 . 1 1 109 109 ASP N N 109 120.246 120.246 119.382 0.864 25443 5138 1 8 . 1 1 109 109 ASP HA H 109 4.521 4.521 4.453 0.068 25443 5139 1 8 . 1 1 109 109 ASP C C 109 176.630 176.630 178.189 -1.559 25443 5140 1 8 . 1 1 109 109 ASP CA C 109 55.028 55.028 56.710 -1.682 25443 5141 1 8 . 1 1 109 109 ASP CB C 109 40.936 40.936 40.969 -0.033 25443 5142 1 8 . 1 1 109 109 ASP H H 109 8.226 8.226 7.906 0.320 25443 5143 1 8 . 1 1 110 110 ILE N N 110 120.386 120.386 118.050 2.336 25443 5144 1 8 . 1 1 110 110 ILE HA H 110 3.987 3.987 3.934 0.053 25443 5145 1 8 . 1 1 110 110 ILE C C 110 176.996 176.996 176.220 0.776 25443 5146 1 8 . 1 1 110 110 ILE CA C 110 62.241 62.241 62.529 -0.288 25443 5147 1 8 . 1 1 110 110 ILE CB C 110 38.359 38.359 38.638 -0.279 25443 5148 1 8 . 1 1 110 110 ILE H H 110 7.863 7.863 7.847 0.016 25443 5149 1 8 . 1 1 111 111 VAL N N 111 122.548 122.548 114.172 8.376 25443 5150 1 8 . 1 1 111 111 VAL HA H 111 3.946 3.946 3.841 0.105 25443 5151 1 8 . 1 1 111 111 VAL C C 111 176.938 176.938 175.875 1.063 25443 5152 1 8 . 1 1 111 111 VAL CA C 111 63.499 63.499 63.346 0.153 25443 5153 1 8 . 1 1 111 111 VAL CB C 111 32.223 32.223 29.697 2.526 25443 5154 1 8 . 1 1 111 111 VAL H H 111 8.016 8.016 7.549 0.467 25443 5155 1 8 . 1 1 112 112 SER N N 112 117.984 117.984 117.111 0.873 25443 5156 1 8 . 1 1 112 112 SER HA H 112 4.317 4.317 4.476 -0.159 25443 5157 1 8 . 1 1 112 112 SER C C 112 175.154 175.154 173.863 1.291 25443 5158 1 8 . 1 1 112 112 SER CA C 112 59.025 59.025 58.876 0.149 25443 5159 1 8 . 1 1 112 112 SER CB C 112 63.419 63.419 62.576 0.843 25443 5160 1 8 . 1 1 112 112 SER H H 112 8.187 8.187 7.710 0.477 25443 5161 1 8 . 1 1 113 113 LYS N N 113 122.727 122.727 124.529 -1.802 25443 5162 1 8 . 1 1 113 113 LYS HA H 113 4.209 4.209 4.470 -0.261 25443 5163 1 8 . 1 1 113 113 LYS C C 113 176.713 176.713 176.814 -0.101 25443 5164 1 8 . 1 1 113 113 LYS CA C 113 56.844 56.844 56.361 0.483 25443 5165 1 8 . 1 1 113 113 LYS CB C 113 32.794 32.794 32.917 -0.124 25443 5166 1 8 . 1 1 113 113 LYS H H 113 8.152 8.152 7.944 0.208 25443 5167 1 8 . 1 1 114 114 ASN N N 114 118.886 118.886 120.106 -1.220 25443 5168 1 8 . 1 1 114 114 ASN C C 114 175.227 175.227 176.004 -0.777 25443 5169 1 8 . 1 1 114 114 ASN CA C 114 53.549 53.549 56.306 -2.756 25443 5170 1 8 . 1 1 114 114 ASN H H 114 8.261 8.261 8.706 -0.445 25443 5171 1 8 . 1 1 115 115 ASN N N 115 119.345 119.345 116.547 2.798 25443 5172 1 8 . 1 1 115 115 ASN C C 115 174.896 174.896 175.894 -0.998 25443 5173 1 8 . 1 1 115 115 ASN CA C 115 53.476 53.476 54.431 -0.955 25443 5174 1 8 . 1 1 115 115 ASN H H 115 8.257 8.257 8.251 0.006 25443 5175 1 8 . 1 1 116 116 ALA N N 116 123.669 123.669 121.393 2.276 25443 5176 1 8 . 1 1 116 116 ALA HA H 116 4.254 4.254 4.250 0.004 25443 5177 1 8 . 1 1 116 116 ALA C C 116 177.567 177.567 177.783 -0.216 25443 5178 1 8 . 1 1 116 116 ALA CA C 116 52.678 52.678 53.434 -0.755 25443 5179 1 8 . 1 1 116 116 ALA CB C 116 19.243 19.243 19.253 -0.010 25443 5180 1 8 . 1 1 116 116 ALA H H 116 8.094 8.094 8.181 -0.087 25443 5181 1 8 . 1 1 117 117 GLU N N 117 120.083 120.083 117.302 2.781 25443 5182 1 8 . 1 1 117 117 GLU C C 117 175.564 175.564 174.794 0.770 25443 5183 1 8 . 1 1 117 117 GLU CA C 117 56.602 56.602 55.259 1.343 25443 5184 1 8 . 1 1 117 117 GLU H H 117 8.221 8.221 7.912 0.309 25443 5185 1 9 . 1 1 2 2 ALA HA H 2 4.286 4.286 4.685 -0.399 25443 5186 1 9 . 1 1 2 2 ALA C C 2 177.853 177.853 176.667 1.186 25443 5187 1 9 . 1 1 2 2 ALA CA C 2 52.661 52.661 51.699 0.962 25443 5188 1 9 . 1 1 2 2 ALA CB C 2 19.308 19.308 19.619 -0.311 25443 5189 1 9 . 1 1 3 3 MET N N 3 119.404 119.404 122.926 -3.522 25443 5190 1 9 . 1 1 3 3 MET HA H 3 4.435 4.435 4.480 -0.045 25443 5191 1 9 . 1 1 3 3 MET C C 3 176.731 176.731 176.620 0.111 25443 5192 1 9 . 1 1 3 3 MET CA C 3 55.503 55.503 55.253 0.250 25443 5193 1 9 . 1 1 3 3 MET CB C 3 32.795 32.795 33.761 -0.966 25443 5194 1 9 . 1 1 3 3 MET H H 3 8.530 8.530 8.427 0.103 25443 5195 1 9 . 1 1 4 4 GLY N N 4 109.968 109.968 108.351 1.617 25443 5196 1 9 . 1 1 4 4 GLY C C 4 174.057 174.057 174.823 -0.766 25443 5197 1 9 . 1 1 4 4 GLY CA C 4 45.363 45.363 44.621 0.742 25443 5198 1 9 . 1 1 4 4 GLY H H 4 8.414 8.414 8.209 0.205 25443 5199 1 9 . 1 1 5 5 ASN N N 5 118.659 118.659 122.213 -3.554 25443 5200 1 9 . 1 1 5 5 ASN HA H 5 4.606 4.606 4.166 0.440 25443 5201 1 9 . 1 1 5 5 ASN C C 5 175.443 175.443 175.549 -0.106 25443 5202 1 9 . 1 1 5 5 ASN CA C 5 53.530 53.530 53.710 -0.180 25443 5203 1 9 . 1 1 5 5 ASN CB C 5 38.876 38.876 38.554 0.322 25443 5204 1 9 . 1 1 5 5 ASN H H 5 8.326 8.326 8.361 -0.035 25443 5205 1 9 . 1 1 6 6 GLU N N 6 120.909 120.909 116.443 4.466 25443 5206 1 9 . 1 1 6 6 GLU HA H 6 4.097 4.097 4.383 -0.286 25443 5207 1 9 . 1 1 6 6 GLU C C 6 176.261 176.261 175.131 1.130 25443 5208 1 9 . 1 1 6 6 GLU CA C 6 57.171 57.171 55.815 1.357 25443 5209 1 9 . 1 1 6 6 GLU CB C 6 29.715 29.715 29.740 -0.025 25443 5210 1 9 . 1 1 6 6 GLU H H 6 8.633 8.633 7.902 0.731 25443 5211 1 9 . 1 1 7 7 TYR N N 7 120.283 120.283 116.481 3.802 25443 5212 1 9 . 1 1 7 7 TYR HA H 7 4.440 4.440 4.186 0.254 25443 5213 1 9 . 1 1 7 7 TYR C C 7 175.789 175.789 176.147 -0.358 25443 5214 1 9 . 1 1 7 7 TYR CA C 7 58.061 58.061 58.662 -0.601 25443 5215 1 9 . 1 1 7 7 TYR CB C 7 38.193 38.193 36.102 2.091 25443 5216 1 9 . 1 1 7 7 TYR H H 7 8.069 8.069 7.037 1.032 25443 5217 1 9 . 1 1 8 8 LYS N N 8 121.780 121.780 116.890 4.890 25443 5218 1 9 . 1 1 8 8 LYS HA H 8 4.107 4.107 4.224 -0.117 25443 5219 1 9 . 1 1 8 8 LYS C C 8 175.970 175.970 175.845 0.125 25443 5220 1 9 . 1 1 8 8 LYS CA C 8 56.550 56.550 56.401 0.149 25443 5221 1 9 . 1 1 8 8 LYS CB C 8 33.141 33.141 30.176 2.965 25443 5222 1 9 . 1 1 8 8 LYS H H 8 7.868 7.868 8.086 -0.218 25443 5223 1 9 . 1 1 9 9 ASP N N 9 119.825 119.825 120.482 -0.657 25443 5224 1 9 . 1 1 9 9 ASP HA H 9 4.577 4.577 4.731 -0.154 25443 5225 1 9 . 1 1 9 9 ASP C C 9 175.979 175.979 176.858 -0.879 25443 5226 1 9 . 1 1 9 9 ASP CA C 9 54.608 54.608 54.324 0.284 25443 5227 1 9 . 1 1 9 9 ASP CB C 9 41.455 41.455 41.268 0.187 25443 5228 1 9 . 1 1 9 9 ASP H H 9 8.164 8.164 8.312 -0.148 25443 5229 1 9 . 1 1 10 10 ASN N N 10 119.410 119.410 117.852 1.558 25443 5230 1 9 . 1 1 10 10 ASN HA H 10 4.935 4.935 4.865 0.070 25443 5231 1 9 . 1 1 10 10 ASN C C 10 174.654 174.654 174.403 0.251 25443 5232 1 9 . 1 1 10 10 ASN CA C 10 52.792 52.792 53.208 -0.416 25443 5233 1 9 . 1 1 10 10 ASN CB C 10 38.554 38.554 38.362 0.192 25443 5234 1 9 . 1 1 10 10 ASN H H 10 8.284 8.284 8.557 -0.273 25443 5235 1 9 . 1 1 11 11 ALA N N 11 122.716 122.716 123.258 -0.542 25443 5236 1 9 . 1 1 11 11 ALA HA H 11 4.521 4.521 4.488 0.033 25443 5237 1 9 . 1 1 11 11 ALA CA C 11 53.148 53.148 51.504 1.644 25443 5238 1 9 . 1 1 11 11 ALA CB C 11 19.223 19.223 18.764 0.459 25443 5239 1 9 . 1 1 11 11 ALA H H 11 8.260 8.260 7.135 1.125 25443 5240 1 9 . 1 1 12 12 TYR HA H 12 4.943 4.943 5.095 -0.152 25443 5241 1 9 . 1 1 12 12 TYR C C 12 177.075 177.075 174.199 2.876 25443 5242 1 9 . 1 1 12 12 TYR CA C 12 57.314 57.314 57.218 0.096 25443 5243 1 9 . 1 1 12 12 TYR CB C 12 42.614 42.614 42.860 -0.246 25443 5244 1 9 . 1 1 13 13 ILE N N 13 114.211 114.211 119.645 -5.434 25443 5245 1 9 . 1 1 13 13 ILE HA H 13 4.981 4.981 5.236 -0.255 25443 5246 1 9 . 1 1 13 13 ILE C C 13 174.500 174.500 174.036 0.464 25443 5247 1 9 . 1 1 13 13 ILE CA C 13 60.380 60.380 58.929 1.450 25443 5248 1 9 . 1 1 13 13 ILE CB C 13 39.792 39.792 41.201 -1.409 25443 5249 1 9 . 1 1 13 13 ILE H H 13 9.358 9.358 9.016 0.342 25443 5250 1 9 . 1 1 14 14 TYR N N 14 124.891 124.891 127.900 -3.009 25443 5251 1 9 . 1 1 14 14 TYR HA H 14 4.579 4.579 4.823 -0.244 25443 5252 1 9 . 1 1 14 14 TYR C C 14 173.192 173.192 173.928 -0.736 25443 5253 1 9 . 1 1 14 14 TYR CA C 14 56.202 56.202 57.076 -0.874 25443 5254 1 9 . 1 1 14 14 TYR CB C 14 40.163 40.163 40.193 -0.030 25443 5255 1 9 . 1 1 14 14 TYR H H 14 9.163 9.163 9.178 -0.015 25443 5256 1 9 . 1 1 15 15 ILE N N 15 127.801 127.801 127.463 0.338 25443 5257 1 9 . 1 1 15 15 ILE HA H 15 4.210 4.210 5.085 -0.875 25443 5258 1 9 . 1 1 15 15 ILE C C 15 173.823 173.823 175.889 -2.066 25443 5259 1 9 . 1 1 15 15 ILE CA C 15 59.616 59.616 59.208 0.408 25443 5260 1 9 . 1 1 15 15 ILE CB C 15 39.735 39.735 39.976 -0.241 25443 5261 1 9 . 1 1 15 15 ILE H H 15 8.569 8.569 8.334 0.235 25443 5262 1 9 . 1 1 16 16 GLY N N 16 112.441 112.441 113.090 -0.649 25443 5263 1 9 . 1 1 16 16 GLY C C 16 173.159 173.159 173.705 -0.546 25443 5264 1 9 . 1 1 16 16 GLY CA C 16 43.244 43.244 43.030 0.214 25443 5265 1 9 . 1 1 16 16 GLY H H 16 9.354 9.354 8.160 1.194 25443 5266 1 9 . 1 1 17 17 ASN N N 17 114.797 114.797 119.171 -4.374 25443 5267 1 9 . 1 1 17 17 ASN HA H 17 4.347 4.347 4.810 -0.463 25443 5268 1 9 . 1 1 17 17 ASN C C 17 174.834 174.834 175.845 -1.011 25443 5269 1 9 . 1 1 17 17 ASN CA C 17 53.214 53.214 53.927 -0.713 25443 5270 1 9 . 1 1 17 17 ASN CB C 17 37.826 37.826 37.853 -0.027 25443 5271 1 9 . 1 1 17 17 ASN H H 17 8.552 8.552 8.556 -0.004 25443 5272 1 9 . 1 1 18 18 LEU N N 18 114.526 114.526 126.173 -11.647 25443 5273 1 9 . 1 1 18 18 LEU HA H 18 3.994 3.994 4.528 -0.534 25443 5274 1 9 . 1 1 18 18 LEU C C 18 177.948 177.948 176.826 1.122 25443 5275 1 9 . 1 1 18 18 LEU CA C 18 53.772 53.772 54.026 -0.254 25443 5276 1 9 . 1 1 18 18 LEU CB C 18 42.385 42.385 44.135 -1.750 25443 5277 1 9 . 1 1 18 18 LEU H H 18 7.743 7.743 8.779 -1.036 25443 5278 1 9 . 1 1 19 19 ASN N N 19 122.718 122.718 118.052 4.666 25443 5279 1 9 . 1 1 19 19 ASN HA H 19 4.302 4.302 4.963 -0.660 25443 5280 1 9 . 1 1 19 19 ASN C C 19 178.040 178.040 175.414 2.626 25443 5281 1 9 . 1 1 19 19 ASN CA C 19 54.421 54.421 52.431 1.990 25443 5282 1 9 . 1 1 19 19 ASN CB C 19 38.580 38.580 39.811 -1.231 25443 5283 1 9 . 1 1 19 19 ASN H H 19 8.758 8.758 8.436 0.322 25443 5284 1 9 . 1 1 20 20 ARG N N 20 128.821 128.821 122.280 6.541 25443 5285 1 9 . 1 1 20 20 ARG HA H 20 3.790 3.790 4.099 -0.309 25443 5286 1 9 . 1 1 20 20 ARG C C 20 175.566 175.566 177.014 -1.448 25443 5287 1 9 . 1 1 20 20 ARG CA C 20 58.775 58.775 58.791 -0.016 25443 5288 1 9 . 1 1 20 20 ARG CB C 20 29.642 29.642 30.404 -0.762 25443 5289 1 9 . 1 1 20 20 ARG H H 20 8.997 8.997 8.715 0.282 25443 5290 1 9 . 1 1 21 21 GLU N N 21 117.438 117.438 116.513 0.925 25443 5291 1 9 . 1 1 21 21 GLU HA H 21 4.214 4.214 4.187 0.027 25443 5292 1 9 . 1 1 21 21 GLU C C 21 177.076 177.076 176.517 0.559 25443 5293 1 9 . 1 1 21 21 GLU CA C 21 56.677 56.677 56.993 -0.316 25443 5294 1 9 . 1 1 21 21 GLU CB C 21 30.451 30.451 29.308 1.143 25443 5295 1 9 . 1 1 21 21 GLU H H 21 9.043 9.043 8.447 0.596 25443 5296 1 9 . 1 1 22 22 LEU N N 22 116.311 116.311 123.243 -6.932 25443 5297 1 9 . 1 1 22 22 LEU HA H 22 4.491 4.491 4.427 0.064 25443 5298 1 9 . 1 1 22 22 LEU C C 22 178.389 178.389 175.867 2.522 25443 5299 1 9 . 1 1 22 22 LEU CA C 22 55.496 55.496 54.656 0.840 25443 5300 1 9 . 1 1 22 22 LEU CB C 22 42.148 42.148 42.396 -0.248 25443 5301 1 9 . 1 1 22 22 LEU H H 22 7.183 7.183 7.096 0.087 25443 5302 1 9 . 1 1 23 23 THR N N 23 113.850 113.850 119.186 -5.336 25443 5303 1 9 . 1 1 23 23 THR HA H 23 4.289 4.289 4.538 -0.249 25443 5304 1 9 . 1 1 23 23 THR C C 23 175.229 175.229 175.498 -0.269 25443 5305 1 9 . 1 1 23 23 THR CA C 23 59.895 59.895 60.212 -0.317 25443 5306 1 9 . 1 1 23 23 THR CB C 23 71.989 71.989 70.644 1.345 25443 5307 1 9 . 1 1 23 23 THR H H 23 8.743 8.743 7.876 0.867 25443 5308 1 9 . 1 1 24 24 GLU N N 24 119.724 119.724 119.233 0.491 25443 5309 1 9 . 1 1 24 24 GLU HA H 24 3.591 3.591 4.189 -0.598 25443 5310 1 9 . 1 1 24 24 GLU C C 24 178.597 178.597 178.400 0.197 25443 5311 1 9 . 1 1 24 24 GLU CA C 24 63.490 63.490 58.531 4.959 25443 5312 1 9 . 1 1 24 24 GLU CB C 24 27.433 27.433 29.218 -1.784 25443 5313 1 9 . 1 1 24 24 GLU H H 24 9.641 9.641 8.890 0.751 25443 5314 1 9 . 1 1 25 25 GLY N N 25 104.430 104.430 108.510 -4.080 25443 5315 1 9 . 1 1 25 25 GLY C C 25 175.425 175.425 175.768 -0.343 25443 5316 1 9 . 1 1 25 25 GLY CA C 25 47.334 47.334 46.913 0.422 25443 5317 1 9 . 1 1 25 25 GLY H H 25 8.423 8.423 7.696 0.727 25443 5318 1 9 . 1 1 26 26 ASP N N 26 123.128 123.128 122.937 0.191 25443 5319 1 9 . 1 1 26 26 ASP HA H 26 4.530 4.530 4.489 0.041 25443 5320 1 9 . 1 1 26 26 ASP C C 26 177.878 177.878 178.504 -0.626 25443 5321 1 9 . 1 1 26 26 ASP CA C 26 57.429 57.429 57.440 -0.011 25443 5322 1 9 . 1 1 26 26 ASP CB C 26 41.612 41.612 40.525 1.087 25443 5323 1 9 . 1 1 26 26 ASP H H 26 7.859 7.859 7.751 0.108 25443 5324 1 9 . 1 1 27 27 ILE N N 27 118.864 118.864 119.847 -0.983 25443 5325 1 9 . 1 1 27 27 ILE HA H 27 3.534 3.534 3.821 -0.287 25443 5326 1 9 . 1 1 27 27 ILE C C 27 178.225 178.225 178.284 -0.059 25443 5327 1 9 . 1 1 27 27 ILE CA C 27 65.627 65.627 64.385 1.242 25443 5328 1 9 . 1 1 27 27 ILE CB C 27 37.614 37.614 37.225 0.389 25443 5329 1 9 . 1 1 27 27 ILE H H 27 8.055 8.055 7.595 0.460 25443 5330 1 9 . 1 1 28 28 LEU N N 28 119.416 119.416 120.432 -1.016 25443 5331 1 9 . 1 1 28 28 LEU HA H 28 3.861 3.861 4.172 -0.311 25443 5332 1 9 . 1 1 28 28 LEU C C 28 179.884 179.884 178.815 1.069 25443 5333 1 9 . 1 1 28 28 LEU CA C 28 58.758 58.758 58.357 0.401 25443 5334 1 9 . 1 1 28 28 LEU CB C 28 41.137 41.137 41.425 -0.288 25443 5335 1 9 . 1 1 28 28 LEU H H 28 8.423 8.423 8.065 0.358 25443 5336 1 9 . 1 1 29 29 THR N N 29 119.586 119.586 115.774 3.812 25443 5337 1 9 . 1 1 29 29 THR HA H 29 3.790 3.790 4.024 -0.234 25443 5338 1 9 . 1 1 29 29 THR C C 29 176.530 176.530 176.064 0.466 25443 5339 1 9 . 1 1 29 29 THR CA C 29 67.322 67.322 66.962 0.360 25443 5340 1 9 . 1 1 29 29 THR CB C 29 68.372 68.372 68.603 -0.231 25443 5341 1 9 . 1 1 29 29 THR H H 29 8.552 8.552 7.777 0.775 25443 5342 1 9 . 1 1 30 30 VAL N N 30 119.948 119.948 119.342 0.606 25443 5343 1 9 . 1 1 30 30 VAL HA H 30 3.601 3.601 3.637 -0.036 25443 5344 1 9 . 1 1 30 30 VAL C C 30 178.670 178.670 177.760 0.910 25443 5345 1 9 . 1 1 30 30 VAL CA C 30 66.081 66.081 65.139 0.941 25443 5346 1 9 . 1 1 30 30 VAL CB C 30 32.993 32.993 31.277 1.716 25443 5347 1 9 . 1 1 30 30 VAL H H 30 7.959 7.959 8.125 -0.166 25443 5348 1 9 . 1 1 31 31 PHE N N 31 113.636 113.636 118.634 -4.998 25443 5349 1 9 . 1 1 31 31 PHE HA H 31 4.006 4.006 4.328 -0.322 25443 5350 1 9 . 1 1 31 31 PHE C C 31 180.133 180.133 177.800 2.333 25443 5351 1 9 . 1 1 31 31 PHE CA C 31 62.266 62.266 60.732 1.534 25443 5352 1 9 . 1 1 31 31 PHE CB C 31 37.711 37.711 38.672 -0.961 25443 5353 1 9 . 1 1 31 31 PHE H H 31 8.726 8.726 8.040 0.686 25443 5354 1 9 . 1 1 32 32 SER N N 32 119.746 119.746 114.269 5.477 25443 5355 1 9 . 1 1 32 32 SER HA H 32 5.107 5.107 4.294 0.813 25443 5356 1 9 . 1 1 32 32 SER C C 32 173.450 173.450 176.154 -2.704 25443 5357 1 9 . 1 1 32 32 SER CA C 32 61.440 61.440 61.026 0.414 25443 5358 1 9 . 1 1 32 32 SER CB C 32 62.690 62.690 62.355 0.335 25443 5359 1 9 . 1 1 32 32 SER H H 32 8.564 8.564 8.238 0.326 25443 5360 1 9 . 1 1 33 33 GLU N N 33 118.689 118.689 122.890 -4.201 25443 5361 1 9 . 1 1 33 33 GLU HA H 33 3.854 3.854 3.973 -0.119 25443 5362 1 9 . 1 1 33 33 GLU C C 33 176.471 176.471 177.350 -0.879 25443 5363 1 9 . 1 1 33 33 GLU CA C 33 57.997 57.997 58.470 -0.473 25443 5364 1 9 . 1 1 33 33 GLU CB C 33 29.503 29.503 29.012 0.491 25443 5365 1 9 . 1 1 33 33 GLU H H 33 6.733 6.733 7.542 -0.809 25443 5366 1 9 . 1 1 34 34 TYR N N 34 111.313 111.313 116.756 -5.443 25443 5367 1 9 . 1 1 34 34 TYR HA H 34 4.469 4.469 4.336 0.133 25443 5368 1 9 . 1 1 34 34 TYR C C 34 174.351 174.351 176.451 -2.100 25443 5369 1 9 . 1 1 34 34 TYR CA C 34 57.940 57.940 57.807 0.133 25443 5370 1 9 . 1 1 34 34 TYR CB C 34 39.557 39.557 38.630 0.927 25443 5371 1 9 . 1 1 34 34 TYR H H 34 6.662 6.662 7.338 -0.676 25443 5372 1 9 . 1 1 35 35 GLY N N 35 106.055 106.055 106.544 -0.489 25443 5373 1 9 . 1 1 35 35 GLY C C 35 170.709 170.709 173.128 -2.419 25443 5374 1 9 . 1 1 35 35 GLY CA C 35 45.230 45.230 45.380 -0.150 25443 5375 1 9 . 1 1 35 35 GLY H H 35 7.302 7.302 8.203 -0.901 25443 5376 1 9 . 1 1 36 36 VAL N N 36 121.596 121.596 120.342 1.254 25443 5377 1 9 . 1 1 36 36 VAL HA H 36 4.492 4.492 4.476 0.016 25443 5378 1 9 . 1 1 36 36 VAL CA C 36 59.912 59.912 58.787 1.125 25443 5379 1 9 . 1 1 36 36 VAL CB C 36 33.632 33.632 33.675 -0.042 25443 5380 1 9 . 1 1 36 36 VAL H H 36 8.595 8.595 8.004 0.591 25443 5381 1 9 . 1 1 37 37 PRO HA H 37 4.499 4.499 4.584 -0.085 25443 5382 1 9 . 1 1 37 37 PRO C C 37 176.150 176.150 176.354 -0.204 25443 5383 1 9 . 1 1 37 37 PRO CA C 37 62.320 62.320 62.835 -0.515 25443 5384 1 9 . 1 1 37 37 PRO CB C 37 31.945 31.945 31.167 0.778 25443 5385 1 9 . 1 1 38 38 VAL N N 38 114.135 114.135 122.663 -8.528 25443 5386 1 9 . 1 1 38 38 VAL HA H 38 4.436 4.436 4.178 0.258 25443 5387 1 9 . 1 1 38 38 VAL C C 38 175.124 175.124 175.938 -0.814 25443 5388 1 9 . 1 1 38 38 VAL CA C 38 60.488 60.488 60.063 0.425 25443 5389 1 9 . 1 1 38 38 VAL CB C 38 32.560 32.560 33.046 -0.486 25443 5390 1 9 . 1 1 38 38 VAL H H 38 9.006 9.006 7.715 1.291 25443 5391 1 9 . 1 1 39 39 ASP N N 39 118.095 118.095 120.875 -2.780 25443 5392 1 9 . 1 1 39 39 ASP HA H 39 4.626 4.626 4.510 0.116 25443 5393 1 9 . 1 1 39 39 ASP C C 39 174.577 174.577 174.600 -0.023 25443 5394 1 9 . 1 1 39 39 ASP CA C 39 54.706 54.706 55.475 -0.769 25443 5395 1 9 . 1 1 39 39 ASP CB C 39 43.495 43.495 41.855 1.640 25443 5396 1 9 . 1 1 39 39 ASP H H 39 7.454 7.454 8.087 -0.633 25443 5397 1 9 . 1 1 40 40 VAL N N 40 121.566 121.566 123.896 -2.330 25443 5398 1 9 . 1 1 40 40 VAL HA H 40 4.897 4.897 4.721 0.176 25443 5399 1 9 . 1 1 40 40 VAL C C 40 170.928 170.928 174.232 -3.304 25443 5400 1 9 . 1 1 40 40 VAL CA C 40 60.729 60.729 60.049 0.680 25443 5401 1 9 . 1 1 40 40 VAL CB C 40 34.373 34.373 34.623 -0.250 25443 5402 1 9 . 1 1 40 40 VAL H H 40 7.576 7.576 8.225 -0.649 25443 5403 1 9 . 1 1 41 41 ILE N N 41 125.247 125.247 128.401 -3.154 25443 5404 1 9 . 1 1 41 41 ILE HA H 41 4.752 4.752 4.783 -0.031 25443 5405 1 9 . 1 1 41 41 ILE C C 41 175.440 175.440 173.721 1.719 25443 5406 1 9 . 1 1 41 41 ILE CA C 41 61.609 61.609 60.560 1.049 25443 5407 1 9 . 1 1 41 41 ILE H H 41 8.929 8.929 9.228 -0.299 25443 5408 1 9 . 1 1 42 42 LEU N N 42 128.791 128.791 128.611 0.180 25443 5409 1 9 . 1 1 42 42 LEU HA H 42 4.387 4.387 4.651 -0.264 25443 5410 1 9 . 1 1 42 42 LEU C C 42 174.979 174.979 175.435 -0.456 25443 5411 1 9 . 1 1 42 42 LEU CA C 42 53.345 53.345 53.547 -0.202 25443 5412 1 9 . 1 1 42 42 LEU CB C 42 43.298 43.298 43.690 -0.392 25443 5413 1 9 . 1 1 42 42 LEU H H 42 8.309 8.309 8.901 -0.592 25443 5414 1 9 . 1 1 43 43 SER N N 43 122.753 122.753 122.703 0.050 25443 5415 1 9 . 1 1 43 43 SER HA H 43 3.821 3.821 4.116 -0.295 25443 5416 1 9 . 1 1 43 43 SER C C 43 173.870 173.870 173.128 0.742 25443 5417 1 9 . 1 1 43 43 SER CA C 43 59.707 59.707 58.059 1.648 25443 5418 1 9 . 1 1 43 43 SER CB C 43 62.714 62.714 62.200 0.514 25443 5419 1 9 . 1 1 43 43 SER H H 43 8.317 8.317 8.310 0.007 25443 5420 1 9 . 1 1 44 44 ARG N N 44 128.068 128.068 127.989 0.079 25443 5421 1 9 . 1 1 44 44 ARG HA H 44 4.763 4.763 4.673 0.090 25443 5422 1 9 . 1 1 44 44 ARG C C 44 175.094 175.094 175.831 -0.737 25443 5423 1 9 . 1 1 44 44 ARG CA C 44 54.100 54.100 54.944 -0.844 25443 5424 1 9 . 1 1 44 44 ARG CB C 44 34.218 34.218 31.980 2.238 25443 5425 1 9 . 1 1 44 44 ARG H H 44 8.152 8.152 7.462 0.690 25443 5426 1 9 . 1 1 45 45 ASP N N 45 123.595 123.595 124.628 -1.033 25443 5427 1 9 . 1 1 45 45 ASP HA H 45 4.172 4.172 4.612 -0.440 25443 5428 1 9 . 1 1 45 45 ASP C C 45 177.467 177.467 177.090 0.377 25443 5429 1 9 . 1 1 45 45 ASP CA C 45 54.898 54.898 53.417 1.481 25443 5430 1 9 . 1 1 45 45 ASP CB C 45 43.568 43.568 42.582 0.986 25443 5431 1 9 . 1 1 45 45 ASP H H 45 8.628 8.628 8.961 -0.333 25443 5432 1 9 . 1 1 46 46 GLU N N 46 125.161 125.161 121.051 4.110 25443 5433 1 9 . 1 1 46 46 GLU HA H 46 3.843 3.843 4.120 -0.277 25443 5434 1 9 . 1 1 46 46 GLU C C 46 175.690 175.690 176.313 -0.623 25443 5435 1 9 . 1 1 46 46 GLU CA C 46 58.861 58.861 58.449 0.412 25443 5436 1 9 . 1 1 46 46 GLU CB C 46 29.636 29.636 28.801 0.835 25443 5437 1 9 . 1 1 46 46 GLU H H 46 9.013 9.013 8.801 0.212 25443 5438 1 9 . 1 1 47 47 ASN N N 47 115.135 115.135 118.493 -3.358 25443 5439 1 9 . 1 1 47 47 ASN HA H 47 4.842 4.842 4.624 0.218 25443 5440 1 9 . 1 1 47 47 ASN C C 47 176.655 176.655 176.920 -0.265 25443 5441 1 9 . 1 1 47 47 ASN CA C 47 54.897 54.897 55.263 -0.366 25443 5442 1 9 . 1 1 47 47 ASN CB C 47 40.141 40.141 39.163 0.978 25443 5443 1 9 . 1 1 47 47 ASN H H 47 8.926 8.926 7.880 1.046 25443 5444 1 9 . 1 1 48 48 THR N N 48 107.544 107.544 111.082 -3.538 25443 5445 1 9 . 1 1 48 48 THR HA H 48 4.400 4.400 4.478 -0.078 25443 5446 1 9 . 1 1 48 48 THR C C 48 176.484 176.484 175.048 1.436 25443 5447 1 9 . 1 1 48 48 THR CA C 48 61.513 61.513 62.228 -0.715 25443 5448 1 9 . 1 1 48 48 THR CB C 48 71.189 71.189 70.683 0.506 25443 5449 1 9 . 1 1 48 48 THR H H 48 8.455 8.455 8.824 -0.369 25443 5450 1 9 . 1 1 49 49 GLY N N 49 111.753 111.753 111.971 -0.218 25443 5451 1 9 . 1 1 49 49 GLY C C 49 173.167 173.167 173.662 -0.495 25443 5452 1 9 . 1 1 49 49 GLY CA C 49 45.628 45.628 44.940 0.688 25443 5453 1 9 . 1 1 49 49 GLY H H 49 8.607 8.607 8.486 0.121 25443 5454 1 9 . 1 1 50 50 GLU N N 50 119.978 119.978 119.911 0.067 25443 5455 1 9 . 1 1 50 50 GLU HA H 50 4.071 4.071 4.755 -0.684 25443 5456 1 9 . 1 1 50 50 GLU C C 50 176.629 176.629 175.510 1.119 25443 5457 1 9 . 1 1 50 50 GLU CA C 50 56.500 56.500 54.058 2.442 25443 5458 1 9 . 1 1 50 50 GLU CB C 50 30.927 30.927 32.556 -1.629 25443 5459 1 9 . 1 1 50 50 GLU H H 50 7.796 7.796 8.508 -0.712 25443 5460 1 9 . 1 1 51 51 SER N N 51 115.672 115.672 114.905 0.767 25443 5461 1 9 . 1 1 51 51 SER HA H 51 4.205 4.205 4.429 -0.224 25443 5462 1 9 . 1 1 51 51 SER C C 51 176.532 176.532 175.239 1.293 25443 5463 1 9 . 1 1 51 51 SER CA C 51 58.320 58.320 58.437 -0.117 25443 5464 1 9 . 1 1 51 51 SER CB C 51 64.596 64.596 63.484 1.111 25443 5465 1 9 . 1 1 51 51 SER H H 51 8.889 8.889 8.914 -0.025 25443 5466 1 9 . 1 1 52 52 GLN N N 52 123.139 123.139 126.343 -3.204 25443 5467 1 9 . 1 1 52 52 GLN HA H 52 4.421 4.421 4.261 0.160 25443 5468 1 9 . 1 1 52 52 GLN C C 52 177.396 177.396 176.986 0.410 25443 5469 1 9 . 1 1 52 52 GLN CA C 52 55.051 55.051 56.911 -1.860 25443 5470 1 9 . 1 1 52 52 GLN CB C 52 29.874 29.874 29.302 0.573 25443 5471 1 9 . 1 1 52 52 GLN H H 52 9.078 9.078 8.887 0.191 25443 5472 1 9 . 1 1 53 53 GLY N N 53 105.904 105.904 106.484 -0.580 25443 5473 1 9 . 1 1 53 53 GLY C C 53 172.046 172.046 173.215 -1.169 25443 5474 1 9 . 1 1 53 53 GLY CA C 53 46.550 46.550 45.125 1.425 25443 5475 1 9 . 1 1 53 53 GLY H H 53 8.851 8.851 7.807 1.044 25443 5476 1 9 . 1 1 54 54 PHE N N 54 111.888 111.888 115.741 -3.853 25443 5477 1 9 . 1 1 54 54 PHE HA H 54 5.253 5.253 5.433 -0.180 25443 5478 1 9 . 1 1 54 54 PHE C C 54 171.570 171.570 172.719 -1.149 25443 5479 1 9 . 1 1 54 54 PHE CA C 54 55.592 55.592 53.872 1.720 25443 5480 1 9 . 1 1 54 54 PHE CB C 54 40.806 40.806 41.324 -0.518 25443 5481 1 9 . 1 1 54 54 PHE H H 54 6.827 6.827 7.174 -0.347 25443 5482 1 9 . 1 1 55 55 ALA N N 55 121.888 121.888 119.683 2.205 25443 5483 1 9 . 1 1 55 55 ALA HA H 55 5.032 5.032 4.747 0.285 25443 5484 1 9 . 1 1 55 55 ALA C C 55 172.957 172.957 174.334 -1.377 25443 5485 1 9 . 1 1 55 55 ALA CA C 55 49.477 49.477 50.864 -1.387 25443 5486 1 9 . 1 1 55 55 ALA H H 55 8.927 8.927 7.990 0.937 25443 5487 1 9 . 1 1 56 56 TYR N N 56 115.049 115.049 115.243 -0.194 25443 5488 1 9 . 1 1 56 56 TYR HA H 56 5.602 5.602 5.628 -0.026 25443 5489 1 9 . 1 1 56 56 TYR C C 56 175.162 175.162 174.036 1.126 25443 5490 1 9 . 1 1 56 56 TYR CA C 56 55.444 55.444 56.823 -1.379 25443 5491 1 9 . 1 1 56 56 TYR CB C 56 42.189 42.189 43.179 -0.990 25443 5492 1 9 . 1 1 56 56 TYR H H 56 9.020 9.020 8.971 0.049 25443 5493 1 9 . 1 1 57 57 LEU N N 57 122.745 122.745 121.508 1.237 25443 5494 1 9 . 1 1 57 57 LEU HA H 57 4.713 4.713 5.051 -0.338 25443 5495 1 9 . 1 1 57 57 LEU C C 57 172.371 172.371 174.168 -1.797 25443 5496 1 9 . 1 1 57 57 LEU CA C 57 54.712 54.712 54.039 0.673 25443 5497 1 9 . 1 1 57 57 LEU CB C 57 46.754 46.754 46.558 0.196 25443 5498 1 9 . 1 1 57 57 LEU H H 57 8.706 8.706 8.924 -0.218 25443 5499 1 9 . 1 1 58 58 LYS N N 58 125.469 125.469 124.719 0.750 25443 5500 1 9 . 1 1 58 58 LYS HA H 58 4.467 4.467 4.313 0.154 25443 5501 1 9 . 1 1 58 58 LYS C C 58 175.152 175.152 173.821 1.331 25443 5502 1 9 . 1 1 58 58 LYS CA C 58 54.494 54.494 54.176 0.318 25443 5503 1 9 . 1 1 58 58 LYS CB C 58 36.479 36.479 35.069 1.410 25443 5504 1 9 . 1 1 58 58 LYS H H 58 7.948 7.948 8.847 -0.899 25443 5505 1 9 . 1 1 59 59 TYR N N 59 126.261 126.261 122.401 3.860 25443 5506 1 9 . 1 1 59 59 TYR HA H 59 5.003 5.003 4.758 0.245 25443 5507 1 9 . 1 1 59 59 TYR C C 59 176.020 176.020 174.465 1.555 25443 5508 1 9 . 1 1 59 59 TYR CA C 59 57.992 57.992 54.800 3.192 25443 5509 1 9 . 1 1 59 59 TYR CB C 59 41.715 41.715 40.496 1.219 25443 5510 1 9 . 1 1 59 59 TYR H H 59 8.957 8.957 7.378 1.579 25443 5511 1 9 . 1 1 60 60 GLU N N 60 120.342 120.342 122.157 -1.815 25443 5512 1 9 . 1 1 60 60 GLU HA H 60 3.839 3.839 4.539 -0.700 25443 5513 1 9 . 1 1 60 60 GLU C C 60 175.346 175.346 175.668 -0.322 25443 5514 1 9 . 1 1 60 60 GLU CA C 60 59.057 59.057 56.140 2.917 25443 5515 1 9 . 1 1 60 60 GLU CB C 60 30.653 30.653 29.911 0.742 25443 5516 1 9 . 1 1 60 60 GLU H H 60 8.845 8.845 8.759 0.086 25443 5517 1 9 . 1 1 61 61 ASP N N 61 116.193 116.193 124.184 -7.991 25443 5518 1 9 . 1 1 61 61 ASP HA H 61 4.915 4.915 4.604 0.311 25443 5519 1 9 . 1 1 61 61 ASP C C 61 176.659 176.659 175.810 0.849 25443 5520 1 9 . 1 1 61 61 ASP CA C 61 51.856 51.856 54.722 -2.866 25443 5521 1 9 . 1 1 61 61 ASP CB C 61 43.726 43.726 41.760 1.966 25443 5522 1 9 . 1 1 61 61 ASP H H 61 7.922 7.922 8.144 -0.222 25443 5523 1 9 . 1 1 62 62 GLN N N 62 125.812 125.812 124.411 1.401 25443 5524 1 9 . 1 1 62 62 GLN HA H 62 4.221 4.221 4.123 0.098 25443 5525 1 9 . 1 1 62 62 GLN C C 62 178.430 178.430 177.379 1.051 25443 5526 1 9 . 1 1 62 62 GLN CA C 62 58.449 58.449 58.644 -0.195 25443 5527 1 9 . 1 1 62 62 GLN CB C 62 28.076 28.076 28.852 -0.776 25443 5528 1 9 . 1 1 62 62 GLN H H 62 8.964 8.964 8.740 0.224 25443 5529 1 9 . 1 1 63 63 ARG N N 63 120.943 120.943 118.143 2.800 25443 5530 1 9 . 1 1 63 63 ARG HA H 63 3.979 3.979 4.085 -0.106 25443 5531 1 9 . 1 1 63 63 ARG C C 63 179.350 179.350 178.582 0.768 25443 5532 1 9 . 1 1 63 63 ARG CA C 63 59.398 59.398 58.706 0.692 25443 5533 1 9 . 1 1 63 63 ARG CB C 63 29.466 29.466 29.292 0.174 25443 5534 1 9 . 1 1 63 63 ARG H H 63 8.965 8.965 8.351 0.614 25443 5535 1 9 . 1 1 64 64 SER N N 64 115.358 115.358 114.354 1.004 25443 5536 1 9 . 1 1 64 64 SER HA H 64 3.898 3.898 4.027 -0.129 25443 5537 1 9 . 1 1 64 64 SER C C 64 174.444 174.444 175.830 -1.386 25443 5538 1 9 . 1 1 64 64 SER CA C 64 62.459 62.459 61.759 0.700 25443 5539 1 9 . 1 1 64 64 SER CB C 64 62.040 62.040 62.019 0.021 25443 5540 1 9 . 1 1 64 64 SER H H 64 8.065 8.065 8.869 -0.804 25443 5541 1 9 . 1 1 65 65 THR N N 65 113.614 113.614 115.652 -2.038 25443 5542 1 9 . 1 1 65 65 THR HA H 65 3.751 3.751 4.354 -0.604 25443 5543 1 9 . 1 1 65 65 THR C C 65 175.357 175.357 176.792 -1.435 25443 5544 1 9 . 1 1 65 65 THR CA C 65 66.292 66.292 65.349 0.943 25443 5545 1 9 . 1 1 65 65 THR CB C 65 68.457 68.457 68.746 -0.289 25443 5546 1 9 . 1 1 65 65 THR H H 65 7.484 7.484 7.478 0.006 25443 5547 1 9 . 1 1 66 66 ILE N N 66 120.736 120.736 122.178 -1.442 25443 5548 1 9 . 1 1 66 66 ILE HA H 66 3.653 3.653 3.964 -0.311 25443 5549 1 9 . 1 1 66 66 ILE C C 66 177.518 177.518 177.916 -0.398 25443 5550 1 9 . 1 1 66 66 ILE CA C 66 64.014 64.014 64.550 -0.536 25443 5551 1 9 . 1 1 66 66 ILE CB C 66 42.194 42.194 37.570 4.624 25443 5552 1 9 . 1 1 66 66 ILE H H 66 6.976 6.976 7.411 -0.435 25443 5553 1 9 . 1 1 67 67 LEU N N 67 117.584 117.584 121.378 -3.794 25443 5554 1 9 . 1 1 67 67 LEU HA H 67 3.921 3.921 3.841 0.080 25443 5555 1 9 . 1 1 67 67 LEU C C 67 179.650 179.650 178.351 1.299 25443 5556 1 9 . 1 1 67 67 LEU CA C 67 57.452 57.452 58.198 -0.746 25443 5557 1 9 . 1 1 67 67 LEU CB C 67 42.172 42.172 41.737 0.435 25443 5558 1 9 . 1 1 67 67 LEU H H 67 7.006 7.006 7.968 -0.962 25443 5559 1 9 . 1 1 68 68 ALA N N 68 121.025 121.025 120.938 0.087 25443 5560 1 9 . 1 1 68 68 ALA HA H 68 3.285 3.285 4.075 -0.790 25443 5561 1 9 . 1 1 68 68 ALA C C 68 179.216 179.216 180.034 -0.818 25443 5562 1 9 . 1 1 68 68 ALA CA C 68 55.564 55.564 54.951 0.613 25443 5563 1 9 . 1 1 68 68 ALA CB C 68 18.852 18.852 18.479 0.373 25443 5564 1 9 . 1 1 68 68 ALA H H 68 8.121 8.121 8.284 -0.163 25443 5565 1 9 . 1 1 69 69 VAL N N 69 117.799 117.799 116.049 1.750 25443 5566 1 9 . 1 1 69 69 VAL HA H 69 3.243 3.243 3.841 -0.598 25443 5567 1 9 . 1 1 69 69 VAL C C 69 178.541 178.541 177.431 1.110 25443 5568 1 9 . 1 1 69 69 VAL CA C 69 67.237 67.237 66.779 0.458 25443 5569 1 9 . 1 1 69 69 VAL CB C 69 31.679 31.679 31.903 -0.224 25443 5570 1 9 . 1 1 69 69 VAL H H 69 8.012 8.012 7.728 0.284 25443 5571 1 9 . 1 1 70 70 ASP N N 70 117.013 117.013 117.147 -0.134 25443 5572 1 9 . 1 1 70 70 ASP HA H 70 4.339 4.339 4.601 -0.262 25443 5573 1 9 . 1 1 70 70 ASP C C 70 178.330 178.330 177.180 1.150 25443 5574 1 9 . 1 1 70 70 ASP CA C 70 57.131 57.131 56.169 0.962 25443 5575 1 9 . 1 1 70 70 ASP CB C 70 40.465 40.465 41.747 -1.282 25443 5576 1 9 . 1 1 70 70 ASP H H 70 8.216 8.216 7.889 0.326 25443 5577 1 9 . 1 1 71 71 ASN N N 71 112.777 112.777 116.589 -3.812 25443 5578 1 9 . 1 1 71 71 ASN HA H 71 4.587 4.587 4.723 -0.136 25443 5579 1 9 . 1 1 71 71 ASN C C 71 176.314 176.314 176.586 -0.272 25443 5580 1 9 . 1 1 71 71 ASN CA C 71 55.474 55.474 54.853 0.621 25443 5581 1 9 . 1 1 71 71 ASN CB C 71 40.592 40.592 39.517 1.075 25443 5582 1 9 . 1 1 71 71 ASN H H 71 7.582 7.582 8.348 -0.766 25443 5583 1 9 . 1 1 72 72 LEU N N 72 116.551 116.551 118.308 -1.757 25443 5584 1 9 . 1 1 72 72 LEU HA H 72 4.494 4.494 4.384 0.110 25443 5585 1 9 . 1 1 72 72 LEU C C 72 177.500 177.500 176.650 0.850 25443 5586 1 9 . 1 1 72 72 LEU CA C 72 54.590 54.590 55.594 -1.004 25443 5587 1 9 . 1 1 72 72 LEU CB C 72 42.862 42.862 43.021 -0.159 25443 5588 1 9 . 1 1 72 72 LEU H H 72 8.201 8.201 8.165 0.036 25443 5589 1 9 . 1 1 73 73 ASN N N 73 118.974 118.974 117.714 1.260 25443 5590 1 9 . 1 1 73 73 ASN HA H 73 4.392 4.392 4.824 -0.432 25443 5591 1 9 . 1 1 73 73 ASN C C 73 177.151 177.151 176.354 0.797 25443 5592 1 9 . 1 1 73 73 ASN CA C 73 56.276 56.276 54.838 1.438 25443 5593 1 9 . 1 1 73 73 ASN CB C 73 38.853 38.853 38.506 0.347 25443 5594 1 9 . 1 1 73 73 ASN H H 73 7.406 7.406 7.639 -0.233 25443 5595 1 9 . 1 1 74 74 GLY N N 74 116.478 116.478 114.234 2.244 25443 5596 1 9 . 1 1 74 74 GLY C C 74 172.756 172.756 173.955 -1.199 25443 5597 1 9 . 1 1 74 74 GLY CA C 74 45.662 45.662 44.829 0.833 25443 5598 1 9 . 1 1 74 74 GLY H H 74 9.106 9.106 8.895 0.211 25443 5599 1 9 . 1 1 75 75 PHE N N 75 123.853 123.853 122.831 1.022 25443 5600 1 9 . 1 1 75 75 PHE HA H 75 4.328 4.328 4.444 -0.116 25443 5601 1 9 . 1 1 75 75 PHE C C 75 175.065 175.065 174.858 0.207 25443 5602 1 9 . 1 1 75 75 PHE CA C 75 58.371 58.371 58.126 0.245 25443 5603 1 9 . 1 1 75 75 PHE CB C 75 40.947 40.947 40.108 0.839 25443 5604 1 9 . 1 1 75 75 PHE H H 75 8.074 8.074 7.986 0.088 25443 5605 1 9 . 1 1 76 76 LYS N N 76 126.700 126.700 127.719 -1.019 25443 5606 1 9 . 1 1 76 76 LYS HA H 76 4.536 4.536 4.532 0.004 25443 5607 1 9 . 1 1 76 76 LYS C C 76 175.395 175.395 175.679 -0.284 25443 5608 1 9 . 1 1 76 76 LYS CA C 76 56.227 56.227 55.688 0.540 25443 5609 1 9 . 1 1 76 76 LYS CB C 76 32.969 32.969 31.855 1.114 25443 5610 1 9 . 1 1 76 76 LYS H H 76 7.766 7.766 7.967 -0.201 25443 5611 1 9 . 1 1 77 77 ILE N N 77 120.686 120.686 125.945 -5.259 25443 5612 1 9 . 1 1 77 77 ILE HA H 77 4.231 4.231 4.192 0.039 25443 5613 1 9 . 1 1 77 77 ILE C C 77 177.605 177.605 176.336 1.269 25443 5614 1 9 . 1 1 77 77 ILE CA C 77 59.981 59.981 59.728 0.253 25443 5615 1 9 . 1 1 77 77 ILE CB C 77 40.409 40.409 38.135 2.274 25443 5616 1 9 . 1 1 77 77 ILE H H 77 8.005 8.005 9.009 -1.004 25443 5617 1 9 . 1 1 78 78 GLY N N 78 118.352 118.352 117.258 1.094 25443 5618 1 9 . 1 1 78 78 GLY C C 78 175.639 175.639 175.230 0.409 25443 5619 1 9 . 1 1 78 78 GLY CA C 78 47.227 47.227 45.363 1.864 25443 5620 1 9 . 1 1 78 78 GLY H H 78 9.800 9.800 8.832 0.968 25443 5621 1 9 . 1 1 79 79 GLY N N 79 104.167 104.167 104.794 -0.627 25443 5622 1 9 . 1 1 79 79 GLY C C 79 173.371 173.371 173.979 -0.608 25443 5623 1 9 . 1 1 79 79 GLY CA C 79 45.037 45.037 44.732 0.305 25443 5624 1 9 . 1 1 79 79 GLY H H 79 8.795 8.795 8.153 0.642 25443 5625 1 9 . 1 1 80 80 ARG N N 80 119.090 119.090 121.353 -2.263 25443 5626 1 9 . 1 1 80 80 ARG HA H 80 4.590 4.590 4.715 -0.125 25443 5627 1 9 . 1 1 80 80 ARG C C 80 174.563 174.563 174.440 0.123 25443 5628 1 9 . 1 1 80 80 ARG CA C 80 54.615 54.615 54.251 0.364 25443 5629 1 9 . 1 1 80 80 ARG CB C 80 33.487 33.487 32.935 0.551 25443 5630 1 9 . 1 1 80 80 ARG H H 80 7.281 7.281 7.564 -0.283 25443 5631 1 9 . 1 1 81 81 ALA N N 81 126.039 126.039 125.004 1.035 25443 5632 1 9 . 1 1 81 81 ALA HA H 81 4.216 4.216 5.105 -0.889 25443 5633 1 9 . 1 1 81 81 ALA C C 81 177.149 177.149 177.126 0.023 25443 5634 1 9 . 1 1 81 81 ALA CA C 81 51.081 51.081 50.638 0.443 25443 5635 1 9 . 1 1 81 81 ALA CB C 81 19.226 19.226 20.187 -0.961 25443 5636 1 9 . 1 1 81 81 ALA H H 81 8.651 8.651 8.457 0.194 25443 5637 1 9 . 1 1 82 82 LEU N N 82 125.451 125.451 123.170 2.281 25443 5638 1 9 . 1 1 82 82 LEU HA H 82 4.390 4.390 4.410 -0.020 25443 5639 1 9 . 1 1 82 82 LEU C C 82 177.498 177.498 176.431 1.067 25443 5640 1 9 . 1 1 82 82 LEU CA C 82 56.065 56.065 54.572 1.493 25443 5641 1 9 . 1 1 82 82 LEU CB C 82 43.267 43.267 42.638 0.629 25443 5642 1 9 . 1 1 82 82 LEU H H 82 8.805 8.805 8.588 0.217 25443 5643 1 9 . 1 1 83 83 LYS N N 83 123.253 123.253 126.681 -3.428 25443 5644 1 9 . 1 1 83 83 LYS C C 83 174.892 174.892 175.413 -0.521 25443 5645 1 9 . 1 1 83 83 LYS CA C 83 54.892 54.892 55.380 -0.488 25443 5646 1 9 . 1 1 83 83 LYS H H 83 7.768 7.768 8.691 -0.923 25443 5647 1 9 . 1 1 84 84 ILE N N 84 125.577 125.577 128.156 -2.579 25443 5648 1 9 . 1 1 84 84 ILE HA H 84 5.581 5.581 5.028 0.553 25443 5649 1 9 . 1 1 84 84 ILE C C 84 174.901 174.901 175.167 -0.266 25443 5650 1 9 . 1 1 84 84 ILE CA C 84 58.803 58.803 58.392 0.410 25443 5651 1 9 . 1 1 84 84 ILE CB C 84 40.306 40.306 37.643 2.663 25443 5652 1 9 . 1 1 84 84 ILE H H 84 8.616 8.616 9.469 -0.853 25443 5653 1 9 . 1 1 85 85 ASP N N 85 125.373 125.373 127.035 -1.662 25443 5654 1 9 . 1 1 85 85 ASP HA H 85 4.909 4.909 5.104 -0.195 25443 5655 1 9 . 1 1 85 85 ASP C C 85 174.826 174.826 174.958 -0.132 25443 5656 1 9 . 1 1 85 85 ASP CA C 85 52.372 52.372 51.726 0.646 25443 5657 1 9 . 1 1 85 85 ASP CB C 85 45.290 45.290 44.739 0.551 25443 5658 1 9 . 1 1 85 85 ASP H H 85 8.907 8.907 9.111 -0.204 25443 5659 1 9 . 1 1 86 86 HIS N N 86 121.396 121.396 123.102 -1.706 25443 5660 1 9 . 1 1 86 86 HIS CA C 86 57.540 57.540 56.996 0.544 25443 5661 1 9 . 1 1 86 86 HIS CB C 86 30.985 30.985 30.391 0.594 25443 5662 1 9 . 1 1 86 86 HIS H H 86 8.970 8.970 8.935 0.035 25443 5663 1 9 . 1 1 87 87 THR N N 87 116.761 116.761 119.375 -2.614 25443 5664 1 9 . 1 1 87 87 THR HA H 87 4.652 4.652 4.599 0.053 25443 5665 1 9 . 1 1 87 87 THR C C 87 171.272 171.272 173.516 -2.244 25443 5666 1 9 . 1 1 87 87 THR CA C 87 60.710 60.710 61.253 -0.543 25443 5667 1 9 . 1 1 87 87 THR CB C 87 69.764 69.764 70.543 -0.779 25443 5668 1 9 . 1 1 87 87 THR H H 87 8.557 8.557 8.647 -0.090 25443 5669 1 9 . 1 1 88 88 PHE N N 88 120.343 120.343 126.347 -6.004 25443 5670 1 9 . 1 1 88 88 PHE HA H 88 5.273 5.273 4.784 0.489 25443 5671 1 9 . 1 1 88 88 PHE C C 88 174.288 174.288 173.399 0.889 25443 5672 1 9 . 1 1 88 88 PHE CA C 88 55.959 55.959 56.878 -0.919 25443 5673 1 9 . 1 1 88 88 PHE CB C 88 41.079 41.079 39.181 1.898 25443 5674 1 9 . 1 1 88 88 PHE H H 88 8.114 8.114 8.615 -0.501 25443 5675 1 9 . 1 1 89 89 TYR N N 89 123.043 123.043 128.867 -5.824 25443 5676 1 9 . 1 1 89 89 TYR HA H 89 4.026 4.026 4.215 -0.189 25443 5677 1 9 . 1 1 89 89 TYR C C 89 173.155 173.155 173.227 -0.072 25443 5678 1 9 . 1 1 89 89 TYR CA C 89 57.493 57.493 56.671 0.822 25443 5679 1 9 . 1 1 89 89 TYR CB C 89 39.829 39.829 41.317 -1.488 25443 5680 1 9 . 1 1 89 89 TYR H H 89 8.176 8.176 7.478 0.698 25443 5681 1 9 . 1 1 90 90 ARG N N 90 129.004 129.004 126.437 2.567 25443 5682 1 9 . 1 1 90 90 ARG HA H 90 4.398 4.398 4.101 0.297 25443 5683 1 9 . 1 1 90 90 ARG CA C 90 51.548 51.548 51.873 -0.325 25443 5684 1 9 . 1 1 90 90 ARG CB C 90 30.882 30.882 30.799 0.083 25443 5685 1 9 . 1 1 90 90 ARG H H 90 7.078 7.078 7.452 -0.374 25443 5686 1 9 . 1 1 91 91 PRO HA H 91 4.155 4.155 4.269 -0.114 25443 5687 1 9 . 1 1 91 91 PRO C C 91 176.340 176.340 176.401 -0.061 25443 5688 1 9 . 1 1 91 91 PRO CA C 91 62.454 62.454 62.083 0.371 25443 5689 1 9 . 1 1 91 91 PRO CB C 91 33.072 33.072 32.032 1.040 25443 5690 1 9 . 1 1 92 92 LYS N N 92 119.682 119.682 120.501 -0.819 25443 5691 1 9 . 1 1 92 92 LYS CA C 92 54.711 54.711 55.230 -0.519 25443 5692 1 9 . 1 1 92 92 LYS H H 92 8.644 8.644 8.441 0.203 25443 5693 1 9 . 1 1 93 93 ARG C C 93 178.899 178.899 177.253 1.646 25443 5694 1 9 . 1 1 93 93 ARG CA C 93 59.125 59.125 58.688 0.437 25443 5695 1 9 . 1 1 94 94 SER N N 94 112.166 112.166 116.083 -3.917 25443 5696 1 9 . 1 1 94 94 SER HA H 94 4.176 4.176 4.344 -0.168 25443 5697 1 9 . 1 1 94 94 SER C C 94 175.776 175.776 175.196 0.580 25443 5698 1 9 . 1 1 94 94 SER CA C 94 60.031 60.031 59.886 0.145 25443 5699 1 9 . 1 1 94 94 SER CB C 94 62.152 62.152 62.910 -0.758 25443 5700 1 9 . 1 1 94 94 SER H H 94 8.299 8.299 8.094 0.205 25443 5701 1 9 . 1 1 95 95 LEU N N 95 122.179 122.179 123.229 -1.050 25443 5702 1 9 . 1 1 95 95 LEU HA H 95 4.651 4.651 4.576 0.075 25443 5703 1 9 . 1 1 95 95 LEU C C 95 175.381 175.381 176.941 -1.560 25443 5704 1 9 . 1 1 95 95 LEU CA C 95 53.934 53.934 53.531 0.403 25443 5705 1 9 . 1 1 95 95 LEU CB C 95 41.861 41.861 40.560 1.301 25443 5706 1 9 . 1 1 95 95 LEU H H 95 7.159 7.159 7.493 -0.334 25443 5707 1 9 . 1 1 96 96 GLN N N 96 118.834 118.834 120.122 -1.288 25443 5708 1 9 . 1 1 96 96 GLN HA H 96 4.030 4.030 4.115 -0.085 25443 5709 1 9 . 1 1 96 96 GLN C C 96 177.751 177.751 177.661 0.090 25443 5710 1 9 . 1 1 96 96 GLN CA C 96 60.705 60.705 59.041 1.664 25443 5711 1 9 . 1 1 96 96 GLN CB C 96 28.822 28.822 28.133 0.689 25443 5712 1 9 . 1 1 96 96 GLN H H 96 7.329 7.329 8.052 -0.723 25443 5713 1 9 . 1 1 97 97 LYS N N 97 116.469 116.469 120.231 -3.762 25443 5714 1 9 . 1 1 97 97 LYS HA H 97 4.060 4.060 3.955 0.105 25443 5715 1 9 . 1 1 97 97 LYS C C 97 179.164 179.164 178.538 0.626 25443 5716 1 9 . 1 1 97 97 LYS CA C 97 59.430 59.430 59.540 -0.110 25443 5717 1 9 . 1 1 97 97 LYS CB C 97 31.511 31.511 32.078 -0.567 25443 5718 1 9 . 1 1 97 97 LYS H H 97 8.614 8.614 8.296 0.318 25443 5719 1 9 . 1 1 98 98 TYR N N 98 124.165 124.165 121.148 3.017 25443 5720 1 9 . 1 1 98 98 TYR HA H 98 4.079 4.079 4.015 0.064 25443 5721 1 9 . 1 1 98 98 TYR C C 98 177.316 177.316 177.881 -0.565 25443 5722 1 9 . 1 1 98 98 TYR CA C 98 62.205 62.205 61.548 0.657 25443 5723 1 9 . 1 1 98 98 TYR CB C 98 37.162 37.162 38.047 -0.885 25443 5724 1 9 . 1 1 98 98 TYR H H 98 7.585 7.585 7.664 -0.079 25443 5725 1 9 . 1 1 99 99 TYR N N 99 117.955 117.955 117.092 0.863 25443 5726 1 9 . 1 1 99 99 TYR HA H 99 5.078 5.078 3.964 1.114 25443 5727 1 9 . 1 1 99 99 TYR C C 99 180.957 180.957 178.272 2.685 25443 5728 1 9 . 1 1 99 99 TYR CA C 99 57.741 57.741 61.319 -3.578 25443 5729 1 9 . 1 1 99 99 TYR CB C 99 37.083 37.083 37.684 -0.601 25443 5730 1 9 . 1 1 99 99 TYR H H 99 8.660 8.660 7.810 0.850 25443 5731 1 9 . 1 1 100 100 GLU N N 100 118.796 118.796 120.381 -1.585 25443 5732 1 9 . 1 1 100 100 GLU HA H 100 4.024 4.024 3.909 0.115 25443 5733 1 9 . 1 1 100 100 GLU C C 100 178.571 178.571 178.588 -0.017 25443 5734 1 9 . 1 1 100 100 GLU CA C 100 59.400 59.400 59.364 0.036 25443 5735 1 9 . 1 1 100 100 GLU CB C 100 29.660 29.660 29.630 0.030 25443 5736 1 9 . 1 1 100 100 GLU H H 100 8.263 8.263 8.250 0.013 25443 5737 1 9 . 1 1 101 101 ALA N N 101 123.346 123.346 122.386 0.960 25443 5738 1 9 . 1 1 101 101 ALA HA H 101 4.244 4.244 4.032 0.212 25443 5739 1 9 . 1 1 101 101 ALA C C 101 181.331 181.331 180.175 1.156 25443 5740 1 9 . 1 1 101 101 ALA CA C 101 54.851 54.851 55.239 -0.388 25443 5741 1 9 . 1 1 101 101 ALA CB C 101 18.559 18.559 18.244 0.315 25443 5742 1 9 . 1 1 101 101 ALA H H 101 7.966 7.966 8.392 -0.426 25443 5743 1 9 . 1 1 102 102 VAL N N 102 120.241 120.241 118.314 1.927 25443 5744 1 9 . 1 1 102 102 VAL HA H 102 3.713 3.713 3.530 0.183 25443 5745 1 9 . 1 1 102 102 VAL C C 102 176.967 176.967 177.837 -0.870 25443 5746 1 9 . 1 1 102 102 VAL CA C 102 67.433 67.433 66.160 1.273 25443 5747 1 9 . 1 1 102 102 VAL CB C 102 31.721 31.721 30.714 1.007 25443 5748 1 9 . 1 1 102 102 VAL H H 102 8.331 8.331 7.976 0.355 25443 5749 1 9 . 1 1 103 103 LYS N N 103 120.001 120.001 120.949 -0.948 25443 5750 1 9 . 1 1 103 103 LYS HA H 103 3.859 3.859 3.891 -0.032 25443 5751 1 9 . 1 1 103 103 LYS C C 103 178.500 178.500 178.709 -0.209 25443 5752 1 9 . 1 1 103 103 LYS CA C 103 59.652 59.652 60.160 -0.508 25443 5753 1 9 . 1 1 103 103 LYS CB C 103 32.040 32.040 32.468 -0.428 25443 5754 1 9 . 1 1 103 103 LYS H H 103 8.201 8.201 8.203 -0.002 25443 5755 1 9 . 1 1 104 104 GLU N N 104 116.335 116.335 117.106 -0.771 25443 5756 1 9 . 1 1 104 104 GLU HA H 104 3.928 3.928 4.058 -0.130 25443 5757 1 9 . 1 1 104 104 GLU C C 104 178.645 178.645 178.744 -0.099 25443 5758 1 9 . 1 1 104 104 GLU CA C 104 59.110 59.110 59.335 -0.225 25443 5759 1 9 . 1 1 104 104 GLU CB C 104 29.607 29.607 28.966 0.641 25443 5760 1 9 . 1 1 104 104 GLU H H 104 7.909 7.909 8.588 -0.679 25443 5761 1 9 . 1 1 105 105 GLU N N 105 119.210 119.210 120.788 -1.578 25443 5762 1 9 . 1 1 105 105 GLU HA H 105 3.844 3.844 4.146 -0.302 25443 5763 1 9 . 1 1 105 105 GLU C C 105 178.613 178.613 178.682 -0.069 25443 5764 1 9 . 1 1 105 105 GLU CA C 105 58.162 58.162 58.795 -0.633 25443 5765 1 9 . 1 1 105 105 GLU CB C 105 29.754 29.754 28.990 0.764 25443 5766 1 9 . 1 1 105 105 GLU H H 105 7.257 7.257 7.355 -0.098 25443 5767 1 9 . 1 1 106 106 LEU N N 106 117.408 117.408 120.085 -2.677 25443 5768 1 9 . 1 1 106 106 LEU HA H 106 3.976 3.976 3.973 0.003 25443 5769 1 9 . 1 1 106 106 LEU C C 106 178.646 178.646 178.970 -0.324 25443 5770 1 9 . 1 1 106 106 LEU CA C 106 56.699 56.699 58.414 -1.715 25443 5771 1 9 . 1 1 106 106 LEU CB C 106 40.455 40.455 41.705 -1.250 25443 5772 1 9 . 1 1 106 106 LEU H H 106 8.169 8.169 8.260 -0.091 25443 5773 1 9 . 1 1 107 107 ASP N N 107 119.073 119.073 119.237 -0.164 25443 5774 1 9 . 1 1 107 107 ASP HA H 107 4.521 4.521 4.283 0.238 25443 5775 1 9 . 1 1 107 107 ASP C C 107 177.069 177.069 178.611 -1.542 25443 5776 1 9 . 1 1 107 107 ASP CA C 107 55.099 55.099 57.665 -2.566 25443 5777 1 9 . 1 1 107 107 ASP CB C 107 40.670 40.670 40.976 -0.306 25443 5778 1 9 . 1 1 107 107 ASP H H 107 8.003 8.003 8.285 -0.282 25443 5779 1 9 . 1 1 108 108 ARG N N 108 120.705 120.705 118.775 1.930 25443 5780 1 9 . 1 1 108 108 ARG HA H 108 4.067 4.067 3.981 0.086 25443 5781 1 9 . 1 1 108 108 ARG C C 108 176.990 176.990 178.813 -1.823 25443 5782 1 9 . 1 1 108 108 ARG CA C 108 57.517 57.517 59.505 -1.988 25443 5783 1 9 . 1 1 108 108 ARG CB C 108 30.407 30.407 30.211 0.196 25443 5784 1 9 . 1 1 108 108 ARG H H 108 7.603 7.603 8.023 -0.420 25443 5785 1 9 . 1 1 109 109 ASP N N 109 120.246 120.246 118.516 1.730 25443 5786 1 9 . 1 1 109 109 ASP HA H 109 4.521 4.521 4.428 0.093 25443 5787 1 9 . 1 1 109 109 ASP C C 109 176.630 176.630 177.692 -1.062 25443 5788 1 9 . 1 1 109 109 ASP CA C 109 55.028 55.028 57.339 -2.311 25443 5789 1 9 . 1 1 109 109 ASP CB C 109 40.936 40.936 40.843 0.093 25443 5790 1 9 . 1 1 109 109 ASP H H 109 8.226 8.226 8.068 0.158 25443 5791 1 9 . 1 1 110 110 ILE N N 110 120.386 120.386 118.934 1.452 25443 5792 1 9 . 1 1 110 110 ILE HA H 110 3.987 3.987 3.931 0.056 25443 5793 1 9 . 1 1 110 110 ILE C C 110 176.996 176.996 178.538 -1.542 25443 5794 1 9 . 1 1 110 110 ILE CA C 110 62.241 62.241 63.427 -1.186 25443 5795 1 9 . 1 1 110 110 ILE CB C 110 38.359 38.359 37.472 0.887 25443 5796 1 9 . 1 1 110 110 ILE H H 110 7.863 7.863 7.424 0.439 25443 5797 1 9 . 1 1 111 111 VAL N N 111 122.548 122.548 121.757 0.791 25443 5798 1 9 . 1 1 111 111 VAL HA H 111 3.946 3.946 3.752 0.194 25443 5799 1 9 . 1 1 111 111 VAL C C 111 176.938 176.938 177.941 -1.003 25443 5800 1 9 . 1 1 111 111 VAL CA C 111 63.499 63.499 65.939 -2.441 25443 5801 1 9 . 1 1 111 111 VAL CB C 111 32.223 32.223 30.789 1.434 25443 5802 1 9 . 1 1 111 111 VAL H H 111 8.016 8.016 8.652 -0.636 25443 5803 1 9 . 1 1 112 112 SER N N 112 117.984 117.984 113.427 4.557 25443 5804 1 9 . 1 1 112 112 SER HA H 112 4.317 4.317 4.295 0.022 25443 5805 1 9 . 1 1 112 112 SER C C 112 175.154 175.154 174.888 0.266 25443 5806 1 9 . 1 1 112 112 SER CA C 112 59.025 59.025 60.237 -1.212 25443 5807 1 9 . 1 1 112 112 SER CB C 112 63.419 63.419 62.845 0.574 25443 5808 1 9 . 1 1 112 112 SER H H 112 8.187 8.187 8.289 -0.102 25443 5809 1 9 . 1 1 113 113 LYS N N 113 122.727 122.727 123.692 -0.965 25443 5810 1 9 . 1 1 113 113 LYS HA H 113 4.209 4.209 4.370 -0.161 25443 5811 1 9 . 1 1 113 113 LYS C C 113 176.713 176.713 176.059 0.654 25443 5812 1 9 . 1 1 113 113 LYS CA C 113 56.844 56.844 56.268 0.576 25443 5813 1 9 . 1 1 113 113 LYS CB C 113 32.794 32.794 31.406 1.388 25443 5814 1 9 . 1 1 113 113 LYS H H 113 8.152 8.152 7.417 0.735 25443 5815 1 9 . 1 1 114 114 ASN N N 114 118.886 118.886 121.537 -2.651 25443 5816 1 9 . 1 1 114 114 ASN C C 114 175.227 175.227 174.917 0.310 25443 5817 1 9 . 1 1 114 114 ASN CA C 114 53.549 53.549 54.553 -1.004 25443 5818 1 9 . 1 1 114 114 ASN H H 114 8.261 8.261 8.938 -0.677 25443 5819 1 9 . 1 1 115 115 ASN N N 115 119.345 119.345 113.357 5.988 25443 5820 1 9 . 1 1 115 115 ASN C C 115 174.896 174.896 173.987 0.909 25443 5821 1 9 . 1 1 115 115 ASN CA C 115 53.476 53.476 54.194 -0.718 25443 5822 1 9 . 1 1 115 115 ASN H H 115 8.257 8.257 8.403 -0.146 25443 5823 1 9 . 1 1 116 116 ALA N N 116 123.669 123.669 120.812 2.857 25443 5824 1 9 . 1 1 116 116 ALA HA H 116 4.254 4.254 4.690 -0.436 25443 5825 1 9 . 1 1 116 116 ALA C C 116 177.567 177.567 175.186 2.381 25443 5826 1 9 . 1 1 116 116 ALA CA C 116 52.678 52.678 51.668 1.010 25443 5827 1 9 . 1 1 116 116 ALA CB C 116 19.243 19.243 21.170 -1.927 25443 5828 1 9 . 1 1 116 116 ALA H H 116 8.094 8.094 7.636 0.458 25443 5829 1 9 . 1 1 117 117 GLU N N 117 120.083 120.083 118.811 1.272 25443 5830 1 9 . 1 1 117 117 GLU C C 117 175.564 175.564 176.247 -0.683 25443 5831 1 9 . 1 1 117 117 GLU CA C 117 56.602 56.602 55.213 1.389 25443 5832 1 9 . 1 1 117 117 GLU H H 117 8.221 8.221 8.306 -0.085 25443 5833 1 10 . 1 1 2 2 ALA HA H 2 4.286 4.286 4.644 -0.358 25443 5834 1 10 . 1 1 2 2 ALA C C 2 177.853 177.853 176.361 1.492 25443 5835 1 10 . 1 1 2 2 ALA CA C 2 52.661 52.661 52.271 0.390 25443 5836 1 10 . 1 1 2 2 ALA CB C 2 19.308 19.308 19.377 -0.069 25443 5837 1 10 . 1 1 3 3 MET N N 3 119.404 119.404 124.445 -5.041 25443 5838 1 10 . 1 1 3 3 MET HA H 3 4.435 4.435 4.717 -0.282 25443 5839 1 10 . 1 1 3 3 MET C C 3 176.731 176.731 176.760 -0.029 25443 5840 1 10 . 1 1 3 3 MET CA C 3 55.503 55.503 55.487 0.016 25443 5841 1 10 . 1 1 3 3 MET CB C 3 32.795 32.795 33.751 -0.956 25443 5842 1 10 . 1 1 3 3 MET H H 3 8.530 8.530 8.498 0.032 25443 5843 1 10 . 1 1 4 4 GLY N N 4 109.968 109.968 108.499 1.469 25443 5844 1 10 . 1 1 4 4 GLY C C 4 174.057 174.057 173.958 0.099 25443 5845 1 10 . 1 1 4 4 GLY CA C 4 45.363 45.363 45.704 -0.341 25443 5846 1 10 . 1 1 4 4 GLY H H 4 8.414 8.414 8.480 -0.066 25443 5847 1 10 . 1 1 5 5 ASN N N 5 118.659 118.659 115.316 3.343 25443 5848 1 10 . 1 1 5 5 ASN HA H 5 4.606 4.606 4.279 0.327 25443 5849 1 10 . 1 1 5 5 ASN C C 5 175.443 175.443 175.996 -0.553 25443 5850 1 10 . 1 1 5 5 ASN CA C 5 53.530 53.530 54.707 -1.177 25443 5851 1 10 . 1 1 5 5 ASN CB C 5 38.876 38.876 37.966 0.910 25443 5852 1 10 . 1 1 5 5 ASN H H 5 8.326 8.326 8.191 0.135 25443 5853 1 10 . 1 1 6 6 GLU N N 6 120.909 120.909 117.317 3.592 25443 5854 1 10 . 1 1 6 6 GLU HA H 6 4.097 4.097 4.369 -0.272 25443 5855 1 10 . 1 1 6 6 GLU C C 6 176.261 176.261 175.107 1.154 25443 5856 1 10 . 1 1 6 6 GLU CA C 6 57.171 57.171 55.291 1.880 25443 5857 1 10 . 1 1 6 6 GLU CB C 6 29.715 29.715 30.695 -0.980 25443 5858 1 10 . 1 1 6 6 GLU H H 6 8.633 8.633 7.292 1.341 25443 5859 1 10 . 1 1 7 7 TYR N N 7 120.283 120.283 113.522 6.761 25443 5860 1 10 . 1 1 7 7 TYR HA H 7 4.440 4.440 4.157 0.283 25443 5861 1 10 . 1 1 7 7 TYR C C 7 175.789 175.789 176.812 -1.023 25443 5862 1 10 . 1 1 7 7 TYR CA C 7 58.061 58.061 58.953 -0.891 25443 5863 1 10 . 1 1 7 7 TYR CB C 7 38.193 38.193 35.308 2.885 25443 5864 1 10 . 1 1 7 7 TYR H H 7 8.069 8.069 7.196 0.873 25443 5865 1 10 . 1 1 8 8 LYS N N 8 121.780 121.780 118.656 3.124 25443 5866 1 10 . 1 1 8 8 LYS HA H 8 4.107 4.107 4.146 -0.039 25443 5867 1 10 . 1 1 8 8 LYS C C 8 175.970 175.970 176.840 -0.870 25443 5868 1 10 . 1 1 8 8 LYS CA C 8 56.550 56.550 57.820 -1.270 25443 5869 1 10 . 1 1 8 8 LYS CB C 8 33.141 33.141 31.861 1.280 25443 5870 1 10 . 1 1 8 8 LYS H H 8 7.868 7.868 7.583 0.285 25443 5871 1 10 . 1 1 9 9 ASP N N 9 119.825 119.825 114.281 5.544 25443 5872 1 10 . 1 1 9 9 ASP HA H 9 4.577 4.577 4.655 -0.078 25443 5873 1 10 . 1 1 9 9 ASP C C 9 175.979 175.979 175.600 0.379 25443 5874 1 10 . 1 1 9 9 ASP CA C 9 54.608 54.608 53.934 0.674 25443 5875 1 10 . 1 1 9 9 ASP CB C 9 41.455 41.455 40.856 0.599 25443 5876 1 10 . 1 1 9 9 ASP H H 9 8.164 8.164 7.921 0.243 25443 5877 1 10 . 1 1 10 10 ASN N N 10 119.410 119.410 117.552 1.858 25443 5878 1 10 . 1 1 10 10 ASN HA H 10 4.935 4.935 4.971 -0.036 25443 5879 1 10 . 1 1 10 10 ASN C C 10 174.654 174.654 174.875 -0.221 25443 5880 1 10 . 1 1 10 10 ASN CA C 10 52.792 52.792 53.224 -0.432 25443 5881 1 10 . 1 1 10 10 ASN CB C 10 38.554 38.554 40.869 -2.315 25443 5882 1 10 . 1 1 10 10 ASN H H 10 8.284 8.284 7.762 0.522 25443 5883 1 10 . 1 1 11 11 ALA N N 11 122.716 122.716 124.224 -1.508 25443 5884 1 10 . 1 1 11 11 ALA HA H 11 4.521 4.521 4.271 0.250 25443 5885 1 10 . 1 1 11 11 ALA CA C 11 53.148 53.148 52.254 0.894 25443 5886 1 10 . 1 1 11 11 ALA CB C 11 19.223 19.223 17.989 1.234 25443 5887 1 10 . 1 1 11 11 ALA H H 11 8.260 8.260 7.501 0.759 25443 5888 1 10 . 1 1 12 12 TYR HA H 12 4.943 4.943 5.116 -0.173 25443 5889 1 10 . 1 1 12 12 TYR C C 12 177.075 177.075 174.610 2.465 25443 5890 1 10 . 1 1 12 12 TYR CA C 12 57.314 57.314 56.671 0.643 25443 5891 1 10 . 1 1 12 12 TYR CB C 12 42.614 42.614 42.781 -0.167 25443 5892 1 10 . 1 1 13 13 ILE N N 13 114.211 114.211 118.323 -4.112 25443 5893 1 10 . 1 1 13 13 ILE HA H 13 4.981 4.981 5.149 -0.168 25443 5894 1 10 . 1 1 13 13 ILE C C 13 174.500 174.500 174.262 0.238 25443 5895 1 10 . 1 1 13 13 ILE CA C 13 60.380 60.380 59.244 1.136 25443 5896 1 10 . 1 1 13 13 ILE CB C 13 39.792 39.792 40.875 -1.083 25443 5897 1 10 . 1 1 13 13 ILE H H 13 9.358 9.358 8.957 0.401 25443 5898 1 10 . 1 1 14 14 TYR N N 14 124.891 124.891 128.259 -3.368 25443 5899 1 10 . 1 1 14 14 TYR HA H 14 4.579 4.579 4.872 -0.293 25443 5900 1 10 . 1 1 14 14 TYR C C 14 173.192 173.192 174.153 -0.961 25443 5901 1 10 . 1 1 14 14 TYR CA C 14 56.202 56.202 57.271 -1.069 25443 5902 1 10 . 1 1 14 14 TYR CB C 14 40.163 40.163 39.914 0.249 25443 5903 1 10 . 1 1 14 14 TYR H H 14 9.163 9.163 9.112 0.051 25443 5904 1 10 . 1 1 15 15 ILE N N 15 127.801 127.801 127.279 0.522 25443 5905 1 10 . 1 1 15 15 ILE HA H 15 4.210 4.210 5.022 -0.812 25443 5906 1 10 . 1 1 15 15 ILE C C 15 173.823 173.823 175.827 -2.004 25443 5907 1 10 . 1 1 15 15 ILE CA C 15 59.616 59.616 59.264 0.352 25443 5908 1 10 . 1 1 15 15 ILE CB C 15 39.735 39.735 40.676 -0.941 25443 5909 1 10 . 1 1 15 15 ILE H H 15 8.569 8.569 8.365 0.204 25443 5910 1 10 . 1 1 16 16 GLY N N 16 112.441 112.441 111.567 0.874 25443 5911 1 10 . 1 1 16 16 GLY C C 16 173.159 173.159 173.474 -0.315 25443 5912 1 10 . 1 1 16 16 GLY CA C 16 43.244 43.244 43.173 0.070 25443 5913 1 10 . 1 1 16 16 GLY H H 16 9.354 9.354 7.926 1.428 25443 5914 1 10 . 1 1 17 17 ASN N N 17 114.797 114.797 117.347 -2.550 25443 5915 1 10 . 1 1 17 17 ASN HA H 17 4.347 4.347 4.476 -0.129 25443 5916 1 10 . 1 1 17 17 ASN C C 17 174.834 174.834 174.796 0.038 25443 5917 1 10 . 1 1 17 17 ASN CA C 17 53.214 53.214 53.694 -0.480 25443 5918 1 10 . 1 1 17 17 ASN CB C 17 37.826 37.826 38.504 -0.678 25443 5919 1 10 . 1 1 17 17 ASN H H 17 8.552 8.552 8.514 0.038 25443 5920 1 10 . 1 1 18 18 LEU N N 18 114.526 114.526 122.360 -7.834 25443 5921 1 10 . 1 1 18 18 LEU HA H 18 3.994 3.994 4.620 -0.626 25443 5922 1 10 . 1 1 18 18 LEU C C 18 177.948 177.948 176.591 1.357 25443 5923 1 10 . 1 1 18 18 LEU CA C 18 53.772 53.772 53.126 0.646 25443 5924 1 10 . 1 1 18 18 LEU CB C 18 42.385 42.385 45.103 -2.719 25443 5925 1 10 . 1 1 18 18 LEU H H 18 7.743 7.743 8.258 -0.515 25443 5926 1 10 . 1 1 19 19 ASN N N 19 122.718 122.718 119.359 3.359 25443 5927 1 10 . 1 1 19 19 ASN HA H 19 4.302 4.302 4.647 -0.345 25443 5928 1 10 . 1 1 19 19 ASN C C 19 178.040 178.040 176.594 1.446 25443 5929 1 10 . 1 1 19 19 ASN CA C 19 54.421 54.421 53.774 0.647 25443 5930 1 10 . 1 1 19 19 ASN CB C 19 38.580 38.580 39.092 -0.512 25443 5931 1 10 . 1 1 19 19 ASN H H 19 8.758 8.758 8.683 0.075 25443 5932 1 10 . 1 1 20 20 ARG N N 20 128.821 128.821 121.942 6.879 25443 5933 1 10 . 1 1 20 20 ARG HA H 20 3.790 3.790 4.105 -0.315 25443 5934 1 10 . 1 1 20 20 ARG C C 20 175.566 175.566 176.845 -1.279 25443 5935 1 10 . 1 1 20 20 ARG CA C 20 58.775 58.775 58.072 0.703 25443 5936 1 10 . 1 1 20 20 ARG CB C 20 29.642 29.642 30.136 -0.494 25443 5937 1 10 . 1 1 20 20 ARG H H 20 8.997 8.997 8.844 0.153 25443 5938 1 10 . 1 1 21 21 GLU N N 21 117.438 117.438 116.792 0.646 25443 5939 1 10 . 1 1 21 21 GLU HA H 21 4.214 4.214 4.227 -0.013 25443 5940 1 10 . 1 1 21 21 GLU C C 21 177.076 177.076 176.289 0.787 25443 5941 1 10 . 1 1 21 21 GLU CA C 21 56.677 56.677 56.639 0.038 25443 5942 1 10 . 1 1 21 21 GLU CB C 21 30.451 30.451 29.469 0.982 25443 5943 1 10 . 1 1 21 21 GLU H H 21 9.043 9.043 8.196 0.847 25443 5944 1 10 . 1 1 22 22 LEU N N 22 116.311 116.311 121.474 -5.163 25443 5945 1 10 . 1 1 22 22 LEU HA H 22 4.491 4.491 4.296 0.195 25443 5946 1 10 . 1 1 22 22 LEU C C 22 178.389 178.389 176.113 2.276 25443 5947 1 10 . 1 1 22 22 LEU CA C 22 55.496 55.496 54.721 0.775 25443 5948 1 10 . 1 1 22 22 LEU CB C 22 42.148 42.148 43.196 -1.048 25443 5949 1 10 . 1 1 22 22 LEU H H 22 7.183 7.183 7.409 -0.226 25443 5950 1 10 . 1 1 23 23 THR N N 23 113.850 113.850 116.251 -2.401 25443 5951 1 10 . 1 1 23 23 THR HA H 23 4.289 4.289 4.693 -0.404 25443 5952 1 10 . 1 1 23 23 THR C C 23 175.229 175.229 175.512 -0.283 25443 5953 1 10 . 1 1 23 23 THR CA C 23 59.895 59.895 59.470 0.425 25443 5954 1 10 . 1 1 23 23 THR CB C 23 71.989 71.989 71.604 0.385 25443 5955 1 10 . 1 1 23 23 THR H H 23 8.743 8.743 9.158 -0.415 25443 5956 1 10 . 1 1 24 24 GLU N N 24 119.724 119.724 120.632 -0.908 25443 5957 1 10 . 1 1 24 24 GLU HA H 24 3.591 3.591 4.173 -0.582 25443 5958 1 10 . 1 1 24 24 GLU C C 24 178.597 178.597 178.109 0.488 25443 5959 1 10 . 1 1 24 24 GLU CA C 24 63.490 63.490 58.780 4.710 25443 5960 1 10 . 1 1 24 24 GLU CB C 24 27.433 27.433 28.607 -1.173 25443 5961 1 10 . 1 1 24 24 GLU H H 24 9.641 9.641 8.970 0.671 25443 5962 1 10 . 1 1 25 25 GLY N N 25 104.430 104.430 108.757 -4.327 25443 5963 1 10 . 1 1 25 25 GLY C C 25 175.425 175.425 175.554 -0.129 25443 5964 1 10 . 1 1 25 25 GLY CA C 25 47.334 47.334 46.864 0.470 25443 5965 1 10 . 1 1 25 25 GLY H H 25 8.423 8.423 7.850 0.573 25443 5966 1 10 . 1 1 26 26 ASP N N 26 123.128 123.128 122.942 0.186 25443 5967 1 10 . 1 1 26 26 ASP HA H 26 4.530 4.530 4.500 0.031 25443 5968 1 10 . 1 1 26 26 ASP C C 26 177.878 177.878 178.662 -0.784 25443 5969 1 10 . 1 1 26 26 ASP CA C 26 57.429 57.429 57.310 0.119 25443 5970 1 10 . 1 1 26 26 ASP CB C 26 41.612 41.612 40.846 0.766 25443 5971 1 10 . 1 1 26 26 ASP H H 26 7.859 7.859 7.527 0.332 25443 5972 1 10 . 1 1 27 27 ILE N N 27 118.864 118.864 120.502 -1.638 25443 5973 1 10 . 1 1 27 27 ILE HA H 27 3.534 3.534 3.873 -0.339 25443 5974 1 10 . 1 1 27 27 ILE C C 27 178.225 178.225 178.143 0.082 25443 5975 1 10 . 1 1 27 27 ILE CA C 27 65.627 65.627 64.924 0.703 25443 5976 1 10 . 1 1 27 27 ILE CB C 27 37.614 37.614 37.971 -0.357 25443 5977 1 10 . 1 1 27 27 ILE H H 27 8.055 8.055 7.593 0.462 25443 5978 1 10 . 1 1 28 28 LEU N N 28 119.416 119.416 121.131 -1.715 25443 5979 1 10 . 1 1 28 28 LEU HA H 28 3.861 3.861 4.117 -0.256 25443 5980 1 10 . 1 1 28 28 LEU C C 28 179.884 179.884 178.527 1.357 25443 5981 1 10 . 1 1 28 28 LEU CA C 28 58.758 58.758 58.213 0.545 25443 5982 1 10 . 1 1 28 28 LEU CB C 28 41.137 41.137 41.476 -0.339 25443 5983 1 10 . 1 1 28 28 LEU H H 28 8.423 8.423 8.390 0.033 25443 5984 1 10 . 1 1 29 29 THR N N 29 119.586 119.586 115.329 4.257 25443 5985 1 10 . 1 1 29 29 THR HA H 29 3.790 3.790 3.971 -0.181 25443 5986 1 10 . 1 1 29 29 THR C C 29 176.530 176.530 176.411 0.119 25443 5987 1 10 . 1 1 29 29 THR CA C 29 67.322 67.322 67.067 0.255 25443 5988 1 10 . 1 1 29 29 THR CB C 29 68.372 68.372 68.603 -0.231 25443 5989 1 10 . 1 1 29 29 THR H H 29 8.552 8.552 7.898 0.654 25443 5990 1 10 . 1 1 30 30 VAL N N 30 119.948 119.948 120.327 -0.379 25443 5991 1 10 . 1 1 30 30 VAL HA H 30 3.601 3.601 3.701 -0.100 25443 5992 1 10 . 1 1 30 30 VAL C C 30 178.670 178.670 177.790 0.880 25443 5993 1 10 . 1 1 30 30 VAL CA C 30 66.081 66.081 66.259 -0.178 25443 5994 1 10 . 1 1 30 30 VAL CB C 30 32.993 32.993 31.680 1.313 25443 5995 1 10 . 1 1 30 30 VAL H H 30 7.959 7.959 7.777 0.182 25443 5996 1 10 . 1 1 31 31 PHE N N 31 113.636 113.636 118.356 -4.720 25443 5997 1 10 . 1 1 31 31 PHE HA H 31 4.006 4.006 4.551 -0.545 25443 5998 1 10 . 1 1 31 31 PHE C C 31 180.133 180.133 178.162 1.971 25443 5999 1 10 . 1 1 31 31 PHE CA C 31 62.266 62.266 60.848 1.418 25443 6000 1 10 . 1 1 31 31 PHE CB C 31 37.711 37.711 38.173 -0.462 25443 6001 1 10 . 1 1 31 31 PHE H H 31 8.726 8.726 8.923 -0.197 25443 6002 1 10 . 1 1 32 32 SER N N 32 119.746 119.746 116.177 3.569 25443 6003 1 10 . 1 1 32 32 SER HA H 32 5.107 5.107 4.268 0.839 25443 6004 1 10 . 1 1 32 32 SER C C 32 173.450 173.450 176.787 -3.337 25443 6005 1 10 . 1 1 32 32 SER CA C 32 61.440 61.440 61.078 0.362 25443 6006 1 10 . 1 1 32 32 SER CB C 32 62.690 62.690 62.466 0.224 25443 6007 1 10 . 1 1 32 32 SER H H 32 8.564 8.564 8.216 0.348 25443 6008 1 10 . 1 1 33 33 GLU N N 33 118.689 118.689 122.011 -3.322 25443 6009 1 10 . 1 1 33 33 GLU HA H 33 3.854 3.854 4.089 -0.235 25443 6010 1 10 . 1 1 33 33 GLU C C 33 176.471 176.471 177.756 -1.285 25443 6011 1 10 . 1 1 33 33 GLU CA C 33 57.997 57.997 58.234 -0.237 25443 6012 1 10 . 1 1 33 33 GLU CB C 33 29.503 29.503 29.418 0.085 25443 6013 1 10 . 1 1 33 33 GLU H H 33 6.733 6.733 7.793 -1.060 25443 6014 1 10 . 1 1 34 34 TYR N N 34 111.313 111.313 117.335 -6.022 25443 6015 1 10 . 1 1 34 34 TYR HA H 34 4.469 4.469 4.439 0.030 25443 6016 1 10 . 1 1 34 34 TYR C C 34 174.351 174.351 176.293 -1.942 25443 6017 1 10 . 1 1 34 34 TYR CA C 34 57.940 57.940 58.823 -0.883 25443 6018 1 10 . 1 1 34 34 TYR CB C 34 39.557 39.557 38.824 0.733 25443 6019 1 10 . 1 1 34 34 TYR H H 34 6.662 6.662 7.903 -1.241 25443 6020 1 10 . 1 1 35 35 GLY N N 35 106.055 106.055 106.889 -0.834 25443 6021 1 10 . 1 1 35 35 GLY C C 35 170.709 170.709 173.907 -3.198 25443 6022 1 10 . 1 1 35 35 GLY CA C 35 45.230 45.230 45.468 -0.238 25443 6023 1 10 . 1 1 35 35 GLY H H 35 7.302 7.302 7.756 -0.454 25443 6024 1 10 . 1 1 36 36 VAL N N 36 121.596 121.596 120.420 1.176 25443 6025 1 10 . 1 1 36 36 VAL HA H 36 4.492 4.492 4.525 -0.033 25443 6026 1 10 . 1 1 36 36 VAL CA C 36 59.912 59.912 59.250 0.662 25443 6027 1 10 . 1 1 36 36 VAL CB C 36 33.632 33.632 34.736 -1.104 25443 6028 1 10 . 1 1 36 36 VAL H H 36 8.595 8.595 7.743 0.852 25443 6029 1 10 . 1 1 37 37 PRO HA H 37 4.499 4.499 4.781 -0.282 25443 6030 1 10 . 1 1 37 37 PRO C C 37 176.150 176.150 175.782 0.368 25443 6031 1 10 . 1 1 37 37 PRO CA C 37 62.320 62.320 62.602 -0.282 25443 6032 1 10 . 1 1 37 37 PRO CB C 37 31.945 31.945 31.834 0.111 25443 6033 1 10 . 1 1 38 38 VAL N N 38 114.135 114.135 121.826 -7.691 25443 6034 1 10 . 1 1 38 38 VAL HA H 38 4.436 4.436 4.508 -0.072 25443 6035 1 10 . 1 1 38 38 VAL C C 38 175.124 175.124 175.369 -0.245 25443 6036 1 10 . 1 1 38 38 VAL CA C 38 60.488 60.488 59.376 1.112 25443 6037 1 10 . 1 1 38 38 VAL CB C 38 32.560 32.560 33.797 -1.237 25443 6038 1 10 . 1 1 38 38 VAL H H 38 9.006 9.006 8.049 0.957 25443 6039 1 10 . 1 1 39 39 ASP N N 39 118.095 118.095 122.347 -4.252 25443 6040 1 10 . 1 1 39 39 ASP HA H 39 4.626 4.626 4.509 0.117 25443 6041 1 10 . 1 1 39 39 ASP C C 39 174.577 174.577 175.042 -0.465 25443 6042 1 10 . 1 1 39 39 ASP CA C 39 54.706 54.706 55.597 -0.891 25443 6043 1 10 . 1 1 39 39 ASP CB C 39 43.495 43.495 41.222 2.273 25443 6044 1 10 . 1 1 39 39 ASP H H 39 7.454 7.454 8.139 -0.685 25443 6045 1 10 . 1 1 40 40 VAL N N 40 121.566 121.566 123.660 -2.094 25443 6046 1 10 . 1 1 40 40 VAL HA H 40 4.897 4.897 4.255 0.642 25443 6047 1 10 . 1 1 40 40 VAL C C 40 170.928 170.928 174.153 -3.225 25443 6048 1 10 . 1 1 40 40 VAL CA C 40 60.729 60.729 61.112 -0.383 25443 6049 1 10 . 1 1 40 40 VAL CB C 40 34.373 34.373 33.054 1.319 25443 6050 1 10 . 1 1 40 40 VAL H H 40 7.576 7.576 8.170 -0.594 25443 6051 1 10 . 1 1 41 41 ILE N N 41 125.247 125.247 131.140 -5.893 25443 6052 1 10 . 1 1 41 41 ILE HA H 41 4.752 4.752 4.315 0.437 25443 6053 1 10 . 1 1 41 41 ILE C C 41 175.440 175.440 174.106 1.334 25443 6054 1 10 . 1 1 41 41 ILE CA C 41 61.609 61.609 59.673 1.936 25443 6055 1 10 . 1 1 41 41 ILE H H 41 8.929 8.929 9.081 -0.152 25443 6056 1 10 . 1 1 42 42 LEU N N 42 128.791 128.791 129.768 -0.977 25443 6057 1 10 . 1 1 42 42 LEU HA H 42 4.387 4.387 4.427 -0.040 25443 6058 1 10 . 1 1 42 42 LEU C C 42 174.979 174.979 175.755 -0.776 25443 6059 1 10 . 1 1 42 42 LEU CA C 42 53.345 53.345 54.393 -1.048 25443 6060 1 10 . 1 1 42 42 LEU CB C 42 43.298 43.298 43.262 0.036 25443 6061 1 10 . 1 1 42 42 LEU H H 42 8.309 8.309 8.671 -0.362 25443 6062 1 10 . 1 1 43 43 SER N N 43 122.753 122.753 124.381 -1.628 25443 6063 1 10 . 1 1 43 43 SER HA H 43 3.821 3.821 4.251 -0.430 25443 6064 1 10 . 1 1 43 43 SER C C 43 173.870 173.870 173.858 0.012 25443 6065 1 10 . 1 1 43 43 SER CA C 43 59.707 59.707 58.220 1.487 25443 6066 1 10 . 1 1 43 43 SER CB C 43 62.714 62.714 61.915 0.799 25443 6067 1 10 . 1 1 43 43 SER H H 43 8.317 8.317 8.125 0.192 25443 6068 1 10 . 1 1 44 44 ARG N N 44 128.068 128.068 125.115 2.953 25443 6069 1 10 . 1 1 44 44 ARG HA H 44 4.763 4.763 5.256 -0.493 25443 6070 1 10 . 1 1 44 44 ARG C C 44 175.094 175.094 175.881 -0.787 25443 6071 1 10 . 1 1 44 44 ARG CA C 44 54.100 54.100 54.385 -0.285 25443 6072 1 10 . 1 1 44 44 ARG CB C 44 34.218 34.218 33.288 0.930 25443 6073 1 10 . 1 1 44 44 ARG H H 44 8.152 8.152 7.653 0.499 25443 6074 1 10 . 1 1 45 45 ASP N N 45 123.595 123.595 119.861 3.734 25443 6075 1 10 . 1 1 45 45 ASP HA H 45 4.172 4.172 4.822 -0.650 25443 6076 1 10 . 1 1 45 45 ASP C C 45 177.467 177.467 176.208 1.259 25443 6077 1 10 . 1 1 45 45 ASP CA C 45 54.898 54.898 52.924 1.974 25443 6078 1 10 . 1 1 45 45 ASP CB C 45 43.568 43.568 43.697 -0.129 25443 6079 1 10 . 1 1 45 45 ASP H H 45 8.628 8.628 8.330 0.298 25443 6080 1 10 . 1 1 46 46 GLU N N 46 125.161 125.161 120.098 5.063 25443 6081 1 10 . 1 1 46 46 GLU HA H 46 3.843 3.843 4.196 -0.352 25443 6082 1 10 . 1 1 46 46 GLU C C 46 175.690 175.690 176.842 -1.152 25443 6083 1 10 . 1 1 46 46 GLU CA C 46 58.861 58.861 57.874 0.987 25443 6084 1 10 . 1 1 46 46 GLU CB C 46 29.636 29.636 29.119 0.517 25443 6085 1 10 . 1 1 46 46 GLU H H 46 9.013 9.013 8.848 0.165 25443 6086 1 10 . 1 1 47 47 ASN N N 47 115.135 115.135 118.260 -3.125 25443 6087 1 10 . 1 1 47 47 ASN HA H 47 4.842 4.842 4.647 0.195 25443 6088 1 10 . 1 1 47 47 ASN C C 47 176.655 176.655 176.958 -0.303 25443 6089 1 10 . 1 1 47 47 ASN CA C 47 54.897 54.897 55.170 -0.273 25443 6090 1 10 . 1 1 47 47 ASN CB C 47 40.141 40.141 39.058 1.083 25443 6091 1 10 . 1 1 47 47 ASN H H 47 8.926 8.926 8.150 0.776 25443 6092 1 10 . 1 1 48 48 THR N N 48 107.544 107.544 112.314 -4.770 25443 6093 1 10 . 1 1 48 48 THR HA H 48 4.400 4.400 4.504 -0.104 25443 6094 1 10 . 1 1 48 48 THR C C 48 176.484 176.484 175.170 1.314 25443 6095 1 10 . 1 1 48 48 THR CA C 48 61.513 61.513 62.768 -1.255 25443 6096 1 10 . 1 1 48 48 THR CB C 48 71.189 71.189 70.212 0.977 25443 6097 1 10 . 1 1 48 48 THR H H 48 8.455 8.455 8.854 -0.399 25443 6098 1 10 . 1 1 49 49 GLY N N 49 111.753 111.753 110.578 1.175 25443 6099 1 10 . 1 1 49 49 GLY C C 49 173.167 173.167 173.337 -0.170 25443 6100 1 10 . 1 1 49 49 GLY CA C 49 45.628 45.628 44.888 0.740 25443 6101 1 10 . 1 1 49 49 GLY H H 49 8.607 8.607 8.202 0.405 25443 6102 1 10 . 1 1 50 50 GLU N N 50 119.978 119.978 117.952 2.026 25443 6103 1 10 . 1 1 50 50 GLU HA H 50 4.071 4.071 4.688 -0.617 25443 6104 1 10 . 1 1 50 50 GLU C C 50 176.629 176.629 175.664 0.965 25443 6105 1 10 . 1 1 50 50 GLU CA C 50 56.500 56.500 53.569 2.931 25443 6106 1 10 . 1 1 50 50 GLU CB C 50 30.927 30.927 31.856 -0.929 25443 6107 1 10 . 1 1 50 50 GLU H H 50 7.796 7.796 8.492 -0.696 25443 6108 1 10 . 1 1 51 51 SER N N 51 115.672 115.672 114.991 0.681 25443 6109 1 10 . 1 1 51 51 SER HA H 51 4.205 4.205 4.300 -0.095 25443 6110 1 10 . 1 1 51 51 SER C C 51 176.532 176.532 175.179 1.353 25443 6111 1 10 . 1 1 51 51 SER CA C 51 58.320 58.320 58.350 -0.030 25443 6112 1 10 . 1 1 51 51 SER CB C 51 64.596 64.596 63.378 1.218 25443 6113 1 10 . 1 1 51 51 SER H H 51 8.889 8.889 8.733 0.156 25443 6114 1 10 . 1 1 52 52 GLN N N 52 123.139 123.139 126.363 -3.224 25443 6115 1 10 . 1 1 52 52 GLN HA H 52 4.421 4.421 4.229 0.192 25443 6116 1 10 . 1 1 52 52 GLN C C 52 177.396 177.396 176.413 0.983 25443 6117 1 10 . 1 1 52 52 GLN CA C 52 55.051 55.051 56.025 -0.974 25443 6118 1 10 . 1 1 52 52 GLN CB C 52 29.874 29.874 28.957 0.916 25443 6119 1 10 . 1 1 52 52 GLN H H 52 9.078 9.078 8.545 0.533 25443 6120 1 10 . 1 1 53 53 GLY N N 53 105.904 105.904 107.235 -1.331 25443 6121 1 10 . 1 1 53 53 GLY C C 53 172.046 172.046 173.194 -1.148 25443 6122 1 10 . 1 1 53 53 GLY CA C 53 46.550 46.550 45.147 1.403 25443 6123 1 10 . 1 1 53 53 GLY H H 53 8.851 8.851 7.684 1.167 25443 6124 1 10 . 1 1 54 54 PHE N N 54 111.888 111.888 112.899 -1.011 25443 6125 1 10 . 1 1 54 54 PHE HA H 54 5.253 5.253 5.070 0.183 25443 6126 1 10 . 1 1 54 54 PHE C C 54 171.570 171.570 172.408 -0.838 25443 6127 1 10 . 1 1 54 54 PHE CA C 54 55.592 55.592 55.593 -0.001 25443 6128 1 10 . 1 1 54 54 PHE CB C 54 40.806 40.806 40.017 0.789 25443 6129 1 10 . 1 1 54 54 PHE H H 54 6.827 6.827 6.992 -0.165 25443 6130 1 10 . 1 1 55 55 ALA N N 55 121.888 121.888 118.998 2.890 25443 6131 1 10 . 1 1 55 55 ALA HA H 55 5.032 5.032 4.609 0.423 25443 6132 1 10 . 1 1 55 55 ALA C C 55 172.957 172.957 174.118 -1.161 25443 6133 1 10 . 1 1 55 55 ALA CA C 55 49.477 49.477 51.135 -1.658 25443 6134 1 10 . 1 1 55 55 ALA H H 55 8.927 8.927 7.861 1.066 25443 6135 1 10 . 1 1 56 56 TYR N N 56 115.049 115.049 117.658 -2.609 25443 6136 1 10 . 1 1 56 56 TYR HA H 56 5.602 5.602 5.513 0.089 25443 6137 1 10 . 1 1 56 56 TYR C C 56 175.162 175.162 174.168 0.994 25443 6138 1 10 . 1 1 56 56 TYR CA C 56 55.444 55.444 56.436 -0.992 25443 6139 1 10 . 1 1 56 56 TYR CB C 56 42.189 42.189 42.128 0.061 25443 6140 1 10 . 1 1 56 56 TYR H H 56 9.020 9.020 8.911 0.109 25443 6141 1 10 . 1 1 57 57 LEU N N 57 122.745 122.745 123.497 -0.752 25443 6142 1 10 . 1 1 57 57 LEU HA H 57 4.713 4.713 5.135 -0.422 25443 6143 1 10 . 1 1 57 57 LEU C C 57 172.371 172.371 174.430 -2.059 25443 6144 1 10 . 1 1 57 57 LEU CA C 57 54.712 54.712 53.441 1.271 25443 6145 1 10 . 1 1 57 57 LEU CB C 57 46.754 46.754 45.736 1.018 25443 6146 1 10 . 1 1 57 57 LEU H H 57 8.706 8.706 8.702 0.004 25443 6147 1 10 . 1 1 58 58 LYS N N 58 125.469 125.469 126.319 -0.850 25443 6148 1 10 . 1 1 58 58 LYS HA H 58 4.467 4.467 4.524 -0.057 25443 6149 1 10 . 1 1 58 58 LYS C C 58 175.152 175.152 173.930 1.222 25443 6150 1 10 . 1 1 58 58 LYS CA C 58 54.494 54.494 53.994 0.500 25443 6151 1 10 . 1 1 58 58 LYS CB C 58 36.479 36.479 35.068 1.411 25443 6152 1 10 . 1 1 58 58 LYS H H 58 7.948 7.948 8.913 -0.965 25443 6153 1 10 . 1 1 59 59 TYR N N 59 126.261 126.261 122.567 3.694 25443 6154 1 10 . 1 1 59 59 TYR HA H 59 5.003 5.003 4.762 0.241 25443 6155 1 10 . 1 1 59 59 TYR C C 59 176.020 176.020 174.194 1.826 25443 6156 1 10 . 1 1 59 59 TYR CA C 59 57.992 57.992 55.344 2.648 25443 6157 1 10 . 1 1 59 59 TYR CB C 59 41.715 41.715 40.357 1.358 25443 6158 1 10 . 1 1 59 59 TYR H H 59 8.957 8.957 7.828 1.129 25443 6159 1 10 . 1 1 60 60 GLU N N 60 120.342 120.342 121.625 -1.283 25443 6160 1 10 . 1 1 60 60 GLU HA H 60 3.839 3.839 4.478 -0.639 25443 6161 1 10 . 1 1 60 60 GLU C C 60 175.346 175.346 175.527 -0.181 25443 6162 1 10 . 1 1 60 60 GLU CA C 60 59.057 59.057 56.030 3.027 25443 6163 1 10 . 1 1 60 60 GLU CB C 60 30.653 30.653 30.066 0.587 25443 6164 1 10 . 1 1 60 60 GLU H H 60 8.845 8.845 8.546 0.299 25443 6165 1 10 . 1 1 61 61 ASP N N 61 116.193 116.193 123.617 -7.424 25443 6166 1 10 . 1 1 61 61 ASP HA H 61 4.915 4.915 4.718 0.197 25443 6167 1 10 . 1 1 61 61 ASP C C 61 176.659 176.659 175.586 1.073 25443 6168 1 10 . 1 1 61 61 ASP CA C 61 51.856 51.856 54.496 -2.640 25443 6169 1 10 . 1 1 61 61 ASP CB C 61 43.726 43.726 42.761 0.965 25443 6170 1 10 . 1 1 61 61 ASP H H 61 7.922 7.922 8.233 -0.311 25443 6171 1 10 . 1 1 62 62 GLN N N 62 125.812 125.812 123.322 2.490 25443 6172 1 10 . 1 1 62 62 GLN HA H 62 4.221 4.221 4.156 0.065 25443 6173 1 10 . 1 1 62 62 GLN C C 62 178.430 178.430 177.586 0.844 25443 6174 1 10 . 1 1 62 62 GLN CA C 62 58.449 58.449 58.681 -0.232 25443 6175 1 10 . 1 1 62 62 GLN CB C 62 28.076 28.076 29.021 -0.945 25443 6176 1 10 . 1 1 62 62 GLN H H 62 8.964 8.964 8.747 0.217 25443 6177 1 10 . 1 1 63 63 ARG N N 63 120.943 120.943 120.159 0.784 25443 6178 1 10 . 1 1 63 63 ARG HA H 63 3.979 3.979 4.100 -0.121 25443 6179 1 10 . 1 1 63 63 ARG C C 63 179.350 179.350 178.745 0.605 25443 6180 1 10 . 1 1 63 63 ARG CA C 63 59.398 59.398 59.433 -0.035 25443 6181 1 10 . 1 1 63 63 ARG CB C 63 29.466 29.466 30.021 -0.555 25443 6182 1 10 . 1 1 63 63 ARG H H 63 8.965 8.965 7.940 1.025 25443 6183 1 10 . 1 1 64 64 SER N N 64 115.358 115.358 113.685 1.673 25443 6184 1 10 . 1 1 64 64 SER HA H 64 3.898 3.898 4.221 -0.323 25443 6185 1 10 . 1 1 64 64 SER C C 64 174.444 174.444 176.009 -1.565 25443 6186 1 10 . 1 1 64 64 SER CA C 64 62.459 62.459 61.786 0.673 25443 6187 1 10 . 1 1 64 64 SER CB C 64 62.040 62.040 62.700 -0.660 25443 6188 1 10 . 1 1 64 64 SER H H 64 8.065 8.065 9.383 -1.318 25443 6189 1 10 . 1 1 65 65 THR N N 65 113.614 113.614 115.939 -2.325 25443 6190 1 10 . 1 1 65 65 THR HA H 65 3.751 3.751 4.566 -0.815 25443 6191 1 10 . 1 1 65 65 THR C C 65 175.357 175.357 177.242 -1.885 25443 6192 1 10 . 1 1 65 65 THR CA C 65 66.292 66.292 65.413 0.879 25443 6193 1 10 . 1 1 65 65 THR CB C 65 68.457 68.457 68.616 -0.159 25443 6194 1 10 . 1 1 65 65 THR H H 65 7.484 7.484 7.744 -0.260 25443 6195 1 10 . 1 1 66 66 ILE N N 66 120.736 120.736 122.940 -2.204 25443 6196 1 10 . 1 1 66 66 ILE HA H 66 3.653 3.653 3.955 -0.302 25443 6197 1 10 . 1 1 66 66 ILE C C 66 177.518 177.518 177.310 0.208 25443 6198 1 10 . 1 1 66 66 ILE CA C 66 64.014 64.014 64.760 -0.746 25443 6199 1 10 . 1 1 66 66 ILE CB C 66 42.194 42.194 37.776 4.418 25443 6200 1 10 . 1 1 66 66 ILE H H 66 6.976 6.976 7.617 -0.641 25443 6201 1 10 . 1 1 67 67 LEU N N 67 117.584 117.584 122.088 -4.504 25443 6202 1 10 . 1 1 67 67 LEU HA H 67 3.921 3.921 4.005 -0.084 25443 6203 1 10 . 1 1 67 67 LEU C C 67 179.650 179.650 178.041 1.609 25443 6204 1 10 . 1 1 67 67 LEU CA C 67 57.452 57.452 58.156 -0.704 25443 6205 1 10 . 1 1 67 67 LEU CB C 67 42.172 42.172 41.715 0.457 25443 6206 1 10 . 1 1 67 67 LEU H H 67 7.006 7.006 8.029 -1.023 25443 6207 1 10 . 1 1 68 68 ALA N N 68 121.025 121.025 120.606 0.419 25443 6208 1 10 . 1 1 68 68 ALA HA H 68 3.285 3.285 4.366 -1.081 25443 6209 1 10 . 1 1 68 68 ALA C C 68 179.216 179.216 179.931 -0.715 25443 6210 1 10 . 1 1 68 68 ALA CA C 68 55.564 55.564 55.047 0.517 25443 6211 1 10 . 1 1 68 68 ALA CB C 68 18.852 18.852 18.376 0.476 25443 6212 1 10 . 1 1 68 68 ALA H H 68 8.121 8.121 8.446 -0.325 25443 6213 1 10 . 1 1 69 69 VAL N N 69 117.799 117.799 119.106 -1.307 25443 6214 1 10 . 1 1 69 69 VAL HA H 69 3.243 3.243 3.653 -0.410 25443 6215 1 10 . 1 1 69 69 VAL C C 69 178.541 178.541 177.888 0.653 25443 6216 1 10 . 1 1 69 69 VAL CA C 69 67.237 67.237 67.910 -0.673 25443 6217 1 10 . 1 1 69 69 VAL CB C 69 31.679 31.679 31.870 -0.191 25443 6218 1 10 . 1 1 69 69 VAL H H 69 8.012 8.012 7.706 0.306 25443 6219 1 10 . 1 1 70 70 ASP N N 70 117.013 117.013 118.293 -1.280 25443 6220 1 10 . 1 1 70 70 ASP HA H 70 4.339 4.339 4.393 -0.054 25443 6221 1 10 . 1 1 70 70 ASP C C 70 178.330 178.330 177.884 0.446 25443 6222 1 10 . 1 1 70 70 ASP CA C 70 57.131 57.131 56.928 0.203 25443 6223 1 10 . 1 1 70 70 ASP CB C 70 40.465 40.465 40.987 -0.522 25443 6224 1 10 . 1 1 70 70 ASP H H 70 8.216 8.216 8.089 0.127 25443 6225 1 10 . 1 1 71 71 ASN N N 71 112.777 112.777 117.036 -4.259 25443 6226 1 10 . 1 1 71 71 ASN HA H 71 4.587 4.587 4.594 -0.007 25443 6227 1 10 . 1 1 71 71 ASN C C 71 176.314 176.314 176.609 -0.295 25443 6228 1 10 . 1 1 71 71 ASN CA C 71 55.474 55.474 55.251 0.223 25443 6229 1 10 . 1 1 71 71 ASN CB C 71 40.592 40.592 39.508 1.084 25443 6230 1 10 . 1 1 71 71 ASN H H 71 7.582 7.582 7.962 -0.380 25443 6231 1 10 . 1 1 72 72 LEU N N 72 116.551 116.551 116.362 0.189 25443 6232 1 10 . 1 1 72 72 LEU HA H 72 4.494 4.494 4.336 0.158 25443 6233 1 10 . 1 1 72 72 LEU C C 72 177.500 177.500 177.271 0.229 25443 6234 1 10 . 1 1 72 72 LEU CA C 72 54.590 54.590 55.002 -0.412 25443 6235 1 10 . 1 1 72 72 LEU CB C 72 42.862 42.862 42.564 0.298 25443 6236 1 10 . 1 1 72 72 LEU H H 72 8.201 8.201 8.160 0.041 25443 6237 1 10 . 1 1 73 73 ASN N N 73 118.974 118.974 119.056 -0.082 25443 6238 1 10 . 1 1 73 73 ASN HA H 73 4.392 4.392 4.676 -0.284 25443 6239 1 10 . 1 1 73 73 ASN C C 73 177.151 177.151 176.742 0.409 25443 6240 1 10 . 1 1 73 73 ASN CA C 73 56.276 56.276 55.312 0.964 25443 6241 1 10 . 1 1 73 73 ASN CB C 73 38.853 38.853 38.247 0.606 25443 6242 1 10 . 1 1 73 73 ASN H H 73 7.406 7.406 8.160 -0.754 25443 6243 1 10 . 1 1 74 74 GLY N N 74 116.478 116.478 114.742 1.736 25443 6244 1 10 . 1 1 74 74 GLY C C 74 172.756 172.756 174.283 -1.527 25443 6245 1 10 . 1 1 74 74 GLY CA C 74 45.662 45.662 44.979 0.683 25443 6246 1 10 . 1 1 74 74 GLY H H 74 9.106 9.106 8.966 0.140 25443 6247 1 10 . 1 1 75 75 PHE N N 75 123.853 123.853 122.639 1.214 25443 6248 1 10 . 1 1 75 75 PHE HA H 75 4.328 4.328 4.503 -0.175 25443 6249 1 10 . 1 1 75 75 PHE C C 75 175.065 175.065 174.946 0.119 25443 6250 1 10 . 1 1 75 75 PHE CA C 75 58.371 58.371 58.207 0.164 25443 6251 1 10 . 1 1 75 75 PHE CB C 75 40.947 40.947 40.405 0.542 25443 6252 1 10 . 1 1 75 75 PHE H H 75 8.074 8.074 8.060 0.014 25443 6253 1 10 . 1 1 76 76 LYS N N 76 126.700 126.700 127.242 -0.542 25443 6254 1 10 . 1 1 76 76 LYS HA H 76 4.536 4.536 4.823 -0.287 25443 6255 1 10 . 1 1 76 76 LYS C C 76 175.395 175.395 175.716 -0.321 25443 6256 1 10 . 1 1 76 76 LYS CA C 76 56.227 56.227 55.337 0.890 25443 6257 1 10 . 1 1 76 76 LYS CB C 76 32.969 32.969 32.358 0.611 25443 6258 1 10 . 1 1 76 76 LYS H H 76 7.766 7.766 7.690 0.076 25443 6259 1 10 . 1 1 77 77 ILE N N 77 120.686 120.686 124.270 -3.584 25443 6260 1 10 . 1 1 77 77 ILE HA H 77 4.231 4.231 4.185 0.046 25443 6261 1 10 . 1 1 77 77 ILE C C 77 177.605 177.605 176.468 1.137 25443 6262 1 10 . 1 1 77 77 ILE CA C 77 59.981 59.981 61.016 -1.035 25443 6263 1 10 . 1 1 77 77 ILE CB C 77 40.409 40.409 39.874 0.535 25443 6264 1 10 . 1 1 77 77 ILE H H 77 8.005 8.005 8.999 -0.994 25443 6265 1 10 . 1 1 78 78 GLY N N 78 118.352 118.352 116.313 2.039 25443 6266 1 10 . 1 1 78 78 GLY C C 78 175.639 175.639 175.149 0.490 25443 6267 1 10 . 1 1 78 78 GLY CA C 78 47.227 47.227 45.388 1.839 25443 6268 1 10 . 1 1 78 78 GLY H H 78 9.800 9.800 9.054 0.746 25443 6269 1 10 . 1 1 79 79 GLY N N 79 104.167 104.167 104.655 -0.488 25443 6270 1 10 . 1 1 79 79 GLY C C 79 173.371 173.371 173.253 0.118 25443 6271 1 10 . 1 1 79 79 GLY CA C 79 45.037 45.037 44.653 0.384 25443 6272 1 10 . 1 1 79 79 GLY H H 79 8.795 8.795 8.320 0.475 25443 6273 1 10 . 1 1 80 80 ARG N N 80 119.090 119.090 120.348 -1.258 25443 6274 1 10 . 1 1 80 80 ARG HA H 80 4.590 4.590 4.715 -0.125 25443 6275 1 10 . 1 1 80 80 ARG C C 80 174.563 174.563 173.873 0.690 25443 6276 1 10 . 1 1 80 80 ARG CA C 80 54.615 54.615 54.658 -0.043 25443 6277 1 10 . 1 1 80 80 ARG CB C 80 33.487 33.487 33.403 0.084 25443 6278 1 10 . 1 1 80 80 ARG H H 80 7.281 7.281 7.532 -0.251 25443 6279 1 10 . 1 1 81 81 ALA N N 81 126.039 126.039 127.281 -1.242 25443 6280 1 10 . 1 1 81 81 ALA HA H 81 4.216 4.216 5.058 -0.842 25443 6281 1 10 . 1 1 81 81 ALA C C 81 177.149 177.149 176.999 0.150 25443 6282 1 10 . 1 1 81 81 ALA CA C 81 51.081 51.081 50.611 0.470 25443 6283 1 10 . 1 1 81 81 ALA CB C 81 19.226 19.226 20.024 -0.798 25443 6284 1 10 . 1 1 81 81 ALA H H 81 8.651 8.651 8.506 0.145 25443 6285 1 10 . 1 1 82 82 LEU N N 82 125.451 125.451 124.367 1.084 25443 6286 1 10 . 1 1 82 82 LEU HA H 82 4.390 4.390 4.411 -0.021 25443 6287 1 10 . 1 1 82 82 LEU C C 82 177.498 177.498 176.578 0.920 25443 6288 1 10 . 1 1 82 82 LEU CA C 82 56.065 56.065 54.415 1.650 25443 6289 1 10 . 1 1 82 82 LEU CB C 82 43.267 43.267 42.579 0.688 25443 6290 1 10 . 1 1 82 82 LEU H H 82 8.805 8.805 8.822 -0.017 25443 6291 1 10 . 1 1 83 83 LYS N N 83 123.253 123.253 126.895 -3.642 25443 6292 1 10 . 1 1 83 83 LYS C C 83 174.892 174.892 174.658 0.234 25443 6293 1 10 . 1 1 83 83 LYS CA C 83 54.892 54.892 55.830 -0.938 25443 6294 1 10 . 1 1 83 83 LYS H H 83 7.768 7.768 8.739 -0.971 25443 6295 1 10 . 1 1 84 84 ILE N N 84 125.577 125.577 127.786 -2.209 25443 6296 1 10 . 1 1 84 84 ILE HA H 84 5.581 5.581 5.289 0.292 25443 6297 1 10 . 1 1 84 84 ILE C C 84 174.901 174.901 175.301 -0.400 25443 6298 1 10 . 1 1 84 84 ILE CA C 84 58.803 58.803 58.648 0.155 25443 6299 1 10 . 1 1 84 84 ILE CB C 84 40.306 40.306 38.612 1.694 25443 6300 1 10 . 1 1 84 84 ILE H H 84 8.616 8.616 8.478 0.138 25443 6301 1 10 . 1 1 85 85 ASP N N 85 125.373 125.373 126.835 -1.462 25443 6302 1 10 . 1 1 85 85 ASP HA H 85 4.909 4.909 5.080 -0.171 25443 6303 1 10 . 1 1 85 85 ASP C C 85 174.826 174.826 175.022 -0.196 25443 6304 1 10 . 1 1 85 85 ASP CA C 85 52.372 52.372 52.637 -0.265 25443 6305 1 10 . 1 1 85 85 ASP CB C 85 45.290 45.290 45.309 -0.020 25443 6306 1 10 . 1 1 85 85 ASP H H 85 8.907 8.907 8.637 0.270 25443 6307 1 10 . 1 1 86 86 HIS N N 86 121.396 121.396 120.981 0.415 25443 6308 1 10 . 1 1 86 86 HIS CA C 86 57.540 57.540 56.946 0.594 25443 6309 1 10 . 1 1 86 86 HIS CB C 86 30.985 30.985 30.942 0.043 25443 6310 1 10 . 1 1 86 86 HIS H H 86 8.970 8.970 8.659 0.311 25443 6311 1 10 . 1 1 87 87 THR N N 87 116.761 116.761 118.697 -1.936 25443 6312 1 10 . 1 1 87 87 THR HA H 87 4.652 4.652 4.641 0.011 25443 6313 1 10 . 1 1 87 87 THR C C 87 171.272 171.272 172.792 -1.520 25443 6314 1 10 . 1 1 87 87 THR CA C 87 60.710 60.710 60.987 -0.277 25443 6315 1 10 . 1 1 87 87 THR CB C 87 69.764 69.764 70.644 -0.880 25443 6316 1 10 . 1 1 87 87 THR H H 87 8.557 8.557 8.681 -0.124 25443 6317 1 10 . 1 1 88 88 PHE N N 88 120.343 120.343 121.767 -1.424 25443 6318 1 10 . 1 1 88 88 PHE HA H 88 5.273 5.273 4.929 0.344 25443 6319 1 10 . 1 1 88 88 PHE C C 88 174.288 174.288 173.756 0.532 25443 6320 1 10 . 1 1 88 88 PHE CA C 88 55.959 55.959 56.533 -0.574 25443 6321 1 10 . 1 1 88 88 PHE CB C 88 41.079 41.079 40.152 0.927 25443 6322 1 10 . 1 1 88 88 PHE H H 88 8.114 8.114 8.473 -0.359 25443 6323 1 10 . 1 1 89 89 TYR N N 89 123.043 123.043 122.651 0.392 25443 6324 1 10 . 1 1 89 89 TYR HA H 89 4.026 4.026 4.056 -0.030 25443 6325 1 10 . 1 1 89 89 TYR C C 89 173.155 173.155 172.987 0.168 25443 6326 1 10 . 1 1 89 89 TYR CA C 89 57.493 57.493 57.129 0.364 25443 6327 1 10 . 1 1 89 89 TYR CB C 89 39.829 39.829 40.714 -0.885 25443 6328 1 10 . 1 1 89 89 TYR H H 89 8.176 8.176 8.079 0.097 25443 6329 1 10 . 1 1 90 90 ARG N N 90 129.004 129.004 127.954 1.050 25443 6330 1 10 . 1 1 90 90 ARG HA H 90 4.398 4.398 4.463 -0.065 25443 6331 1 10 . 1 1 90 90 ARG CA C 90 51.548 51.548 52.655 -1.107 25443 6332 1 10 . 1 1 90 90 ARG CB C 90 30.882 30.882 31.503 -0.621 25443 6333 1 10 . 1 1 90 90 ARG H H 90 7.078 7.078 8.137 -1.059 25443 6334 1 10 . 1 1 91 91 PRO HA H 91 4.155 4.155 4.078 0.077 25443 6335 1 10 . 1 1 91 91 PRO C C 91 176.340 176.340 176.221 0.119 25443 6336 1 10 . 1 1 91 91 PRO CA C 91 62.454 62.454 62.101 0.353 25443 6337 1 10 . 1 1 91 91 PRO CB C 91 33.072 33.072 32.237 0.835 25443 6338 1 10 . 1 1 92 92 LYS N N 92 119.682 119.682 120.981 -1.299 25443 6339 1 10 . 1 1 92 92 LYS CA C 92 54.711 54.711 55.014 -0.303 25443 6340 1 10 . 1 1 92 92 LYS H H 92 8.644 8.644 8.351 0.293 25443 6341 1 10 . 1 1 93 93 ARG C C 93 178.899 178.899 177.580 1.319 25443 6342 1 10 . 1 1 93 93 ARG CA C 93 59.125 59.125 58.410 0.715 25443 6343 1 10 . 1 1 94 94 SER N N 94 112.166 112.166 115.652 -3.486 25443 6344 1 10 . 1 1 94 94 SER HA H 94 4.176 4.176 4.332 -0.156 25443 6345 1 10 . 1 1 94 94 SER C C 94 175.776 175.776 175.069 0.707 25443 6346 1 10 . 1 1 94 94 SER CA C 94 60.031 60.031 61.004 -0.973 25443 6347 1 10 . 1 1 94 94 SER CB C 94 62.152 62.152 62.965 -0.813 25443 6348 1 10 . 1 1 94 94 SER H H 94 8.299 8.299 8.254 0.045 25443 6349 1 10 . 1 1 95 95 LEU N N 95 122.179 122.179 120.047 2.132 25443 6350 1 10 . 1 1 95 95 LEU HA H 95 4.651 4.651 4.809 -0.158 25443 6351 1 10 . 1 1 95 95 LEU C C 95 175.381 175.381 176.677 -1.296 25443 6352 1 10 . 1 1 95 95 LEU CA C 95 53.934 53.934 53.772 0.162 25443 6353 1 10 . 1 1 95 95 LEU CB C 95 41.861 41.861 41.855 0.006 25443 6354 1 10 . 1 1 95 95 LEU H H 95 7.159 7.159 7.668 -0.509 25443 6355 1 10 . 1 1 96 96 GLN N N 96 118.834 118.834 120.341 -1.507 25443 6356 1 10 . 1 1 96 96 GLN HA H 96 4.030 4.030 4.137 -0.107 25443 6357 1 10 . 1 1 96 96 GLN C C 96 177.751 177.751 177.367 0.384 25443 6358 1 10 . 1 1 96 96 GLN CA C 96 60.705 60.705 59.139 1.566 25443 6359 1 10 . 1 1 96 96 GLN CB C 96 28.822 28.822 28.600 0.222 25443 6360 1 10 . 1 1 96 96 GLN H H 96 7.329 7.329 7.583 -0.254 25443 6361 1 10 . 1 1 97 97 LYS N N 97 116.469 116.469 119.957 -3.488 25443 6362 1 10 . 1 1 97 97 LYS HA H 97 4.060 4.060 4.090 -0.030 25443 6363 1 10 . 1 1 97 97 LYS C C 97 179.164 179.164 178.826 0.338 25443 6364 1 10 . 1 1 97 97 LYS CA C 97 59.430 59.430 58.990 0.440 25443 6365 1 10 . 1 1 97 97 LYS CB C 97 31.511 31.511 31.870 -0.359 25443 6366 1 10 . 1 1 97 97 LYS H H 97 8.614 8.614 8.261 0.353 25443 6367 1 10 . 1 1 98 98 TYR N N 98 124.165 124.165 121.407 2.758 25443 6368 1 10 . 1 1 98 98 TYR HA H 98 4.079 4.079 4.145 -0.066 25443 6369 1 10 . 1 1 98 98 TYR C C 98 177.316 177.316 177.765 -0.449 25443 6370 1 10 . 1 1 98 98 TYR CA C 98 62.205 62.205 62.078 0.127 25443 6371 1 10 . 1 1 98 98 TYR CB C 98 37.162 37.162 38.720 -1.558 25443 6372 1 10 . 1 1 98 98 TYR H H 98 7.585 7.585 7.753 -0.168 25443 6373 1 10 . 1 1 99 99 TYR N N 99 117.955 117.955 117.982 -0.027 25443 6374 1 10 . 1 1 99 99 TYR HA H 99 5.078 5.078 4.186 0.892 25443 6375 1 10 . 1 1 99 99 TYR C C 99 180.957 180.957 178.211 2.746 25443 6376 1 10 . 1 1 99 99 TYR CA C 99 57.741 57.741 62.127 -4.386 25443 6377 1 10 . 1 1 99 99 TYR CB C 99 37.083 37.083 37.997 -0.914 25443 6378 1 10 . 1 1 99 99 TYR H H 99 8.660 8.660 7.946 0.714 25443 6379 1 10 . 1 1 100 100 GLU N N 100 118.796 118.796 119.083 -0.287 25443 6380 1 10 . 1 1 100 100 GLU HA H 100 4.024 4.024 3.942 0.082 25443 6381 1 10 . 1 1 100 100 GLU C C 100 178.571 178.571 179.005 -0.434 25443 6382 1 10 . 1 1 100 100 GLU CA C 100 59.400 59.400 59.294 0.106 25443 6383 1 10 . 1 1 100 100 GLU CB C 100 29.660 29.660 28.889 0.771 25443 6384 1 10 . 1 1 100 100 GLU H H 100 8.263 8.263 8.346 -0.083 25443 6385 1 10 . 1 1 101 101 ALA N N 101 123.346 123.346 122.853 0.493 25443 6386 1 10 . 1 1 101 101 ALA HA H 101 4.244 4.244 4.053 0.191 25443 6387 1 10 . 1 1 101 101 ALA C C 101 181.331 181.331 179.782 1.549 25443 6388 1 10 . 1 1 101 101 ALA CA C 101 54.851 54.851 54.957 -0.106 25443 6389 1 10 . 1 1 101 101 ALA CB C 101 18.559 18.559 18.442 0.117 25443 6390 1 10 . 1 1 101 101 ALA H H 101 7.966 7.966 8.185 -0.219 25443 6391 1 10 . 1 1 102 102 VAL N N 102 120.241 120.241 118.978 1.263 25443 6392 1 10 . 1 1 102 102 VAL HA H 102 3.713 3.713 3.596 0.117 25443 6393 1 10 . 1 1 102 102 VAL C C 102 176.967 176.967 177.421 -0.454 25443 6394 1 10 . 1 1 102 102 VAL CA C 102 67.433 67.433 65.763 1.670 25443 6395 1 10 . 1 1 102 102 VAL CB C 102 31.721 31.721 31.705 0.016 25443 6396 1 10 . 1 1 102 102 VAL H H 102 8.331 8.331 7.689 0.642 25443 6397 1 10 . 1 1 103 103 LYS N N 103 120.001 120.001 120.406 -0.405 25443 6398 1 10 . 1 1 103 103 LYS HA H 103 3.859 3.859 3.969 -0.110 25443 6399 1 10 . 1 1 103 103 LYS C C 103 178.500 178.500 178.586 -0.086 25443 6400 1 10 . 1 1 103 103 LYS CA C 103 59.652 59.652 59.232 0.420 25443 6401 1 10 . 1 1 103 103 LYS CB C 103 32.040 32.040 31.929 0.111 25443 6402 1 10 . 1 1 103 103 LYS H H 103 8.201 8.201 8.320 -0.119 25443 6403 1 10 . 1 1 104 104 GLU N N 104 116.335 116.335 118.934 -2.599 25443 6404 1 10 . 1 1 104 104 GLU HA H 104 3.928 3.928 3.973 -0.045 25443 6405 1 10 . 1 1 104 104 GLU C C 104 178.645 178.645 179.042 -0.397 25443 6406 1 10 . 1 1 104 104 GLU CA C 104 59.110 59.110 59.512 -0.402 25443 6407 1 10 . 1 1 104 104 GLU CB C 104 29.607 29.607 29.491 0.116 25443 6408 1 10 . 1 1 104 104 GLU H H 104 7.909 7.909 8.365 -0.456 25443 6409 1 10 . 1 1 105 105 GLU N N 105 119.210 119.210 120.818 -1.608 25443 6410 1 10 . 1 1 105 105 GLU HA H 105 3.844 3.844 4.087 -0.243 25443 6411 1 10 . 1 1 105 105 GLU C C 105 178.613 178.613 179.045 -0.432 25443 6412 1 10 . 1 1 105 105 GLU CA C 105 58.162 58.162 59.032 -0.870 25443 6413 1 10 . 1 1 105 105 GLU CB C 105 29.754 29.754 29.297 0.457 25443 6414 1 10 . 1 1 105 105 GLU H H 105 7.257 7.257 8.202 -0.945 25443 6415 1 10 . 1 1 106 106 LEU N N 106 117.408 117.408 119.638 -2.230 25443 6416 1 10 . 1 1 106 106 LEU HA H 106 3.976 3.976 3.941 0.035 25443 6417 1 10 . 1 1 106 106 LEU C C 106 178.646 178.646 178.807 -0.161 25443 6418 1 10 . 1 1 106 106 LEU CA C 106 56.699 56.699 57.884 -1.185 25443 6419 1 10 . 1 1 106 106 LEU CB C 106 40.455 40.455 41.644 -1.189 25443 6420 1 10 . 1 1 106 106 LEU H H 106 8.169 8.169 8.324 -0.155 25443 6421 1 10 . 1 1 107 107 ASP N N 107 119.073 119.073 119.294 -0.221 25443 6422 1 10 . 1 1 107 107 ASP HA H 107 4.521 4.521 4.284 0.237 25443 6423 1 10 . 1 1 107 107 ASP C C 107 177.069 177.069 178.670 -1.601 25443 6424 1 10 . 1 1 107 107 ASP CA C 107 55.099 55.099 57.851 -2.752 25443 6425 1 10 . 1 1 107 107 ASP CB C 107 40.670 40.670 40.867 -0.197 25443 6426 1 10 . 1 1 107 107 ASP H H 107 8.003 8.003 8.524 -0.521 25443 6427 1 10 . 1 1 108 108 ARG N N 108 120.705 120.705 118.347 2.358 25443 6428 1 10 . 1 1 108 108 ARG HA H 108 4.067 4.067 4.031 0.036 25443 6429 1 10 . 1 1 108 108 ARG C C 108 176.990 176.990 178.265 -1.275 25443 6430 1 10 . 1 1 108 108 ARG CA C 108 57.517 57.517 58.997 -1.480 25443 6431 1 10 . 1 1 108 108 ARG CB C 108 30.407 30.407 30.385 0.022 25443 6432 1 10 . 1 1 108 108 ARG H H 108 7.603 7.603 8.056 -0.453 25443 6433 1 10 . 1 1 109 109 ASP N N 109 120.246 120.246 119.622 0.624 25443 6434 1 10 . 1 1 109 109 ASP HA H 109 4.521 4.521 4.447 0.074 25443 6435 1 10 . 1 1 109 109 ASP C C 109 176.630 176.630 178.218 -1.588 25443 6436 1 10 . 1 1 109 109 ASP CA C 109 55.028 55.028 56.834 -1.806 25443 6437 1 10 . 1 1 109 109 ASP CB C 109 40.936 40.936 40.862 0.074 25443 6438 1 10 . 1 1 109 109 ASP H H 109 8.226 8.226 7.886 0.340 25443 6439 1 10 . 1 1 110 110 ILE N N 110 120.386 120.386 118.826 1.560 25443 6440 1 10 . 1 1 110 110 ILE HA H 110 3.987 3.987 3.861 0.126 25443 6441 1 10 . 1 1 110 110 ILE C C 110 176.996 176.996 177.423 -0.427 25443 6442 1 10 . 1 1 110 110 ILE CA C 110 62.241 62.241 63.821 -1.580 25443 6443 1 10 . 1 1 110 110 ILE CB C 110 38.359 38.359 38.643 -0.284 25443 6444 1 10 . 1 1 110 110 ILE H H 110 7.863 7.863 8.283 -0.420 25443 6445 1 10 . 1 1 111 111 VAL N N 111 122.548 122.548 113.642 8.906 25443 6446 1 10 . 1 1 111 111 VAL HA H 111 3.946 3.946 3.663 0.283 25443 6447 1 10 . 1 1 111 111 VAL C C 111 176.938 176.938 175.846 1.092 25443 6448 1 10 . 1 1 111 111 VAL CA C 111 63.499 63.499 65.352 -1.853 25443 6449 1 10 . 1 1 111 111 VAL CB C 111 32.223 32.223 30.410 1.813 25443 6450 1 10 . 1 1 111 111 VAL H H 111 8.016 8.016 7.775 0.241 25443 6451 1 10 . 1 1 112 112 SER N N 112 117.984 117.984 116.814 1.170 25443 6452 1 10 . 1 1 112 112 SER HA H 112 4.317 4.317 4.653 -0.336 25443 6453 1 10 . 1 1 112 112 SER C C 112 175.154 175.154 173.015 2.139 25443 6454 1 10 . 1 1 112 112 SER CA C 112 59.025 59.025 57.831 1.194 25443 6455 1 10 . 1 1 112 112 SER CB C 112 63.419 63.419 63.542 -0.123 25443 6456 1 10 . 1 1 112 112 SER H H 112 8.187 8.187 8.046 0.141 25443 6457 1 10 . 1 1 113 113 LYS N N 113 122.727 122.727 126.560 -3.833 25443 6458 1 10 . 1 1 113 113 LYS HA H 113 4.209 4.209 4.332 -0.123 25443 6459 1 10 . 1 1 113 113 LYS C C 113 176.713 176.713 175.724 0.989 25443 6460 1 10 . 1 1 113 113 LYS CA C 113 56.844 56.844 56.249 0.595 25443 6461 1 10 . 1 1 113 113 LYS CB C 113 32.794 32.794 32.062 0.731 25443 6462 1 10 . 1 1 113 113 LYS H H 113 8.152 8.152 8.475 -0.323 25443 6463 1 10 . 1 1 114 114 ASN N N 114 118.886 118.886 123.887 -5.001 25443 6464 1 10 . 1 1 114 114 ASN C C 114 175.227 175.227 175.318 -0.091 25443 6465 1 10 . 1 1 114 114 ASN CA C 114 53.549 53.549 52.950 0.599 25443 6466 1 10 . 1 1 114 114 ASN H H 114 8.261 8.261 8.420 -0.159 25443 6467 1 10 . 1 1 115 115 ASN N N 115 119.345 119.345 124.156 -4.811 25443 6468 1 10 . 1 1 115 115 ASN C C 115 174.896 174.896 175.129 -0.233 25443 6469 1 10 . 1 1 115 115 ASN CA C 115 53.476 53.476 53.745 -0.269 25443 6470 1 10 . 1 1 115 115 ASN H H 115 8.257 8.257 9.016 -0.759 25443 6471 1 10 . 1 1 116 116 ALA N N 116 123.669 123.669 122.693 0.976 25443 6472 1 10 . 1 1 116 116 ALA HA H 116 4.254 4.254 4.236 0.018 25443 6473 1 10 . 1 1 116 116 ALA C C 116 177.567 177.567 176.503 1.064 25443 6474 1 10 . 1 1 116 116 ALA CA C 116 52.678 52.678 52.146 0.532 25443 6475 1 10 . 1 1 116 116 ALA CB C 116 19.243 19.243 18.297 0.946 25443 6476 1 10 . 1 1 116 116 ALA H H 116 8.094 8.094 7.832 0.262 25443 6477 1 10 . 1 1 117 117 GLU N N 117 120.083 120.083 120.483 -0.400 25443 6478 1 10 . 1 1 117 117 GLU C C 117 175.564 175.564 177.238 -1.674 25443 6479 1 10 . 1 1 117 117 GLU CA C 117 56.602 56.602 56.382 0.220 25443 6480 1 10 . 1 1 117 117 GLU H H 117 8.221 8.221 8.505 -0.284 25443 6481 1 11 . 1 1 2 2 ALA HA H 2 4.286 4.286 4.366 -0.080 25443 6482 1 11 . 1 1 2 2 ALA C C 2 177.853 177.853 180.112 -2.259 25443 6483 1 11 . 1 1 2 2 ALA CA C 2 52.661 52.661 54.377 -1.716 25443 6484 1 11 . 1 1 2 2 ALA CB C 2 19.308 19.308 19.324 -0.016 25443 6485 1 11 . 1 1 3 3 MET N N 3 119.404 119.404 117.858 1.546 25443 6486 1 11 . 1 1 3 3 MET HA H 3 4.435 4.435 4.150 0.285 25443 6487 1 11 . 1 1 3 3 MET C C 3 176.731 176.731 177.862 -1.131 25443 6488 1 11 . 1 1 3 3 MET CA C 3 55.503 55.503 56.994 -1.491 25443 6489 1 11 . 1 1 3 3 MET CB C 3 32.795 32.795 31.660 1.135 25443 6490 1 11 . 1 1 3 3 MET H H 3 8.530 8.530 8.332 0.198 25443 6491 1 11 . 1 1 4 4 GLY N N 4 109.968 109.968 105.223 4.745 25443 6492 1 11 . 1 1 4 4 GLY C C 4 174.057 174.057 174.948 -0.891 25443 6493 1 11 . 1 1 4 4 GLY CA C 4 45.363 45.363 46.229 -0.866 25443 6494 1 11 . 1 1 4 4 GLY H H 4 8.414 8.414 8.324 0.090 25443 6495 1 11 . 1 1 5 5 ASN N N 5 118.659 118.659 118.317 0.342 25443 6496 1 11 . 1 1 5 5 ASN HA H 5 4.606 4.606 4.301 0.305 25443 6497 1 11 . 1 1 5 5 ASN C C 5 175.443 175.443 176.590 -1.147 25443 6498 1 11 . 1 1 5 5 ASN CA C 5 53.530 53.530 55.423 -1.893 25443 6499 1 11 . 1 1 5 5 ASN CB C 5 38.876 38.876 38.455 0.422 25443 6500 1 11 . 1 1 5 5 ASN H H 5 8.326 8.326 7.610 0.716 25443 6501 1 11 . 1 1 6 6 GLU N N 6 120.909 120.909 116.473 4.436 25443 6502 1 11 . 1 1 6 6 GLU HA H 6 4.097 4.097 4.441 -0.344 25443 6503 1 11 . 1 1 6 6 GLU C C 6 176.261 176.261 175.488 0.773 25443 6504 1 11 . 1 1 6 6 GLU CA C 6 57.171 57.171 56.123 1.048 25443 6505 1 11 . 1 1 6 6 GLU CB C 6 29.715 29.715 29.916 -0.201 25443 6506 1 11 . 1 1 6 6 GLU H H 6 8.633 8.633 8.032 0.601 25443 6507 1 11 . 1 1 7 7 TYR N N 7 120.283 120.283 113.689 6.594 25443 6508 1 11 . 1 1 7 7 TYR HA H 7 4.440 4.440 4.127 0.313 25443 6509 1 11 . 1 1 7 7 TYR C C 7 175.789 175.789 176.670 -0.881 25443 6510 1 11 . 1 1 7 7 TYR CA C 7 58.061 58.061 59.065 -1.004 25443 6511 1 11 . 1 1 7 7 TYR CB C 7 38.193 38.193 34.959 3.234 25443 6512 1 11 . 1 1 7 7 TYR H H 7 8.069 8.069 7.134 0.935 25443 6513 1 11 . 1 1 8 8 LYS N N 8 121.780 121.780 119.840 1.940 25443 6514 1 11 . 1 1 8 8 LYS HA H 8 4.107 4.107 4.054 0.053 25443 6515 1 11 . 1 1 8 8 LYS C C 8 175.970 175.970 177.806 -1.836 25443 6516 1 11 . 1 1 8 8 LYS CA C 8 56.550 56.550 59.229 -2.679 25443 6517 1 11 . 1 1 8 8 LYS CB C 8 33.141 33.141 32.077 1.064 25443 6518 1 11 . 1 1 8 8 LYS H H 8 7.868 7.868 8.324 -0.456 25443 6519 1 11 . 1 1 9 9 ASP N N 9 119.825 119.825 115.479 4.346 25443 6520 1 11 . 1 1 9 9 ASP HA H 9 4.577 4.577 4.541 0.036 25443 6521 1 11 . 1 1 9 9 ASP C C 9 175.979 175.979 176.004 -0.025 25443 6522 1 11 . 1 1 9 9 ASP CA C 9 54.608 54.608 54.551 0.057 25443 6523 1 11 . 1 1 9 9 ASP CB C 9 41.455 41.455 40.226 1.229 25443 6524 1 11 . 1 1 9 9 ASP H H 9 8.164 8.164 7.917 0.247 25443 6525 1 11 . 1 1 10 10 ASN N N 10 119.410 119.410 117.491 1.919 25443 6526 1 11 . 1 1 10 10 ASN HA H 10 4.935 4.935 5.069 -0.134 25443 6527 1 11 . 1 1 10 10 ASN C C 10 174.654 174.654 174.437 0.217 25443 6528 1 11 . 1 1 10 10 ASN CA C 10 52.792 52.792 52.834 -0.042 25443 6529 1 11 . 1 1 10 10 ASN CB C 10 38.554 38.554 40.340 -1.786 25443 6530 1 11 . 1 1 10 10 ASN H H 10 8.284 8.284 7.793 0.491 25443 6531 1 11 . 1 1 11 11 ALA N N 11 122.716 122.716 124.512 -1.796 25443 6532 1 11 . 1 1 11 11 ALA HA H 11 4.521 4.521 4.419 0.102 25443 6533 1 11 . 1 1 11 11 ALA CA C 11 53.148 53.148 52.169 0.979 25443 6534 1 11 . 1 1 11 11 ALA CB C 11 19.223 19.223 18.350 0.873 25443 6535 1 11 . 1 1 11 11 ALA H H 11 8.260 8.260 7.111 1.149 25443 6536 1 11 . 1 1 12 12 TYR HA H 12 4.943 4.943 5.408 -0.465 25443 6537 1 11 . 1 1 12 12 TYR C C 12 177.075 177.075 175.012 2.063 25443 6538 1 11 . 1 1 12 12 TYR CA C 12 57.314 57.314 56.293 1.021 25443 6539 1 11 . 1 1 12 12 TYR CB C 12 42.614 42.614 42.838 -0.224 25443 6540 1 11 . 1 1 13 13 ILE N N 13 114.211 114.211 117.680 -3.469 25443 6541 1 11 . 1 1 13 13 ILE HA H 13 4.981 4.981 5.090 -0.109 25443 6542 1 11 . 1 1 13 13 ILE C C 13 174.500 174.500 174.171 0.329 25443 6543 1 11 . 1 1 13 13 ILE CA C 13 60.380 60.380 59.118 1.262 25443 6544 1 11 . 1 1 13 13 ILE CB C 13 39.792 39.792 41.166 -1.374 25443 6545 1 11 . 1 1 13 13 ILE H H 13 9.358 9.358 8.794 0.564 25443 6546 1 11 . 1 1 14 14 TYR N N 14 124.891 124.891 127.715 -2.824 25443 6547 1 11 . 1 1 14 14 TYR HA H 14 4.579 4.579 4.862 -0.283 25443 6548 1 11 . 1 1 14 14 TYR C C 14 173.192 173.192 173.755 -0.563 25443 6549 1 11 . 1 1 14 14 TYR CA C 14 56.202 56.202 57.167 -0.965 25443 6550 1 11 . 1 1 14 14 TYR CB C 14 40.163 40.163 39.870 0.293 25443 6551 1 11 . 1 1 14 14 TYR H H 14 9.163 9.163 9.102 0.061 25443 6552 1 11 . 1 1 15 15 ILE N N 15 127.801 127.801 126.895 0.906 25443 6553 1 11 . 1 1 15 15 ILE HA H 15 4.210 4.210 4.700 -0.490 25443 6554 1 11 . 1 1 15 15 ILE C C 15 173.823 173.823 175.393 -1.570 25443 6555 1 11 . 1 1 15 15 ILE CA C 15 59.616 59.616 59.387 0.229 25443 6556 1 11 . 1 1 15 15 ILE CB C 15 39.735 39.735 40.338 -0.603 25443 6557 1 11 . 1 1 15 15 ILE H H 15 8.569 8.569 8.309 0.260 25443 6558 1 11 . 1 1 16 16 GLY N N 16 112.441 112.441 113.275 -0.834 25443 6559 1 11 . 1 1 16 16 GLY C C 16 173.159 173.159 173.950 -0.791 25443 6560 1 11 . 1 1 16 16 GLY CA C 16 43.244 43.244 42.990 0.254 25443 6561 1 11 . 1 1 16 16 GLY H H 16 9.354 9.354 8.187 1.167 25443 6562 1 11 . 1 1 17 17 ASN N N 17 114.797 114.797 117.863 -3.066 25443 6563 1 11 . 1 1 17 17 ASN HA H 17 4.347 4.347 4.486 -0.139 25443 6564 1 11 . 1 1 17 17 ASN C C 17 174.834 174.834 174.814 0.020 25443 6565 1 11 . 1 1 17 17 ASN CA C 17 53.214 53.214 53.863 -0.649 25443 6566 1 11 . 1 1 17 17 ASN CB C 17 37.826 37.826 38.152 -0.326 25443 6567 1 11 . 1 1 17 17 ASN H H 17 8.552 8.552 8.586 -0.034 25443 6568 1 11 . 1 1 18 18 LEU N N 18 114.526 114.526 123.573 -9.047 25443 6569 1 11 . 1 1 18 18 LEU HA H 18 3.994 3.994 4.549 -0.555 25443 6570 1 11 . 1 1 18 18 LEU C C 18 177.948 177.948 176.797 1.151 25443 6571 1 11 . 1 1 18 18 LEU CA C 18 53.772 53.772 53.566 0.206 25443 6572 1 11 . 1 1 18 18 LEU CB C 18 42.385 42.385 43.908 -1.523 25443 6573 1 11 . 1 1 18 18 LEU H H 18 7.743 7.743 7.946 -0.203 25443 6574 1 11 . 1 1 19 19 ASN N N 19 122.718 122.718 117.756 4.962 25443 6575 1 11 . 1 1 19 19 ASN HA H 19 4.302 4.302 4.854 -0.552 25443 6576 1 11 . 1 1 19 19 ASN C C 19 178.040 178.040 176.730 1.310 25443 6577 1 11 . 1 1 19 19 ASN CA C 19 54.421 54.421 53.016 1.405 25443 6578 1 11 . 1 1 19 19 ASN CB C 19 38.580 38.580 39.184 -0.605 25443 6579 1 11 . 1 1 19 19 ASN H H 19 8.758 8.758 8.600 0.158 25443 6580 1 11 . 1 1 20 20 ARG N N 20 128.821 128.821 121.060 7.761 25443 6581 1 11 . 1 1 20 20 ARG HA H 20 3.790 3.790 4.127 -0.337 25443 6582 1 11 . 1 1 20 20 ARG C C 20 175.566 175.566 176.056 -0.490 25443 6583 1 11 . 1 1 20 20 ARG CA C 20 58.775 58.775 58.082 0.693 25443 6584 1 11 . 1 1 20 20 ARG CB C 20 29.642 29.642 30.037 -0.395 25443 6585 1 11 . 1 1 20 20 ARG H H 20 8.997 8.997 8.631 0.366 25443 6586 1 11 . 1 1 21 21 GLU N N 21 117.438 117.438 118.004 -0.566 25443 6587 1 11 . 1 1 21 21 GLU HA H 21 4.214 4.214 4.320 -0.106 25443 6588 1 11 . 1 1 21 21 GLU C C 21 177.076 177.076 176.016 1.060 25443 6589 1 11 . 1 1 21 21 GLU CA C 21 56.677 56.677 56.377 0.300 25443 6590 1 11 . 1 1 21 21 GLU CB C 21 30.451 30.451 29.226 1.225 25443 6591 1 11 . 1 1 21 21 GLU H H 21 9.043 9.043 8.332 0.711 25443 6592 1 11 . 1 1 22 22 LEU N N 22 116.311 116.311 122.662 -6.351 25443 6593 1 11 . 1 1 22 22 LEU HA H 22 4.491 4.491 4.332 0.159 25443 6594 1 11 . 1 1 22 22 LEU C C 22 178.389 178.389 176.538 1.851 25443 6595 1 11 . 1 1 22 22 LEU CA C 22 55.496 55.496 54.376 1.120 25443 6596 1 11 . 1 1 22 22 LEU CB C 22 42.148 42.148 41.674 0.474 25443 6597 1 11 . 1 1 22 22 LEU H H 22 7.183 7.183 7.272 -0.089 25443 6598 1 11 . 1 1 23 23 THR N N 23 113.850 113.850 116.888 -3.038 25443 6599 1 11 . 1 1 23 23 THR HA H 23 4.289 4.289 4.518 -0.229 25443 6600 1 11 . 1 1 23 23 THR C C 23 175.229 175.229 175.395 -0.166 25443 6601 1 11 . 1 1 23 23 THR CA C 23 59.895 59.895 60.167 -0.272 25443 6602 1 11 . 1 1 23 23 THR CB C 23 71.989 71.989 70.715 1.274 25443 6603 1 11 . 1 1 23 23 THR H H 23 8.743 8.743 7.981 0.762 25443 6604 1 11 . 1 1 24 24 GLU N N 24 119.724 119.724 119.774 -0.050 25443 6605 1 11 . 1 1 24 24 GLU HA H 24 3.591 3.591 4.072 -0.481 25443 6606 1 11 . 1 1 24 24 GLU C C 24 178.597 178.597 178.654 -0.057 25443 6607 1 11 . 1 1 24 24 GLU CA C 24 63.490 63.490 59.398 4.092 25443 6608 1 11 . 1 1 24 24 GLU CB C 24 27.433 27.433 29.261 -1.828 25443 6609 1 11 . 1 1 24 24 GLU H H 24 9.641 9.641 8.888 0.753 25443 6610 1 11 . 1 1 25 25 GLY N N 25 104.430 104.430 108.034 -3.604 25443 6611 1 11 . 1 1 25 25 GLY C C 25 175.425 175.425 176.050 -0.625 25443 6612 1 11 . 1 1 25 25 GLY CA C 25 47.334 47.334 46.698 0.636 25443 6613 1 11 . 1 1 25 25 GLY H H 25 8.423 8.423 7.751 0.672 25443 6614 1 11 . 1 1 26 26 ASP N N 26 123.128 123.128 123.483 -0.355 25443 6615 1 11 . 1 1 26 26 ASP HA H 26 4.530 4.530 4.470 0.060 25443 6616 1 11 . 1 1 26 26 ASP C C 26 177.878 177.878 178.499 -0.621 25443 6617 1 11 . 1 1 26 26 ASP CA C 26 57.429 57.429 57.628 -0.199 25443 6618 1 11 . 1 1 26 26 ASP CB C 26 41.612 41.612 40.733 0.880 25443 6619 1 11 . 1 1 26 26 ASP H H 26 7.859 7.859 7.638 0.221 25443 6620 1 11 . 1 1 27 27 ILE N N 27 118.864 118.864 120.482 -1.618 25443 6621 1 11 . 1 1 27 27 ILE HA H 27 3.534 3.534 3.775 -0.241 25443 6622 1 11 . 1 1 27 27 ILE C C 27 178.225 178.225 178.014 0.211 25443 6623 1 11 . 1 1 27 27 ILE CA C 27 65.627 65.627 65.607 0.020 25443 6624 1 11 . 1 1 27 27 ILE CB C 27 37.614 37.614 38.093 -0.479 25443 6625 1 11 . 1 1 27 27 ILE H H 27 8.055 8.055 8.070 -0.015 25443 6626 1 11 . 1 1 28 28 LEU N N 28 119.416 119.416 118.893 0.523 25443 6627 1 11 . 1 1 28 28 LEU HA H 28 3.861 3.861 4.273 -0.412 25443 6628 1 11 . 1 1 28 28 LEU C C 28 179.884 179.884 179.274 0.610 25443 6629 1 11 . 1 1 28 28 LEU CA C 28 58.758 58.758 57.662 1.096 25443 6630 1 11 . 1 1 28 28 LEU CB C 28 41.137 41.137 41.140 -0.003 25443 6631 1 11 . 1 1 28 28 LEU H H 28 8.423 8.423 7.850 0.573 25443 6632 1 11 . 1 1 29 29 THR N N 29 119.586 119.586 116.853 2.733 25443 6633 1 11 . 1 1 29 29 THR HA H 29 3.790 3.790 4.015 -0.225 25443 6634 1 11 . 1 1 29 29 THR C C 29 176.530 176.530 176.778 -0.248 25443 6635 1 11 . 1 1 29 29 THR CA C 29 67.322 67.322 67.257 0.065 25443 6636 1 11 . 1 1 29 29 THR CB C 29 68.372 68.372 68.491 -0.119 25443 6637 1 11 . 1 1 29 29 THR H H 29 8.552 8.552 7.884 0.668 25443 6638 1 11 . 1 1 30 30 VAL N N 30 119.948 119.948 122.019 -2.071 25443 6639 1 11 . 1 1 30 30 VAL HA H 30 3.601 3.601 3.747 -0.146 25443 6640 1 11 . 1 1 30 30 VAL C C 30 178.670 178.670 177.684 0.986 25443 6641 1 11 . 1 1 30 30 VAL CA C 30 66.081 66.081 66.386 -0.305 25443 6642 1 11 . 1 1 30 30 VAL CB C 30 32.993 32.993 31.598 1.395 25443 6643 1 11 . 1 1 30 30 VAL H H 30 7.959 7.959 7.791 0.168 25443 6644 1 11 . 1 1 31 31 PHE N N 31 113.636 113.636 118.149 -4.513 25443 6645 1 11 . 1 1 31 31 PHE HA H 31 4.006 4.006 4.493 -0.487 25443 6646 1 11 . 1 1 31 31 PHE C C 31 180.133 180.133 178.002 2.131 25443 6647 1 11 . 1 1 31 31 PHE CA C 31 62.266 62.266 60.609 1.657 25443 6648 1 11 . 1 1 31 31 PHE CB C 31 37.711 37.711 38.074 -0.363 25443 6649 1 11 . 1 1 31 31 PHE H H 31 8.726 8.726 8.692 0.034 25443 6650 1 11 . 1 1 32 32 SER N N 32 119.746 119.746 116.958 2.788 25443 6651 1 11 . 1 1 32 32 SER HA H 32 5.107 5.107 4.045 1.062 25443 6652 1 11 . 1 1 32 32 SER C C 32 173.450 173.450 176.404 -2.954 25443 6653 1 11 . 1 1 32 32 SER CA C 32 61.440 61.440 61.805 -0.365 25443 6654 1 11 . 1 1 32 32 SER CB C 32 62.690 62.690 62.270 0.420 25443 6655 1 11 . 1 1 32 32 SER H H 32 8.564 8.564 8.282 0.282 25443 6656 1 11 . 1 1 33 33 GLU N N 33 118.689 118.689 120.258 -1.569 25443 6657 1 11 . 1 1 33 33 GLU HA H 33 3.854 3.854 3.965 -0.111 25443 6658 1 11 . 1 1 33 33 GLU C C 33 176.471 176.471 176.120 0.351 25443 6659 1 11 . 1 1 33 33 GLU CA C 33 57.997 57.997 57.022 0.975 25443 6660 1 11 . 1 1 33 33 GLU CB C 33 29.503 29.503 29.313 0.190 25443 6661 1 11 . 1 1 33 33 GLU H H 33 6.733 6.733 7.718 -0.985 25443 6662 1 11 . 1 1 34 34 TYR N N 34 111.313 111.313 116.845 -5.532 25443 6663 1 11 . 1 1 34 34 TYR HA H 34 4.469 4.469 4.465 0.004 25443 6664 1 11 . 1 1 34 34 TYR C C 34 174.351 174.351 174.313 0.038 25443 6665 1 11 . 1 1 34 34 TYR CA C 34 57.940 57.940 56.698 1.242 25443 6666 1 11 . 1 1 34 34 TYR CB C 34 39.557 39.557 38.957 0.600 25443 6667 1 11 . 1 1 34 34 TYR H H 34 6.662 6.662 7.501 -0.839 25443 6668 1 11 . 1 1 35 35 GLY N N 35 106.055 106.055 108.572 -2.517 25443 6669 1 11 . 1 1 35 35 GLY C C 35 170.709 170.709 173.911 -3.202 25443 6670 1 11 . 1 1 35 35 GLY CA C 35 45.230 45.230 44.627 0.603 25443 6671 1 11 . 1 1 35 35 GLY H H 35 7.302 7.302 7.334 -0.032 25443 6672 1 11 . 1 1 36 36 VAL N N 36 121.596 121.596 118.875 2.721 25443 6673 1 11 . 1 1 36 36 VAL HA H 36 4.492 4.492 4.007 0.485 25443 6674 1 11 . 1 1 36 36 VAL CA C 36 59.912 59.912 60.605 -0.693 25443 6675 1 11 . 1 1 36 36 VAL CB C 36 33.632 33.632 31.265 2.367 25443 6676 1 11 . 1 1 36 36 VAL H H 36 8.595 8.595 7.520 1.075 25443 6677 1 11 . 1 1 37 37 PRO HA H 37 4.499 4.499 4.277 0.222 25443 6678 1 11 . 1 1 37 37 PRO C C 37 176.150 176.150 175.713 0.437 25443 6679 1 11 . 1 1 37 37 PRO CA C 37 62.320 62.320 64.383 -2.063 25443 6680 1 11 . 1 1 37 37 PRO CB C 37 31.945 31.945 30.301 1.644 25443 6681 1 11 . 1 1 38 38 VAL N N 38 114.135 114.135 121.254 -7.119 25443 6682 1 11 . 1 1 38 38 VAL HA H 38 4.436 4.436 4.345 0.091 25443 6683 1 11 . 1 1 38 38 VAL C C 38 175.124 175.124 175.086 0.038 25443 6684 1 11 . 1 1 38 38 VAL CA C 38 60.488 60.488 59.352 1.136 25443 6685 1 11 . 1 1 38 38 VAL CB C 38 32.560 32.560 34.346 -1.786 25443 6686 1 11 . 1 1 38 38 VAL H H 38 9.006 9.006 7.840 1.166 25443 6687 1 11 . 1 1 39 39 ASP N N 39 118.095 118.095 122.642 -4.547 25443 6688 1 11 . 1 1 39 39 ASP HA H 39 4.626 4.626 4.661 -0.035 25443 6689 1 11 . 1 1 39 39 ASP C C 39 174.577 174.577 174.830 -0.253 25443 6690 1 11 . 1 1 39 39 ASP CA C 39 54.706 54.706 54.936 -0.230 25443 6691 1 11 . 1 1 39 39 ASP CB C 39 43.495 43.495 40.890 2.605 25443 6692 1 11 . 1 1 39 39 ASP H H 39 7.454 7.454 8.227 -0.773 25443 6693 1 11 . 1 1 40 40 VAL N N 40 121.566 121.566 123.911 -2.345 25443 6694 1 11 . 1 1 40 40 VAL HA H 40 4.897 4.897 4.621 0.276 25443 6695 1 11 . 1 1 40 40 VAL C C 40 170.928 170.928 174.955 -4.027 25443 6696 1 11 . 1 1 40 40 VAL CA C 40 60.729 60.729 60.495 0.235 25443 6697 1 11 . 1 1 40 40 VAL CB C 40 34.373 34.373 34.923 -0.550 25443 6698 1 11 . 1 1 40 40 VAL H H 40 7.576 7.576 8.086 -0.510 25443 6699 1 11 . 1 1 41 41 ILE N N 41 125.247 125.247 129.783 -4.536 25443 6700 1 11 . 1 1 41 41 ILE HA H 41 4.752 4.752 4.645 0.107 25443 6701 1 11 . 1 1 41 41 ILE C C 41 175.440 175.440 174.159 1.281 25443 6702 1 11 . 1 1 41 41 ILE CA C 41 61.609 61.609 60.123 1.486 25443 6703 1 11 . 1 1 41 41 ILE H H 41 8.929 8.929 9.223 -0.294 25443 6704 1 11 . 1 1 42 42 LEU N N 42 128.791 128.791 128.918 -0.127 25443 6705 1 11 . 1 1 42 42 LEU HA H 42 4.387 4.387 4.580 -0.193 25443 6706 1 11 . 1 1 42 42 LEU C C 42 174.979 174.979 175.545 -0.566 25443 6707 1 11 . 1 1 42 42 LEU CA C 42 53.345 53.345 53.784 -0.439 25443 6708 1 11 . 1 1 42 42 LEU CB C 42 43.298 43.298 43.300 -0.002 25443 6709 1 11 . 1 1 42 42 LEU H H 42 8.309 8.309 8.886 -0.577 25443 6710 1 11 . 1 1 43 43 SER N N 43 122.753 122.753 122.246 0.507 25443 6711 1 11 . 1 1 43 43 SER HA H 43 3.821 3.821 4.213 -0.392 25443 6712 1 11 . 1 1 43 43 SER C C 43 173.870 173.870 173.618 0.252 25443 6713 1 11 . 1 1 43 43 SER CA C 43 59.707 59.707 58.043 1.664 25443 6714 1 11 . 1 1 43 43 SER CB C 43 62.714 62.714 62.642 0.071 25443 6715 1 11 . 1 1 43 43 SER H H 43 8.317 8.317 8.253 0.064 25443 6716 1 11 . 1 1 44 44 ARG N N 44 128.068 128.068 127.065 1.003 25443 6717 1 11 . 1 1 44 44 ARG HA H 44 4.763 4.763 4.730 0.033 25443 6718 1 11 . 1 1 44 44 ARG C C 44 175.094 175.094 175.450 -0.356 25443 6719 1 11 . 1 1 44 44 ARG CA C 44 54.100 54.100 54.426 -0.326 25443 6720 1 11 . 1 1 44 44 ARG CB C 44 34.218 34.218 33.134 1.084 25443 6721 1 11 . 1 1 44 44 ARG H H 44 8.152 8.152 7.883 0.269 25443 6722 1 11 . 1 1 45 45 ASP N N 45 123.595 123.595 121.078 2.517 25443 6723 1 11 . 1 1 45 45 ASP HA H 45 4.172 4.172 4.502 -0.330 25443 6724 1 11 . 1 1 45 45 ASP C C 45 177.467 177.467 177.236 0.231 25443 6725 1 11 . 1 1 45 45 ASP CA C 45 54.898 54.898 54.067 0.831 25443 6726 1 11 . 1 1 45 45 ASP CB C 45 43.568 43.568 42.773 0.795 25443 6727 1 11 . 1 1 45 45 ASP H H 45 8.628 8.628 8.738 -0.110 25443 6728 1 11 . 1 1 46 46 GLU N N 46 125.161 125.161 123.615 1.546 25443 6729 1 11 . 1 1 46 46 GLU HA H 46 3.843 3.843 4.141 -0.298 25443 6730 1 11 . 1 1 46 46 GLU C C 46 175.690 175.690 176.662 -0.972 25443 6731 1 11 . 1 1 46 46 GLU CA C 46 58.861 58.861 58.105 0.756 25443 6732 1 11 . 1 1 46 46 GLU CB C 46 29.636 29.636 29.796 -0.160 25443 6733 1 11 . 1 1 46 46 GLU H H 46 9.013 9.013 8.882 0.131 25443 6734 1 11 . 1 1 47 47 ASN N N 47 115.135 115.135 116.954 -1.819 25443 6735 1 11 . 1 1 47 47 ASN HA H 47 4.842 4.842 4.805 0.037 25443 6736 1 11 . 1 1 47 47 ASN C C 47 176.655 176.655 176.834 -0.179 25443 6737 1 11 . 1 1 47 47 ASN CA C 47 54.897 54.897 54.356 0.541 25443 6738 1 11 . 1 1 47 47 ASN CB C 47 40.141 40.141 39.757 0.384 25443 6739 1 11 . 1 1 47 47 ASN H H 47 8.926 8.926 8.662 0.264 25443 6740 1 11 . 1 1 48 48 THR N N 48 107.544 107.544 112.748 -5.204 25443 6741 1 11 . 1 1 48 48 THR HA H 48 4.400 4.400 4.482 -0.082 25443 6742 1 11 . 1 1 48 48 THR C C 48 176.484 176.484 175.598 0.886 25443 6743 1 11 . 1 1 48 48 THR CA C 48 61.513 61.513 62.036 -0.523 25443 6744 1 11 . 1 1 48 48 THR CB C 48 71.189 71.189 69.443 1.746 25443 6745 1 11 . 1 1 48 48 THR H H 48 8.455 8.455 8.792 -0.337 25443 6746 1 11 . 1 1 49 49 GLY N N 49 111.753 111.753 109.786 1.967 25443 6747 1 11 . 1 1 49 49 GLY C C 49 173.167 173.167 173.364 -0.197 25443 6748 1 11 . 1 1 49 49 GLY CA C 49 45.628 45.628 45.584 0.044 25443 6749 1 11 . 1 1 49 49 GLY H H 49 8.607 8.607 7.672 0.935 25443 6750 1 11 . 1 1 50 50 GLU N N 50 119.978 119.978 119.731 0.247 25443 6751 1 11 . 1 1 50 50 GLU HA H 50 4.071 4.071 4.455 -0.384 25443 6752 1 11 . 1 1 50 50 GLU C C 50 176.629 176.629 176.044 0.585 25443 6753 1 11 . 1 1 50 50 GLU CA C 50 56.500 56.500 54.771 1.729 25443 6754 1 11 . 1 1 50 50 GLU CB C 50 30.927 30.927 30.268 0.659 25443 6755 1 11 . 1 1 50 50 GLU H H 50 7.796 7.796 8.074 -0.278 25443 6756 1 11 . 1 1 51 51 SER N N 51 115.672 115.672 117.146 -1.474 25443 6757 1 11 . 1 1 51 51 SER HA H 51 4.205 4.205 4.580 -0.375 25443 6758 1 11 . 1 1 51 51 SER C C 51 176.532 176.532 175.035 1.497 25443 6759 1 11 . 1 1 51 51 SER CA C 51 58.320 58.320 59.266 -0.946 25443 6760 1 11 . 1 1 51 51 SER CB C 51 64.596 64.596 63.194 1.402 25443 6761 1 11 . 1 1 51 51 SER H H 51 8.889 8.889 8.552 0.337 25443 6762 1 11 . 1 1 52 52 GLN N N 52 123.139 123.139 125.727 -2.588 25443 6763 1 11 . 1 1 52 52 GLN HA H 52 4.421 4.421 4.175 0.246 25443 6764 1 11 . 1 1 52 52 GLN C C 52 177.396 177.396 176.903 0.493 25443 6765 1 11 . 1 1 52 52 GLN CA C 52 55.051 55.051 56.952 -1.901 25443 6766 1 11 . 1 1 52 52 GLN CB C 52 29.874 29.874 28.867 1.007 25443 6767 1 11 . 1 1 52 52 GLN H H 52 9.078 9.078 8.815 0.263 25443 6768 1 11 . 1 1 53 53 GLY N N 53 105.904 105.904 106.085 -0.181 25443 6769 1 11 . 1 1 53 53 GLY C C 53 172.046 172.046 173.415 -1.369 25443 6770 1 11 . 1 1 53 53 GLY CA C 53 46.550 46.550 44.672 1.878 25443 6771 1 11 . 1 1 53 53 GLY H H 53 8.851 8.851 8.307 0.544 25443 6772 1 11 . 1 1 54 54 PHE N N 54 111.888 111.888 113.730 -1.842 25443 6773 1 11 . 1 1 54 54 PHE HA H 54 5.253 5.253 5.112 0.141 25443 6774 1 11 . 1 1 54 54 PHE C C 54 171.570 171.570 172.540 -0.970 25443 6775 1 11 . 1 1 54 54 PHE CA C 54 55.592 55.592 55.440 0.152 25443 6776 1 11 . 1 1 54 54 PHE CB C 54 40.806 40.806 40.343 0.463 25443 6777 1 11 . 1 1 54 54 PHE H H 54 6.827 6.827 7.071 -0.244 25443 6778 1 11 . 1 1 55 55 ALA N N 55 121.888 121.888 119.860 2.028 25443 6779 1 11 . 1 1 55 55 ALA HA H 55 5.032 5.032 4.779 0.253 25443 6780 1 11 . 1 1 55 55 ALA C C 55 172.957 172.957 174.262 -1.305 25443 6781 1 11 . 1 1 55 55 ALA CA C 55 49.477 49.477 50.962 -1.485 25443 6782 1 11 . 1 1 55 55 ALA H H 55 8.927 8.927 8.286 0.641 25443 6783 1 11 . 1 1 56 56 TYR N N 56 115.049 115.049 115.985 -0.936 25443 6784 1 11 . 1 1 56 56 TYR HA H 56 5.602 5.602 5.724 -0.122 25443 6785 1 11 . 1 1 56 56 TYR C C 56 175.162 175.162 174.140 1.022 25443 6786 1 11 . 1 1 56 56 TYR CA C 56 55.444 55.444 56.494 -1.050 25443 6787 1 11 . 1 1 56 56 TYR CB C 56 42.189 42.189 42.846 -0.658 25443 6788 1 11 . 1 1 56 56 TYR H H 56 9.020 9.020 8.968 0.052 25443 6789 1 11 . 1 1 57 57 LEU N N 57 122.745 122.745 122.942 -0.197 25443 6790 1 11 . 1 1 57 57 LEU HA H 57 4.713 4.713 4.852 -0.139 25443 6791 1 11 . 1 1 57 57 LEU C C 57 172.371 172.371 174.666 -2.295 25443 6792 1 11 . 1 1 57 57 LEU CA C 57 54.712 54.712 54.109 0.603 25443 6793 1 11 . 1 1 57 57 LEU CB C 57 46.754 46.754 46.022 0.732 25443 6794 1 11 . 1 1 57 57 LEU H H 57 8.706 8.706 8.707 -0.001 25443 6795 1 11 . 1 1 58 58 LYS N N 58 125.469 125.469 128.391 -2.922 25443 6796 1 11 . 1 1 58 58 LYS HA H 58 4.467 4.467 4.668 -0.201 25443 6797 1 11 . 1 1 58 58 LYS C C 58 175.152 175.152 174.203 0.949 25443 6798 1 11 . 1 1 58 58 LYS CA C 58 54.494 54.494 54.127 0.367 25443 6799 1 11 . 1 1 58 58 LYS CB C 58 36.479 36.479 33.760 2.719 25443 6800 1 11 . 1 1 58 58 LYS H H 58 7.948 7.948 8.819 -0.871 25443 6801 1 11 . 1 1 59 59 TYR N N 59 126.261 126.261 121.273 4.988 25443 6802 1 11 . 1 1 59 59 TYR HA H 59 5.003 5.003 4.773 0.230 25443 6803 1 11 . 1 1 59 59 TYR C C 59 176.020 176.020 174.102 1.918 25443 6804 1 11 . 1 1 59 59 TYR CA C 59 57.992 57.992 55.440 2.552 25443 6805 1 11 . 1 1 59 59 TYR CB C 59 41.715 41.715 40.373 1.342 25443 6806 1 11 . 1 1 59 59 TYR H H 59 8.957 8.957 7.522 1.435 25443 6807 1 11 . 1 1 60 60 GLU N N 60 120.342 120.342 122.412 -2.070 25443 6808 1 11 . 1 1 60 60 GLU HA H 60 3.839 3.839 4.358 -0.519 25443 6809 1 11 . 1 1 60 60 GLU C C 60 175.346 175.346 175.716 -0.370 25443 6810 1 11 . 1 1 60 60 GLU CA C 60 59.057 59.057 56.087 2.970 25443 6811 1 11 . 1 1 60 60 GLU CB C 60 30.653 30.653 30.070 0.583 25443 6812 1 11 . 1 1 60 60 GLU H H 60 8.845 8.845 8.833 0.012 25443 6813 1 11 . 1 1 61 61 ASP N N 61 116.193 116.193 125.163 -8.970 25443 6814 1 11 . 1 1 61 61 ASP HA H 61 4.915 4.915 4.715 0.201 25443 6815 1 11 . 1 1 61 61 ASP C C 61 176.659 176.659 175.658 1.001 25443 6816 1 11 . 1 1 61 61 ASP CA C 61 51.856 51.856 54.985 -3.129 25443 6817 1 11 . 1 1 61 61 ASP CB C 61 43.726 43.726 42.802 0.924 25443 6818 1 11 . 1 1 61 61 ASP H H 61 7.922 7.922 8.177 -0.255 25443 6819 1 11 . 1 1 62 62 GLN N N 62 125.812 125.812 123.709 2.103 25443 6820 1 11 . 1 1 62 62 GLN HA H 62 4.221 4.221 4.225 -0.004 25443 6821 1 11 . 1 1 62 62 GLN C C 62 178.430 178.430 176.578 1.852 25443 6822 1 11 . 1 1 62 62 GLN CA C 62 58.449 58.449 57.489 0.960 25443 6823 1 11 . 1 1 62 62 GLN CB C 62 28.076 28.076 29.075 -0.999 25443 6824 1 11 . 1 1 62 62 GLN H H 62 8.964 8.964 8.804 0.160 25443 6825 1 11 . 1 1 63 63 ARG N N 63 120.943 120.943 119.398 1.545 25443 6826 1 11 . 1 1 63 63 ARG HA H 63 3.979 3.979 4.240 -0.261 25443 6827 1 11 . 1 1 63 63 ARG C C 63 179.350 179.350 178.463 0.887 25443 6828 1 11 . 1 1 63 63 ARG CA C 63 59.398 59.398 58.823 0.575 25443 6829 1 11 . 1 1 63 63 ARG CB C 63 29.466 29.466 30.778 -1.312 25443 6830 1 11 . 1 1 63 63 ARG H H 63 8.965 8.965 7.848 1.117 25443 6831 1 11 . 1 1 64 64 SER N N 64 115.358 115.358 116.040 -0.682 25443 6832 1 11 . 1 1 64 64 SER HA H 64 3.898 3.898 4.350 -0.452 25443 6833 1 11 . 1 1 64 64 SER C C 64 174.444 174.444 176.340 -1.896 25443 6834 1 11 . 1 1 64 64 SER CA C 64 62.459 62.459 62.274 0.185 25443 6835 1 11 . 1 1 64 64 SER CB C 64 62.040 62.040 62.799 -0.759 25443 6836 1 11 . 1 1 64 64 SER H H 64 8.065 8.065 9.531 -1.466 25443 6837 1 11 . 1 1 65 65 THR N N 65 113.614 113.614 116.453 -2.839 25443 6838 1 11 . 1 1 65 65 THR HA H 65 3.751 3.751 4.468 -0.717 25443 6839 1 11 . 1 1 65 65 THR C C 65 175.357 175.357 176.690 -1.333 25443 6840 1 11 . 1 1 65 65 THR CA C 65 66.292 66.292 65.343 0.949 25443 6841 1 11 . 1 1 65 65 THR CB C 65 68.457 68.457 68.602 -0.145 25443 6842 1 11 . 1 1 65 65 THR H H 65 7.484 7.484 8.075 -0.591 25443 6843 1 11 . 1 1 66 66 ILE N N 66 120.736 120.736 122.365 -1.629 25443 6844 1 11 . 1 1 66 66 ILE HA H 66 3.653 3.653 4.267 -0.614 25443 6845 1 11 . 1 1 66 66 ILE C C 66 177.518 177.518 177.898 -0.380 25443 6846 1 11 . 1 1 66 66 ILE CA C 66 64.014 64.014 62.263 1.751 25443 6847 1 11 . 1 1 66 66 ILE CB C 66 42.194 42.194 36.366 5.828 25443 6848 1 11 . 1 1 66 66 ILE H H 66 6.976 6.976 7.563 -0.587 25443 6849 1 11 . 1 1 67 67 LEU N N 67 117.584 117.584 121.764 -4.180 25443 6850 1 11 . 1 1 67 67 LEU HA H 67 3.921 3.921 3.970 -0.049 25443 6851 1 11 . 1 1 67 67 LEU C C 67 179.650 179.650 178.667 0.983 25443 6852 1 11 . 1 1 67 67 LEU CA C 67 57.452 57.452 58.485 -1.033 25443 6853 1 11 . 1 1 67 67 LEU CB C 67 42.172 42.172 41.850 0.322 25443 6854 1 11 . 1 1 67 67 LEU H H 67 7.006 7.006 7.831 -0.825 25443 6855 1 11 . 1 1 68 68 ALA N N 68 121.025 121.025 121.256 -0.231 25443 6856 1 11 . 1 1 68 68 ALA HA H 68 3.285 3.285 3.931 -0.646 25443 6857 1 11 . 1 1 68 68 ALA C C 68 179.216 179.216 179.700 -0.484 25443 6858 1 11 . 1 1 68 68 ALA CA C 68 55.564 55.564 55.388 0.176 25443 6859 1 11 . 1 1 68 68 ALA CB C 68 18.852 18.852 18.130 0.722 25443 6860 1 11 . 1 1 68 68 ALA H H 68 8.121 8.121 8.677 -0.556 25443 6861 1 11 . 1 1 69 69 VAL N N 69 117.799 117.799 117.824 -0.025 25443 6862 1 11 . 1 1 69 69 VAL HA H 69 3.243 3.243 3.544 -0.301 25443 6863 1 11 . 1 1 69 69 VAL C C 69 178.541 178.541 178.155 0.386 25443 6864 1 11 . 1 1 69 69 VAL CA C 69 67.237 67.237 66.698 0.539 25443 6865 1 11 . 1 1 69 69 VAL CB C 69 31.679 31.679 31.703 -0.024 25443 6866 1 11 . 1 1 69 69 VAL H H 69 8.012 8.012 7.658 0.354 25443 6867 1 11 . 1 1 70 70 ASP N N 70 117.013 117.013 117.389 -0.376 25443 6868 1 11 . 1 1 70 70 ASP HA H 70 4.339 4.339 4.488 -0.149 25443 6869 1 11 . 1 1 70 70 ASP C C 70 178.330 178.330 177.378 0.952 25443 6870 1 11 . 1 1 70 70 ASP CA C 70 57.131 57.131 56.803 0.328 25443 6871 1 11 . 1 1 70 70 ASP CB C 70 40.465 40.465 41.542 -1.077 25443 6872 1 11 . 1 1 70 70 ASP H H 70 8.216 8.216 7.936 0.280 25443 6873 1 11 . 1 1 71 71 ASN N N 71 112.777 112.777 116.344 -3.567 25443 6874 1 11 . 1 1 71 71 ASN HA H 71 4.587 4.587 4.640 -0.053 25443 6875 1 11 . 1 1 71 71 ASN C C 71 176.314 176.314 177.105 -0.791 25443 6876 1 11 . 1 1 71 71 ASN CA C 71 55.474 55.474 55.187 0.287 25443 6877 1 11 . 1 1 71 71 ASN CB C 71 40.592 40.592 39.129 1.463 25443 6878 1 11 . 1 1 71 71 ASN H H 71 7.582 7.582 8.202 -0.620 25443 6879 1 11 . 1 1 72 72 LEU N N 72 116.551 116.551 117.245 -0.694 25443 6880 1 11 . 1 1 72 72 LEU HA H 72 4.494 4.494 4.045 0.449 25443 6881 1 11 . 1 1 72 72 LEU C C 72 177.500 177.500 176.452 1.048 25443 6882 1 11 . 1 1 72 72 LEU CA C 72 54.590 54.590 55.489 -0.899 25443 6883 1 11 . 1 1 72 72 LEU CB C 72 42.862 42.862 41.624 1.238 25443 6884 1 11 . 1 1 72 72 LEU H H 72 8.201 8.201 7.947 0.254 25443 6885 1 11 . 1 1 73 73 ASN N N 73 118.974 118.974 117.759 1.215 25443 6886 1 11 . 1 1 73 73 ASN HA H 73 4.392 4.392 4.647 -0.255 25443 6887 1 11 . 1 1 73 73 ASN C C 73 177.151 177.151 176.420 0.731 25443 6888 1 11 . 1 1 73 73 ASN CA C 73 56.276 56.276 54.529 1.747 25443 6889 1 11 . 1 1 73 73 ASN CB C 73 38.853 38.853 37.925 0.928 25443 6890 1 11 . 1 1 73 73 ASN H H 73 7.406 7.406 7.565 -0.159 25443 6891 1 11 . 1 1 74 74 GLY N N 74 116.478 116.478 114.612 1.866 25443 6892 1 11 . 1 1 74 74 GLY C C 74 172.756 172.756 173.860 -1.104 25443 6893 1 11 . 1 1 74 74 GLY CA C 74 45.662 45.662 44.975 0.687 25443 6894 1 11 . 1 1 74 74 GLY H H 74 9.106 9.106 8.998 0.108 25443 6895 1 11 . 1 1 75 75 PHE N N 75 123.853 123.853 123.287 0.566 25443 6896 1 11 . 1 1 75 75 PHE HA H 75 4.328 4.328 4.448 -0.120 25443 6897 1 11 . 1 1 75 75 PHE C C 75 175.065 175.065 174.517 0.548 25443 6898 1 11 . 1 1 75 75 PHE CA C 75 58.371 58.371 58.174 0.197 25443 6899 1 11 . 1 1 75 75 PHE CB C 75 40.947 40.947 40.198 0.749 25443 6900 1 11 . 1 1 75 75 PHE H H 75 8.074 8.074 7.725 0.349 25443 6901 1 11 . 1 1 76 76 LYS N N 76 126.700 126.700 127.092 -0.392 25443 6902 1 11 . 1 1 76 76 LYS HA H 76 4.536 4.536 4.816 -0.280 25443 6903 1 11 . 1 1 76 76 LYS C C 76 175.395 175.395 175.606 -0.211 25443 6904 1 11 . 1 1 76 76 LYS CA C 76 56.227 56.227 55.765 0.462 25443 6905 1 11 . 1 1 76 76 LYS CB C 76 32.969 32.969 33.348 -0.379 25443 6906 1 11 . 1 1 76 76 LYS H H 76 7.766 7.766 8.021 -0.255 25443 6907 1 11 . 1 1 77 77 ILE N N 77 120.686 120.686 124.320 -3.634 25443 6908 1 11 . 1 1 77 77 ILE HA H 77 4.231 4.231 4.232 -0.001 25443 6909 1 11 . 1 1 77 77 ILE C C 77 177.605 177.605 176.415 1.190 25443 6910 1 11 . 1 1 77 77 ILE CA C 77 59.981 59.981 60.410 -0.429 25443 6911 1 11 . 1 1 77 77 ILE CB C 77 40.409 40.409 38.895 1.514 25443 6912 1 11 . 1 1 77 77 ILE H H 77 8.005 8.005 8.869 -0.864 25443 6913 1 11 . 1 1 78 78 GLY N N 78 118.352 118.352 116.770 1.582 25443 6914 1 11 . 1 1 78 78 GLY C C 78 175.639 175.639 175.029 0.610 25443 6915 1 11 . 1 1 78 78 GLY CA C 78 47.227 47.227 45.336 1.891 25443 6916 1 11 . 1 1 78 78 GLY H H 78 9.800 9.800 8.952 0.848 25443 6917 1 11 . 1 1 79 79 GLY N N 79 104.167 104.167 104.616 -0.449 25443 6918 1 11 . 1 1 79 79 GLY C C 79 173.371 173.371 174.320 -0.949 25443 6919 1 11 . 1 1 79 79 GLY CA C 79 45.037 45.037 44.781 0.256 25443 6920 1 11 . 1 1 79 79 GLY H H 79 8.795 8.795 8.256 0.539 25443 6921 1 11 . 1 1 80 80 ARG N N 80 119.090 119.090 121.926 -2.836 25443 6922 1 11 . 1 1 80 80 ARG HA H 80 4.590 4.590 4.568 0.022 25443 6923 1 11 . 1 1 80 80 ARG C C 80 174.563 174.563 174.805 -0.242 25443 6924 1 11 . 1 1 80 80 ARG CA C 80 54.615 54.615 53.659 0.956 25443 6925 1 11 . 1 1 80 80 ARG CB C 80 33.487 33.487 31.199 2.288 25443 6926 1 11 . 1 1 80 80 ARG H H 80 7.281 7.281 7.426 -0.145 25443 6927 1 11 . 1 1 81 81 ALA N N 81 126.039 126.039 129.533 -3.494 25443 6928 1 11 . 1 1 81 81 ALA HA H 81 4.216 4.216 4.443 -0.227 25443 6929 1 11 . 1 1 81 81 ALA C C 81 177.149 177.149 177.138 0.011 25443 6930 1 11 . 1 1 81 81 ALA CA C 81 51.081 51.081 51.559 -0.478 25443 6931 1 11 . 1 1 81 81 ALA CB C 81 19.226 19.226 18.716 0.510 25443 6932 1 11 . 1 1 81 81 ALA H H 81 8.651 8.651 8.868 -0.217 25443 6933 1 11 . 1 1 82 82 LEU N N 82 125.451 125.451 126.125 -0.674 25443 6934 1 11 . 1 1 82 82 LEU HA H 82 4.390 4.390 4.289 0.101 25443 6935 1 11 . 1 1 82 82 LEU C C 82 177.498 177.498 176.502 0.996 25443 6936 1 11 . 1 1 82 82 LEU CA C 82 56.065 56.065 55.125 0.940 25443 6937 1 11 . 1 1 82 82 LEU CB C 82 43.267 43.267 42.618 0.649 25443 6938 1 11 . 1 1 82 82 LEU H H 82 8.805 8.805 8.728 0.077 25443 6939 1 11 . 1 1 83 83 LYS N N 83 123.253 123.253 123.951 -0.698 25443 6940 1 11 . 1 1 83 83 LYS C C 83 174.892 174.892 175.370 -0.478 25443 6941 1 11 . 1 1 83 83 LYS CA C 83 54.892 54.892 53.854 1.038 25443 6942 1 11 . 1 1 83 83 LYS H H 83 7.768 7.768 8.595 -0.827 25443 6943 1 11 . 1 1 84 84 ILE N N 84 125.577 125.577 124.236 1.341 25443 6944 1 11 . 1 1 84 84 ILE HA H 84 5.581 5.581 5.418 0.163 25443 6945 1 11 . 1 1 84 84 ILE C C 84 174.901 174.901 175.697 -0.796 25443 6946 1 11 . 1 1 84 84 ILE CA C 84 58.803 58.803 58.101 0.702 25443 6947 1 11 . 1 1 84 84 ILE CB C 84 40.306 40.306 39.671 0.635 25443 6948 1 11 . 1 1 84 84 ILE H H 84 8.616 8.616 8.657 -0.041 25443 6949 1 11 . 1 1 85 85 ASP N N 85 125.373 125.373 124.736 0.637 25443 6950 1 11 . 1 1 85 85 ASP HA H 85 4.909 4.909 4.928 -0.019 25443 6951 1 11 . 1 1 85 85 ASP C C 85 174.826 174.826 174.673 0.153 25443 6952 1 11 . 1 1 85 85 ASP CA C 85 52.372 52.372 52.121 0.251 25443 6953 1 11 . 1 1 85 85 ASP CB C 85 45.290 45.290 44.579 0.711 25443 6954 1 11 . 1 1 85 85 ASP H H 85 8.907 8.907 8.563 0.344 25443 6955 1 11 . 1 1 86 86 HIS N N 86 121.396 121.396 123.856 -2.460 25443 6956 1 11 . 1 1 86 86 HIS CA C 86 57.540 57.540 57.631 -0.091 25443 6957 1 11 . 1 1 86 86 HIS CB C 86 30.985 30.985 30.315 0.670 25443 6958 1 11 . 1 1 86 86 HIS H H 86 8.970 8.970 8.835 0.135 25443 6959 1 11 . 1 1 87 87 THR N N 87 116.761 116.761 119.333 -2.572 25443 6960 1 11 . 1 1 87 87 THR HA H 87 4.652 4.652 4.694 -0.042 25443 6961 1 11 . 1 1 87 87 THR C C 87 171.272 171.272 172.315 -1.043 25443 6962 1 11 . 1 1 87 87 THR CA C 87 60.710 60.710 60.606 0.104 25443 6963 1 11 . 1 1 87 87 THR CB C 87 69.764 69.764 70.627 -0.863 25443 6964 1 11 . 1 1 87 87 THR H H 87 8.557 8.557 8.708 -0.151 25443 6965 1 11 . 1 1 88 88 PHE N N 88 120.343 120.343 122.321 -1.978 25443 6966 1 11 . 1 1 88 88 PHE HA H 88 5.273 5.273 5.095 0.178 25443 6967 1 11 . 1 1 88 88 PHE C C 88 174.288 174.288 173.636 0.652 25443 6968 1 11 . 1 1 88 88 PHE CA C 88 55.959 55.959 55.492 0.467 25443 6969 1 11 . 1 1 88 88 PHE CB C 88 41.079 41.079 39.474 1.605 25443 6970 1 11 . 1 1 88 88 PHE H H 88 8.114 8.114 8.087 0.027 25443 6971 1 11 . 1 1 89 89 TYR N N 89 123.043 123.043 126.763 -3.720 25443 6972 1 11 . 1 1 89 89 TYR HA H 89 4.026 4.026 4.163 -0.137 25443 6973 1 11 . 1 1 89 89 TYR C C 89 173.155 173.155 174.353 -1.198 25443 6974 1 11 . 1 1 89 89 TYR CA C 89 57.493 57.493 57.002 0.492 25443 6975 1 11 . 1 1 89 89 TYR CB C 89 39.829 39.829 40.240 -0.411 25443 6976 1 11 . 1 1 89 89 TYR H H 89 8.176 8.176 8.207 -0.031 25443 6977 1 11 . 1 1 90 90 ARG N N 90 129.004 129.004 128.840 0.164 25443 6978 1 11 . 1 1 90 90 ARG HA H 90 4.398 4.398 4.376 0.022 25443 6979 1 11 . 1 1 90 90 ARG CA C 90 51.548 51.548 52.568 -1.020 25443 6980 1 11 . 1 1 90 90 ARG CB C 90 30.882 30.882 30.049 0.833 25443 6981 1 11 . 1 1 90 90 ARG H H 90 7.078 7.078 7.989 -0.911 25443 6982 1 11 . 1 1 91 91 PRO HA H 91 4.155 4.155 3.967 0.188 25443 6983 1 11 . 1 1 91 91 PRO C C 91 176.340 176.340 176.754 -0.414 25443 6984 1 11 . 1 1 91 91 PRO CA C 91 62.454 62.454 62.696 -0.242 25443 6985 1 11 . 1 1 91 91 PRO CB C 91 33.072 33.072 31.914 1.158 25443 6986 1 11 . 1 1 92 92 LYS N N 92 119.682 119.682 124.634 -4.952 25443 6987 1 11 . 1 1 92 92 LYS CA C 92 54.711 54.711 55.142 -0.431 25443 6988 1 11 . 1 1 92 92 LYS H H 92 8.644 8.644 8.248 0.396 25443 6989 1 11 . 1 1 93 93 ARG C C 93 178.899 178.899 177.459 1.440 25443 6990 1 11 . 1 1 93 93 ARG CA C 93 59.125 59.125 58.897 0.228 25443 6991 1 11 . 1 1 94 94 SER N N 94 112.166 112.166 114.988 -2.822 25443 6992 1 11 . 1 1 94 94 SER HA H 94 4.176 4.176 4.328 -0.152 25443 6993 1 11 . 1 1 94 94 SER C C 94 175.776 175.776 175.283 0.493 25443 6994 1 11 . 1 1 94 94 SER CA C 94 60.031 60.031 60.435 -0.404 25443 6995 1 11 . 1 1 94 94 SER CB C 94 62.152 62.152 62.710 -0.558 25443 6996 1 11 . 1 1 94 94 SER H H 94 8.299 8.299 8.279 0.020 25443 6997 1 11 . 1 1 95 95 LEU N N 95 122.179 122.179 120.509 1.670 25443 6998 1 11 . 1 1 95 95 LEU HA H 95 4.651 4.651 4.505 0.146 25443 6999 1 11 . 1 1 95 95 LEU C C 95 175.381 175.381 176.821 -1.440 25443 7000 1 11 . 1 1 95 95 LEU CA C 95 53.934 53.934 52.825 1.109 25443 7001 1 11 . 1 1 95 95 LEU CB C 95 41.861 41.861 39.832 2.029 25443 7002 1 11 . 1 1 95 95 LEU H H 95 7.159 7.159 7.349 -0.190 25443 7003 1 11 . 1 1 96 96 GLN N N 96 118.834 118.834 120.724 -1.890 25443 7004 1 11 . 1 1 96 96 GLN HA H 96 4.030 4.030 4.087 -0.057 25443 7005 1 11 . 1 1 96 96 GLN C C 96 177.751 177.751 177.708 0.043 25443 7006 1 11 . 1 1 96 96 GLN CA C 96 60.705 60.705 59.440 1.265 25443 7007 1 11 . 1 1 96 96 GLN CB C 96 28.822 28.822 28.137 0.685 25443 7008 1 11 . 1 1 96 96 GLN H H 96 7.329 7.329 7.874 -0.545 25443 7009 1 11 . 1 1 97 97 LYS N N 97 116.469 116.469 119.160 -2.691 25443 7010 1 11 . 1 1 97 97 LYS HA H 97 4.060 4.060 4.120 -0.060 25443 7011 1 11 . 1 1 97 97 LYS C C 97 179.164 179.164 178.775 0.389 25443 7012 1 11 . 1 1 97 97 LYS CA C 97 59.430 59.430 58.951 0.479 25443 7013 1 11 . 1 1 97 97 LYS CB C 97 31.511 31.511 31.954 -0.444 25443 7014 1 11 . 1 1 97 97 LYS H H 97 8.614 8.614 8.511 0.103 25443 7015 1 11 . 1 1 98 98 TYR N N 98 124.165 124.165 121.663 2.502 25443 7016 1 11 . 1 1 98 98 TYR HA H 98 4.079 4.079 4.102 -0.023 25443 7017 1 11 . 1 1 98 98 TYR C C 98 177.316 177.316 177.713 -0.397 25443 7018 1 11 . 1 1 98 98 TYR CA C 98 62.205 62.205 61.738 0.467 25443 7019 1 11 . 1 1 98 98 TYR CB C 98 37.162 37.162 38.286 -1.124 25443 7020 1 11 . 1 1 98 98 TYR H H 98 7.585 7.585 7.620 -0.035 25443 7021 1 11 . 1 1 99 99 TYR N N 99 117.955 117.955 118.144 -0.189 25443 7022 1 11 . 1 1 99 99 TYR HA H 99 5.078 5.078 4.249 0.829 25443 7023 1 11 . 1 1 99 99 TYR C C 99 180.957 180.957 178.391 2.566 25443 7024 1 11 . 1 1 99 99 TYR CA C 99 57.741 57.741 60.408 -2.667 25443 7025 1 11 . 1 1 99 99 TYR CB C 99 37.083 37.083 37.645 -0.562 25443 7026 1 11 . 1 1 99 99 TYR H H 99 8.660 8.660 8.537 0.123 25443 7027 1 11 . 1 1 100 100 GLU N N 100 118.796 118.796 120.018 -1.222 25443 7028 1 11 . 1 1 100 100 GLU HA H 100 4.024 4.024 3.839 0.185 25443 7029 1 11 . 1 1 100 100 GLU C C 100 178.571 178.571 178.432 0.139 25443 7030 1 11 . 1 1 100 100 GLU CA C 100 59.400 59.400 59.650 -0.250 25443 7031 1 11 . 1 1 100 100 GLU CB C 100 29.660 29.660 29.677 -0.017 25443 7032 1 11 . 1 1 100 100 GLU H H 100 8.263 8.263 8.234 0.029 25443 7033 1 11 . 1 1 101 101 ALA N N 101 123.346 123.346 122.617 0.729 25443 7034 1 11 . 1 1 101 101 ALA HA H 101 4.244 4.244 4.030 0.214 25443 7035 1 11 . 1 1 101 101 ALA C C 101 181.331 181.331 179.870 1.461 25443 7036 1 11 . 1 1 101 101 ALA CA C 101 54.851 54.851 55.057 -0.206 25443 7037 1 11 . 1 1 101 101 ALA CB C 101 18.559 18.559 18.440 0.119 25443 7038 1 11 . 1 1 101 101 ALA H H 101 7.966 7.966 8.126 -0.160 25443 7039 1 11 . 1 1 102 102 VAL N N 102 120.241 120.241 118.834 1.407 25443 7040 1 11 . 1 1 102 102 VAL HA H 102 3.713 3.713 3.419 0.294 25443 7041 1 11 . 1 1 102 102 VAL C C 102 176.967 176.967 178.060 -1.093 25443 7042 1 11 . 1 1 102 102 VAL CA C 102 67.433 67.433 66.629 0.804 25443 7043 1 11 . 1 1 102 102 VAL CB C 102 31.721 31.721 31.561 0.160 25443 7044 1 11 . 1 1 102 102 VAL H H 102 8.331 8.331 8.188 0.143 25443 7045 1 11 . 1 1 103 103 LYS N N 103 120.001 120.001 119.848 0.153 25443 7046 1 11 . 1 1 103 103 LYS HA H 103 3.859 3.859 4.016 -0.157 25443 7047 1 11 . 1 1 103 103 LYS C C 103 178.500 178.500 178.706 -0.206 25443 7048 1 11 . 1 1 103 103 LYS CA C 103 59.652 59.652 58.953 0.700 25443 7049 1 11 . 1 1 103 103 LYS CB C 103 32.040 32.040 31.937 0.103 25443 7050 1 11 . 1 1 103 103 LYS H H 103 8.201 8.201 8.079 0.122 25443 7051 1 11 . 1 1 104 104 GLU N N 104 116.335 116.335 118.984 -2.649 25443 7052 1 11 . 1 1 104 104 GLU HA H 104 3.928 3.928 3.995 -0.067 25443 7053 1 11 . 1 1 104 104 GLU C C 104 178.645 178.645 178.970 -0.325 25443 7054 1 11 . 1 1 104 104 GLU CA C 104 59.110 59.110 59.485 -0.375 25443 7055 1 11 . 1 1 104 104 GLU CB C 104 29.607 29.607 29.498 0.109 25443 7056 1 11 . 1 1 104 104 GLU H H 104 7.909 7.909 8.507 -0.598 25443 7057 1 11 . 1 1 105 105 GLU N N 105 119.210 119.210 120.302 -1.092 25443 7058 1 11 . 1 1 105 105 GLU HA H 105 3.844 3.844 4.063 -0.219 25443 7059 1 11 . 1 1 105 105 GLU C C 105 178.613 178.613 179.157 -0.544 25443 7060 1 11 . 1 1 105 105 GLU CA C 105 58.162 58.162 58.993 -0.832 25443 7061 1 11 . 1 1 105 105 GLU CB C 105 29.754 29.754 29.266 0.488 25443 7062 1 11 . 1 1 105 105 GLU H H 105 7.257 7.257 8.117 -0.860 25443 7063 1 11 . 1 1 106 106 LEU N N 106 117.408 117.408 119.230 -1.822 25443 7064 1 11 . 1 1 106 106 LEU HA H 106 3.976 3.976 3.999 -0.023 25443 7065 1 11 . 1 1 106 106 LEU C C 106 178.646 178.646 179.059 -0.413 25443 7066 1 11 . 1 1 106 106 LEU CA C 106 56.699 56.699 57.805 -1.106 25443 7067 1 11 . 1 1 106 106 LEU CB C 106 40.455 40.455 41.645 -1.190 25443 7068 1 11 . 1 1 106 106 LEU H H 106 8.169 8.169 7.981 0.188 25443 7069 1 11 . 1 1 107 107 ASP N N 107 119.073 119.073 119.617 -0.544 25443 7070 1 11 . 1 1 107 107 ASP HA H 107 4.521 4.521 4.416 0.105 25443 7071 1 11 . 1 1 107 107 ASP C C 107 177.069 177.069 179.151 -2.082 25443 7072 1 11 . 1 1 107 107 ASP CA C 107 55.099 55.099 57.317 -2.218 25443 7073 1 11 . 1 1 107 107 ASP CB C 107 40.670 40.670 40.126 0.544 25443 7074 1 11 . 1 1 107 107 ASP H H 107 8.003 8.003 8.594 -0.591 25443 7075 1 11 . 1 1 108 108 ARG N N 108 120.705 120.705 117.617 3.088 25443 7076 1 11 . 1 1 108 108 ARG HA H 108 4.067 4.067 4.321 -0.254 25443 7077 1 11 . 1 1 108 108 ARG C C 108 176.990 176.990 177.277 -0.287 25443 7078 1 11 . 1 1 108 108 ARG CA C 108 57.517 57.517 57.036 0.481 25443 7079 1 11 . 1 1 108 108 ARG CB C 108 30.407 30.407 29.905 0.502 25443 7080 1 11 . 1 1 108 108 ARG H H 108 7.603 7.603 7.879 -0.276 25443 7081 1 11 . 1 1 109 109 ASP N N 109 120.246 120.246 119.741 0.505 25443 7082 1 11 . 1 1 109 109 ASP HA H 109 4.521 4.521 4.551 -0.030 25443 7083 1 11 . 1 1 109 109 ASP C C 109 176.630 176.630 177.661 -1.031 25443 7084 1 11 . 1 1 109 109 ASP CA C 109 55.028 55.028 56.375 -1.347 25443 7085 1 11 . 1 1 109 109 ASP CB C 109 40.936 40.936 41.535 -0.599 25443 7086 1 11 . 1 1 109 109 ASP H H 109 8.226 8.226 7.617 0.609 25443 7087 1 11 . 1 1 110 110 ILE N N 110 120.386 120.386 118.764 1.622 25443 7088 1 11 . 1 1 110 110 ILE HA H 110 3.987 3.987 4.001 -0.014 25443 7089 1 11 . 1 1 110 110 ILE C C 110 176.996 176.996 177.601 -0.605 25443 7090 1 11 . 1 1 110 110 ILE CA C 110 62.241 62.241 63.726 -1.485 25443 7091 1 11 . 1 1 110 110 ILE CB C 110 38.359 38.359 38.682 -0.323 25443 7092 1 11 . 1 1 110 110 ILE H H 110 7.863 7.863 8.016 -0.153 25443 7093 1 11 . 1 1 111 111 VAL N N 111 122.548 122.548 116.051 6.497 25443 7094 1 11 . 1 1 111 111 VAL HA H 111 3.946 3.946 3.386 0.560 25443 7095 1 11 . 1 1 111 111 VAL C C 111 176.938 176.938 177.101 -0.163 25443 7096 1 11 . 1 1 111 111 VAL CA C 111 63.499 63.499 64.790 -1.292 25443 7097 1 11 . 1 1 111 111 VAL CB C 111 32.223 32.223 30.427 1.796 25443 7098 1 11 . 1 1 111 111 VAL H H 111 8.016 8.016 8.059 -0.043 25443 7099 1 11 . 1 1 112 112 SER N N 112 117.984 117.984 112.761 5.223 25443 7100 1 11 . 1 1 112 112 SER HA H 112 4.317 4.317 4.066 0.251 25443 7101 1 11 . 1 1 112 112 SER C C 112 175.154 175.154 173.796 1.358 25443 7102 1 11 . 1 1 112 112 SER CA C 112 59.025 59.025 60.792 -1.767 25443 7103 1 11 . 1 1 112 112 SER CB C 112 63.419 63.419 62.415 1.004 25443 7104 1 11 . 1 1 112 112 SER H H 112 8.187 8.187 8.536 -0.349 25443 7105 1 11 . 1 1 113 113 LYS N N 113 122.727 122.727 122.247 0.480 25443 7106 1 11 . 1 1 113 113 LYS HA H 113 4.209 4.209 4.469 -0.260 25443 7107 1 11 . 1 1 113 113 LYS C C 113 176.713 176.713 175.464 1.249 25443 7108 1 11 . 1 1 113 113 LYS CA C 113 56.844 56.844 55.750 1.094 25443 7109 1 11 . 1 1 113 113 LYS CB C 113 32.794 32.794 33.009 -0.215 25443 7110 1 11 . 1 1 113 113 LYS H H 113 8.152 8.152 8.216 -0.064 25443 7111 1 11 . 1 1 114 114 ASN N N 114 118.886 118.886 123.265 -4.379 25443 7112 1 11 . 1 1 114 114 ASN C C 114 175.227 175.227 174.958 0.269 25443 7113 1 11 . 1 1 114 114 ASN CA C 114 53.549 53.549 53.960 -0.411 25443 7114 1 11 . 1 1 114 114 ASN H H 114 8.261 8.261 8.887 -0.626 25443 7115 1 11 . 1 1 115 115 ASN N N 115 119.345 119.345 117.880 1.465 25443 7116 1 11 . 1 1 115 115 ASN C C 115 174.896 174.896 173.652 1.244 25443 7117 1 11 . 1 1 115 115 ASN CA C 115 53.476 53.476 53.751 -0.275 25443 7118 1 11 . 1 1 115 115 ASN H H 115 8.257 8.257 8.446 -0.189 25443 7119 1 11 . 1 1 116 116 ALA N N 116 123.669 123.669 124.250 -0.581 25443 7120 1 11 . 1 1 116 116 ALA HA H 116 4.254 4.254 4.564 -0.310 25443 7121 1 11 . 1 1 116 116 ALA C C 116 177.567 177.567 177.225 0.342 25443 7122 1 11 . 1 1 116 116 ALA CA C 116 52.678 52.678 51.925 0.753 25443 7123 1 11 . 1 1 116 116 ALA CB C 116 19.243 19.243 18.782 0.461 25443 7124 1 11 . 1 1 116 116 ALA H H 116 8.094 8.094 8.335 -0.241 25443 7125 1 11 . 1 1 117 117 GLU N N 117 120.083 120.083 119.953 0.130 25443 7126 1 11 . 1 1 117 117 GLU C C 117 175.564 175.564 176.050 -0.486 25443 7127 1 11 . 1 1 117 117 GLU CA C 117 56.602 56.602 56.184 0.417 25443 7128 1 11 . 1 1 117 117 GLU H H 117 8.221 8.221 8.956 -0.735 25443 7129 1 12 . 1 1 2 2 ALA HA H 2 4.286 4.286 4.371 -0.085 25443 7130 1 12 . 1 1 2 2 ALA C C 2 177.853 177.853 177.704 0.149 25443 7131 1 12 . 1 1 2 2 ALA CA C 2 52.661 52.661 52.210 0.451 25443 7132 1 12 . 1 1 2 2 ALA CB C 2 19.308 19.308 19.386 -0.078 25443 7133 1 12 . 1 1 3 3 MET N N 3 119.404 119.404 120.318 -0.914 25443 7134 1 12 . 1 1 3 3 MET HA H 3 4.435 4.435 4.535 -0.100 25443 7135 1 12 . 1 1 3 3 MET C C 3 176.731 176.731 177.349 -0.618 25443 7136 1 12 . 1 1 3 3 MET CA C 3 55.503 55.503 55.248 0.255 25443 7137 1 12 . 1 1 3 3 MET CB C 3 32.795 32.795 32.499 0.296 25443 7138 1 12 . 1 1 3 3 MET H H 3 8.530 8.530 8.920 -0.390 25443 7139 1 12 . 1 1 4 4 GLY N N 4 109.968 109.968 107.129 2.839 25443 7140 1 12 . 1 1 4 4 GLY C C 4 174.057 174.057 175.527 -1.470 25443 7141 1 12 . 1 1 4 4 GLY CA C 4 45.363 45.363 45.400 -0.037 25443 7142 1 12 . 1 1 4 4 GLY H H 4 8.414 8.414 8.364 0.050 25443 7143 1 12 . 1 1 5 5 ASN N N 5 118.659 118.659 118.461 0.198 25443 7144 1 12 . 1 1 5 5 ASN HA H 5 4.606 4.606 4.576 0.030 25443 7145 1 12 . 1 1 5 5 ASN C C 5 175.443 175.443 176.488 -1.045 25443 7146 1 12 . 1 1 5 5 ASN CA C 5 53.530 53.530 54.053 -0.523 25443 7147 1 12 . 1 1 5 5 ASN CB C 5 38.876 38.876 37.728 1.148 25443 7148 1 12 . 1 1 5 5 ASN H H 5 8.326 8.326 8.675 -0.349 25443 7149 1 12 . 1 1 6 6 GLU N N 6 120.909 120.909 119.474 1.435 25443 7150 1 12 . 1 1 6 6 GLU HA H 6 4.097 4.097 4.059 0.038 25443 7151 1 12 . 1 1 6 6 GLU C C 6 176.261 176.261 177.018 -0.757 25443 7152 1 12 . 1 1 6 6 GLU CA C 6 57.171 57.171 57.742 -0.571 25443 7153 1 12 . 1 1 6 6 GLU CB C 6 29.715 29.715 29.434 0.281 25443 7154 1 12 . 1 1 6 6 GLU H H 6 8.633 8.633 8.296 0.337 25443 7155 1 12 . 1 1 7 7 TYR N N 7 120.283 120.283 119.845 0.438 25443 7156 1 12 . 1 1 7 7 TYR HA H 7 4.440 4.440 4.641 -0.201 25443 7157 1 12 . 1 1 7 7 TYR C C 7 175.789 175.789 175.965 -0.176 25443 7158 1 12 . 1 1 7 7 TYR CA C 7 58.061 58.061 57.520 0.541 25443 7159 1 12 . 1 1 7 7 TYR CB C 7 38.193 38.193 36.499 1.694 25443 7160 1 12 . 1 1 7 7 TYR H H 7 8.069 8.069 7.548 0.521 25443 7161 1 12 . 1 1 8 8 LYS N N 8 121.780 121.780 122.322 -0.542 25443 7162 1 12 . 1 1 8 8 LYS HA H 8 4.107 4.107 4.263 -0.156 25443 7163 1 12 . 1 1 8 8 LYS C C 8 175.970 175.970 176.719 -0.749 25443 7164 1 12 . 1 1 8 8 LYS CA C 8 56.550 56.550 56.258 0.292 25443 7165 1 12 . 1 1 8 8 LYS CB C 8 33.141 33.141 32.380 0.761 25443 7166 1 12 . 1 1 8 8 LYS H H 8 7.868 7.868 7.843 0.025 25443 7167 1 12 . 1 1 9 9 ASP N N 9 119.825 119.825 115.784 4.041 25443 7168 1 12 . 1 1 9 9 ASP HA H 9 4.577 4.577 4.540 0.037 25443 7169 1 12 . 1 1 9 9 ASP C C 9 175.979 175.979 175.672 0.307 25443 7170 1 12 . 1 1 9 9 ASP CA C 9 54.608 54.608 54.295 0.313 25443 7171 1 12 . 1 1 9 9 ASP CB C 9 41.455 41.455 40.171 1.284 25443 7172 1 12 . 1 1 9 9 ASP H H 9 8.164 8.164 8.732 -0.568 25443 7173 1 12 . 1 1 10 10 ASN N N 10 119.410 119.410 117.098 2.312 25443 7174 1 12 . 1 1 10 10 ASN HA H 10 4.935 4.935 4.244 0.691 25443 7175 1 12 . 1 1 10 10 ASN C C 10 174.654 174.654 174.932 -0.278 25443 7176 1 12 . 1 1 10 10 ASN CA C 10 52.792 52.792 53.069 -0.277 25443 7177 1 12 . 1 1 10 10 ASN CB C 10 38.554 38.554 38.364 0.190 25443 7178 1 12 . 1 1 10 10 ASN H H 10 8.284 8.284 7.585 0.699 25443 7179 1 12 . 1 1 11 11 ALA N N 11 122.716 122.716 123.464 -0.748 25443 7180 1 12 . 1 1 11 11 ALA HA H 11 4.521 4.521 4.308 0.213 25443 7181 1 12 . 1 1 11 11 ALA CA C 11 53.148 53.148 52.350 0.798 25443 7182 1 12 . 1 1 11 11 ALA CB C 11 19.223 19.223 18.234 0.989 25443 7183 1 12 . 1 1 11 11 ALA H H 11 8.260 8.260 7.350 0.910 25443 7184 1 12 . 1 1 12 12 TYR HA H 12 4.943 4.943 5.264 -0.321 25443 7185 1 12 . 1 1 12 12 TYR C C 12 177.075 177.075 174.537 2.538 25443 7186 1 12 . 1 1 12 12 TYR CA C 12 57.314 57.314 56.957 0.357 25443 7187 1 12 . 1 1 12 12 TYR CB C 12 42.614 42.614 43.203 -0.589 25443 7188 1 12 . 1 1 13 13 ILE N N 13 114.211 114.211 117.615 -3.404 25443 7189 1 12 . 1 1 13 13 ILE HA H 13 4.981 4.981 5.064 -0.083 25443 7190 1 12 . 1 1 13 13 ILE C C 13 174.500 174.500 174.033 0.467 25443 7191 1 12 . 1 1 13 13 ILE CA C 13 60.380 60.380 59.223 1.157 25443 7192 1 12 . 1 1 13 13 ILE CB C 13 39.792 39.792 41.426 -1.634 25443 7193 1 12 . 1 1 13 13 ILE H H 13 9.358 9.358 8.851 0.507 25443 7194 1 12 . 1 1 14 14 TYR N N 14 124.891 124.891 127.777 -2.886 25443 7195 1 12 . 1 1 14 14 TYR HA H 14 4.579 4.579 4.809 -0.230 25443 7196 1 12 . 1 1 14 14 TYR C C 14 173.192 173.192 173.936 -0.744 25443 7197 1 12 . 1 1 14 14 TYR CA C 14 56.202 56.202 57.436 -1.234 25443 7198 1 12 . 1 1 14 14 TYR CB C 14 40.163 40.163 40.056 0.107 25443 7199 1 12 . 1 1 14 14 TYR H H 14 9.163 9.163 9.073 0.090 25443 7200 1 12 . 1 1 15 15 ILE N N 15 127.801 127.801 126.470 1.331 25443 7201 1 12 . 1 1 15 15 ILE HA H 15 4.210 4.210 5.054 -0.844 25443 7202 1 12 . 1 1 15 15 ILE C C 15 173.823 173.823 175.721 -1.898 25443 7203 1 12 . 1 1 15 15 ILE CA C 15 59.616 59.616 58.994 0.622 25443 7204 1 12 . 1 1 15 15 ILE CB C 15 39.735 39.735 40.900 -1.165 25443 7205 1 12 . 1 1 15 15 ILE H H 15 8.569 8.569 8.470 0.099 25443 7206 1 12 . 1 1 16 16 GLY N N 16 112.441 112.441 112.179 0.262 25443 7207 1 12 . 1 1 16 16 GLY C C 16 173.159 173.159 174.054 -0.895 25443 7208 1 12 . 1 1 16 16 GLY CA C 16 43.244 43.244 43.040 0.204 25443 7209 1 12 . 1 1 16 16 GLY H H 16 9.354 9.354 8.366 0.988 25443 7210 1 12 . 1 1 17 17 ASN N N 17 114.797 114.797 120.026 -5.229 25443 7211 1 12 . 1 1 17 17 ASN HA H 17 4.347 4.347 4.710 -0.363 25443 7212 1 12 . 1 1 17 17 ASN C C 17 174.834 174.834 175.658 -0.824 25443 7213 1 12 . 1 1 17 17 ASN CA C 17 53.214 53.214 53.710 -0.496 25443 7214 1 12 . 1 1 17 17 ASN CB C 17 37.826 37.826 37.797 0.029 25443 7215 1 12 . 1 1 17 17 ASN H H 17 8.552 8.552 8.616 -0.064 25443 7216 1 12 . 1 1 18 18 LEU N N 18 114.526 114.526 126.171 -11.645 25443 7217 1 12 . 1 1 18 18 LEU HA H 18 3.994 3.994 4.498 -0.504 25443 7218 1 12 . 1 1 18 18 LEU C C 18 177.948 177.948 175.806 2.142 25443 7219 1 12 . 1 1 18 18 LEU CA C 18 53.772 53.772 53.864 -0.092 25443 7220 1 12 . 1 1 18 18 LEU CB C 18 42.385 42.385 43.461 -1.075 25443 7221 1 12 . 1 1 18 18 LEU H H 18 7.743 7.743 8.560 -0.817 25443 7222 1 12 . 1 1 19 19 ASN N N 19 122.718 122.718 116.911 5.807 25443 7223 1 12 . 1 1 19 19 ASN HA H 19 4.302 4.302 4.644 -0.342 25443 7224 1 12 . 1 1 19 19 ASN C C 19 178.040 178.040 176.969 1.071 25443 7225 1 12 . 1 1 19 19 ASN CA C 19 54.421 54.421 52.939 1.482 25443 7226 1 12 . 1 1 19 19 ASN CB C 19 38.580 38.580 39.200 -0.620 25443 7227 1 12 . 1 1 19 19 ASN H H 19 8.758 8.758 8.577 0.181 25443 7228 1 12 . 1 1 20 20 ARG N N 20 128.821 128.821 126.017 2.804 25443 7229 1 12 . 1 1 20 20 ARG HA H 20 3.790 3.790 4.153 -0.363 25443 7230 1 12 . 1 1 20 20 ARG C C 20 175.566 175.566 176.443 -0.877 25443 7231 1 12 . 1 1 20 20 ARG CA C 20 58.775 58.775 58.133 0.642 25443 7232 1 12 . 1 1 20 20 ARG CB C 20 29.642 29.642 29.794 -0.152 25443 7233 1 12 . 1 1 20 20 ARG H H 20 8.997 8.997 8.834 0.163 25443 7234 1 12 . 1 1 21 21 GLU N N 21 117.438 117.438 117.928 -0.490 25443 7235 1 12 . 1 1 21 21 GLU HA H 21 4.214 4.214 4.256 -0.042 25443 7236 1 12 . 1 1 21 21 GLU C C 21 177.076 177.076 176.349 0.727 25443 7237 1 12 . 1 1 21 21 GLU CA C 21 56.677 56.677 56.362 0.315 25443 7238 1 12 . 1 1 21 21 GLU CB C 21 30.451 30.451 29.603 0.848 25443 7239 1 12 . 1 1 21 21 GLU H H 21 9.043 9.043 8.203 0.840 25443 7240 1 12 . 1 1 22 22 LEU N N 22 116.311 116.311 122.000 -5.689 25443 7241 1 12 . 1 1 22 22 LEU HA H 22 4.491 4.491 4.190 0.301 25443 7242 1 12 . 1 1 22 22 LEU C C 22 178.389 178.389 176.856 1.533 25443 7243 1 12 . 1 1 22 22 LEU CA C 22 55.496 55.496 55.724 -0.228 25443 7244 1 12 . 1 1 22 22 LEU CB C 22 42.148 42.148 42.426 -0.278 25443 7245 1 12 . 1 1 22 22 LEU H H 22 7.183 7.183 7.656 -0.473 25443 7246 1 12 . 1 1 23 23 THR N N 23 113.850 113.850 114.480 -0.630 25443 7247 1 12 . 1 1 23 23 THR HA H 23 4.289 4.289 4.615 -0.326 25443 7248 1 12 . 1 1 23 23 THR C C 23 175.229 175.229 175.288 -0.059 25443 7249 1 12 . 1 1 23 23 THR CA C 23 59.895 59.895 59.639 0.256 25443 7250 1 12 . 1 1 23 23 THR CB C 23 71.989 71.989 71.302 0.687 25443 7251 1 12 . 1 1 23 23 THR H H 23 8.743 8.743 8.706 0.037 25443 7252 1 12 . 1 1 24 24 GLU N N 24 119.724 119.724 120.354 -0.630 25443 7253 1 12 . 1 1 24 24 GLU HA H 24 3.591 3.591 4.146 -0.555 25443 7254 1 12 . 1 1 24 24 GLU C C 24 178.597 178.597 178.732 -0.135 25443 7255 1 12 . 1 1 24 24 GLU CA C 24 63.490 63.490 59.884 3.606 25443 7256 1 12 . 1 1 24 24 GLU CB C 24 27.433 27.433 29.072 -1.639 25443 7257 1 12 . 1 1 24 24 GLU H H 24 9.641 9.641 8.983 0.658 25443 7258 1 12 . 1 1 25 25 GLY N N 25 104.430 104.430 108.126 -3.696 25443 7259 1 12 . 1 1 25 25 GLY C C 25 175.425 175.425 175.971 -0.546 25443 7260 1 12 . 1 1 25 25 GLY CA C 25 47.334 47.334 46.831 0.503 25443 7261 1 12 . 1 1 25 25 GLY H H 25 8.423 8.423 7.848 0.575 25443 7262 1 12 . 1 1 26 26 ASP N N 26 123.128 123.128 123.786 -0.658 25443 7263 1 12 . 1 1 26 26 ASP HA H 26 4.530 4.530 4.399 0.131 25443 7264 1 12 . 1 1 26 26 ASP C C 26 177.878 177.878 178.644 -0.766 25443 7265 1 12 . 1 1 26 26 ASP CA C 26 57.429 57.429 57.956 -0.527 25443 7266 1 12 . 1 1 26 26 ASP CB C 26 41.612 41.612 40.840 0.772 25443 7267 1 12 . 1 1 26 26 ASP H H 26 7.859 7.859 7.577 0.282 25443 7268 1 12 . 1 1 27 27 ILE N N 27 118.864 118.864 120.405 -1.541 25443 7269 1 12 . 1 1 27 27 ILE HA H 27 3.534 3.534 3.789 -0.255 25443 7270 1 12 . 1 1 27 27 ILE C C 27 178.225 178.225 178.283 -0.058 25443 7271 1 12 . 1 1 27 27 ILE CA C 27 65.627 65.627 65.175 0.452 25443 7272 1 12 . 1 1 27 27 ILE CB C 27 37.614 37.614 38.022 -0.408 25443 7273 1 12 . 1 1 27 27 ILE H H 27 8.055 8.055 7.722 0.333 25443 7274 1 12 . 1 1 28 28 LEU N N 28 119.416 119.416 120.355 -0.939 25443 7275 1 12 . 1 1 28 28 LEU HA H 28 3.861 3.861 4.023 -0.162 25443 7276 1 12 . 1 1 28 28 LEU C C 28 179.884 179.884 179.413 0.471 25443 7277 1 12 . 1 1 28 28 LEU CA C 28 58.758 58.758 58.278 0.480 25443 7278 1 12 . 1 1 28 28 LEU CB C 28 41.137 41.137 41.422 -0.285 25443 7279 1 12 . 1 1 28 28 LEU H H 28 8.423 8.423 8.448 -0.025 25443 7280 1 12 . 1 1 29 29 THR N N 29 119.586 119.586 115.948 3.638 25443 7281 1 12 . 1 1 29 29 THR HA H 29 3.790 3.790 3.876 -0.086 25443 7282 1 12 . 1 1 29 29 THR C C 29 176.530 176.530 176.837 -0.307 25443 7283 1 12 . 1 1 29 29 THR CA C 29 67.322 67.322 66.816 0.506 25443 7284 1 12 . 1 1 29 29 THR CB C 29 68.372 68.372 68.736 -0.364 25443 7285 1 12 . 1 1 29 29 THR H H 29 8.552 8.552 8.034 0.518 25443 7286 1 12 . 1 1 30 30 VAL N N 30 119.948 119.948 120.273 -0.325 25443 7287 1 12 . 1 1 30 30 VAL HA H 30 3.601 3.601 3.596 0.005 25443 7288 1 12 . 1 1 30 30 VAL C C 30 178.670 178.670 177.991 0.679 25443 7289 1 12 . 1 1 30 30 VAL CA C 30 66.081 66.081 65.514 0.566 25443 7290 1 12 . 1 1 30 30 VAL CB C 30 32.993 32.993 31.175 1.818 25443 7291 1 12 . 1 1 30 30 VAL H H 30 7.959 7.959 7.506 0.453 25443 7292 1 12 . 1 1 31 31 PHE N N 31 113.636 113.636 117.886 -4.250 25443 7293 1 12 . 1 1 31 31 PHE HA H 31 4.006 4.006 4.341 -0.335 25443 7294 1 12 . 1 1 31 31 PHE C C 31 180.133 180.133 178.111 2.022 25443 7295 1 12 . 1 1 31 31 PHE CA C 31 62.266 62.266 60.592 1.674 25443 7296 1 12 . 1 1 31 31 PHE CB C 31 37.711 37.711 38.782 -1.071 25443 7297 1 12 . 1 1 31 31 PHE H H 31 8.726 8.726 7.962 0.764 25443 7298 1 12 . 1 1 32 32 SER N N 32 119.746 119.746 115.864 3.882 25443 7299 1 12 . 1 1 32 32 SER HA H 32 5.107 5.107 4.213 0.894 25443 7300 1 12 . 1 1 32 32 SER C C 32 173.450 173.450 176.294 -2.844 25443 7301 1 12 . 1 1 32 32 SER CA C 32 61.440 61.440 61.534 -0.094 25443 7302 1 12 . 1 1 32 32 SER CB C 32 62.690 62.690 62.455 0.235 25443 7303 1 12 . 1 1 32 32 SER H H 32 8.564 8.564 8.672 -0.108 25443 7304 1 12 . 1 1 33 33 GLU N N 33 118.689 118.689 120.912 -2.223 25443 7305 1 12 . 1 1 33 33 GLU HA H 33 3.854 3.854 4.017 -0.163 25443 7306 1 12 . 1 1 33 33 GLU C C 33 176.471 176.471 177.454 -0.983 25443 7307 1 12 . 1 1 33 33 GLU CA C 33 57.997 57.997 58.019 -0.022 25443 7308 1 12 . 1 1 33 33 GLU CB C 33 29.503 29.503 28.959 0.544 25443 7309 1 12 . 1 1 33 33 GLU H H 33 6.733 6.733 7.659 -0.926 25443 7310 1 12 . 1 1 34 34 TYR N N 34 111.313 111.313 118.069 -6.756 25443 7311 1 12 . 1 1 34 34 TYR HA H 34 4.469 4.469 4.449 0.020 25443 7312 1 12 . 1 1 34 34 TYR C C 34 174.351 174.351 176.671 -2.320 25443 7313 1 12 . 1 1 34 34 TYR CA C 34 57.940 57.940 57.803 0.137 25443 7314 1 12 . 1 1 34 34 TYR CB C 34 39.557 39.557 38.250 1.307 25443 7315 1 12 . 1 1 34 34 TYR H H 34 6.662 6.662 7.545 -0.883 25443 7316 1 12 . 1 1 35 35 GLY N N 35 106.055 106.055 106.263 -0.208 25443 7317 1 12 . 1 1 35 35 GLY C C 35 170.709 170.709 173.708 -2.999 25443 7318 1 12 . 1 1 35 35 GLY CA C 35 45.230 45.230 45.193 0.037 25443 7319 1 12 . 1 1 35 35 GLY H H 35 7.302 7.302 8.054 -0.752 25443 7320 1 12 . 1 1 36 36 VAL N N 36 121.596 121.596 121.133 0.463 25443 7321 1 12 . 1 1 36 36 VAL HA H 36 4.492 4.492 4.552 -0.060 25443 7322 1 12 . 1 1 36 36 VAL CA C 36 59.912 59.912 58.807 1.105 25443 7323 1 12 . 1 1 36 36 VAL CB C 36 33.632 33.632 33.797 -0.165 25443 7324 1 12 . 1 1 36 36 VAL H H 36 8.595 8.595 7.806 0.789 25443 7325 1 12 . 1 1 37 37 PRO HA H 37 4.499 4.499 4.657 -0.158 25443 7326 1 12 . 1 1 37 37 PRO C C 37 176.150 176.150 175.652 0.498 25443 7327 1 12 . 1 1 37 37 PRO CA C 37 62.320 62.320 62.532 -0.212 25443 7328 1 12 . 1 1 37 37 PRO CB C 37 31.945 31.945 31.737 0.208 25443 7329 1 12 . 1 1 38 38 VAL N N 38 114.135 114.135 123.721 -9.586 25443 7330 1 12 . 1 1 38 38 VAL HA H 38 4.436 4.436 4.316 0.120 25443 7331 1 12 . 1 1 38 38 VAL C C 38 175.124 175.124 175.263 -0.139 25443 7332 1 12 . 1 1 38 38 VAL CA C 38 60.488 60.488 60.081 0.407 25443 7333 1 12 . 1 1 38 38 VAL CB C 38 32.560 32.560 34.070 -1.510 25443 7334 1 12 . 1 1 38 38 VAL H H 38 9.006 9.006 8.148 0.858 25443 7335 1 12 . 1 1 39 39 ASP N N 39 118.095 118.095 120.232 -2.137 25443 7336 1 12 . 1 1 39 39 ASP HA H 39 4.626 4.626 4.751 -0.125 25443 7337 1 12 . 1 1 39 39 ASP C C 39 174.577 174.577 175.070 -0.493 25443 7338 1 12 . 1 1 39 39 ASP CA C 39 54.706 54.706 54.730 -0.024 25443 7339 1 12 . 1 1 39 39 ASP CB C 39 43.495 43.495 42.265 1.230 25443 7340 1 12 . 1 1 39 39 ASP H H 39 7.454 7.454 8.022 -0.568 25443 7341 1 12 . 1 1 40 40 VAL N N 40 121.566 121.566 120.128 1.438 25443 7342 1 12 . 1 1 40 40 VAL HA H 40 4.897 4.897 4.623 0.274 25443 7343 1 12 . 1 1 40 40 VAL C C 40 170.928 170.928 174.319 -3.391 25443 7344 1 12 . 1 1 40 40 VAL CA C 40 60.729 60.729 60.243 0.485 25443 7345 1 12 . 1 1 40 40 VAL CB C 40 34.373 34.373 34.855 -0.482 25443 7346 1 12 . 1 1 40 40 VAL H H 40 7.576 7.576 8.369 -0.793 25443 7347 1 12 . 1 1 41 41 ILE N N 41 125.247 125.247 128.172 -2.925 25443 7348 1 12 . 1 1 41 41 ILE HA H 41 4.752 4.752 4.536 0.216 25443 7349 1 12 . 1 1 41 41 ILE C C 41 175.440 175.440 174.331 1.109 25443 7350 1 12 . 1 1 41 41 ILE CA C 41 61.609 61.609 60.379 1.230 25443 7351 1 12 . 1 1 41 41 ILE H H 41 8.929 8.929 9.259 -0.330 25443 7352 1 12 . 1 1 42 42 LEU N N 42 128.791 128.791 129.358 -0.567 25443 7353 1 12 . 1 1 42 42 LEU HA H 42 4.387 4.387 4.504 -0.117 25443 7354 1 12 . 1 1 42 42 LEU C C 42 174.979 174.979 175.569 -0.590 25443 7355 1 12 . 1 1 42 42 LEU CA C 42 53.345 53.345 54.135 -0.790 25443 7356 1 12 . 1 1 42 42 LEU CB C 42 43.298 43.298 43.802 -0.504 25443 7357 1 12 . 1 1 42 42 LEU H H 42 8.309 8.309 8.775 -0.466 25443 7358 1 12 . 1 1 43 43 SER N N 43 122.753 122.753 122.540 0.213 25443 7359 1 12 . 1 1 43 43 SER HA H 43 3.821 3.821 4.217 -0.396 25443 7360 1 12 . 1 1 43 43 SER C C 43 173.870 173.870 173.191 0.679 25443 7361 1 12 . 1 1 43 43 SER CA C 43 59.707 59.707 58.943 0.764 25443 7362 1 12 . 1 1 43 43 SER CB C 43 62.714 62.714 62.623 0.091 25443 7363 1 12 . 1 1 43 43 SER H H 43 8.317 8.317 8.148 0.169 25443 7364 1 12 . 1 1 44 44 ARG N N 44 128.068 128.068 124.365 3.703 25443 7365 1 12 . 1 1 44 44 ARG HA H 44 4.763 4.763 4.942 -0.179 25443 7366 1 12 . 1 1 44 44 ARG C C 44 175.094 175.094 175.326 -0.232 25443 7367 1 12 . 1 1 44 44 ARG CA C 44 54.100 54.100 54.592 -0.492 25443 7368 1 12 . 1 1 44 44 ARG CB C 44 34.218 34.218 34.456 -0.238 25443 7369 1 12 . 1 1 44 44 ARG H H 44 8.152 8.152 8.271 -0.119 25443 7370 1 12 . 1 1 45 45 ASP N N 45 123.595 123.595 120.329 3.266 25443 7371 1 12 . 1 1 45 45 ASP HA H 45 4.172 4.172 4.735 -0.563 25443 7372 1 12 . 1 1 45 45 ASP C C 45 177.467 177.467 176.927 0.540 25443 7373 1 12 . 1 1 45 45 ASP CA C 45 54.898 54.898 53.408 1.490 25443 7374 1 12 . 1 1 45 45 ASP CB C 45 43.568 43.568 43.318 0.251 25443 7375 1 12 . 1 1 45 45 ASP H H 45 8.628 8.628 8.866 -0.238 25443 7376 1 12 . 1 1 46 46 GLU N N 46 125.161 125.161 123.472 1.689 25443 7377 1 12 . 1 1 46 46 GLU HA H 46 3.843 3.843 4.186 -0.343 25443 7378 1 12 . 1 1 46 46 GLU C C 46 175.690 175.690 177.052 -1.362 25443 7379 1 12 . 1 1 46 46 GLU CA C 46 58.861 58.861 58.964 -0.103 25443 7380 1 12 . 1 1 46 46 GLU CB C 46 29.636 29.636 29.809 -0.173 25443 7381 1 12 . 1 1 46 46 GLU H H 46 9.013 9.013 8.931 0.082 25443 7382 1 12 . 1 1 47 47 ASN N N 47 115.135 115.135 116.735 -1.600 25443 7383 1 12 . 1 1 47 47 ASN HA H 47 4.842 4.842 4.749 0.093 25443 7384 1 12 . 1 1 47 47 ASN C C 47 176.655 176.655 177.188 -0.533 25443 7385 1 12 . 1 1 47 47 ASN CA C 47 54.897 54.897 54.820 0.077 25443 7386 1 12 . 1 1 47 47 ASN CB C 47 40.141 40.141 39.303 0.838 25443 7387 1 12 . 1 1 47 47 ASN H H 47 8.926 8.926 8.661 0.265 25443 7388 1 12 . 1 1 48 48 THR N N 48 107.544 107.544 112.353 -4.809 25443 7389 1 12 . 1 1 48 48 THR HA H 48 4.400 4.400 4.393 0.007 25443 7390 1 12 . 1 1 48 48 THR C C 48 176.484 176.484 175.828 0.656 25443 7391 1 12 . 1 1 48 48 THR CA C 48 61.513 61.513 62.910 -1.397 25443 7392 1 12 . 1 1 48 48 THR CB C 48 71.189 71.189 69.564 1.625 25443 7393 1 12 . 1 1 48 48 THR H H 48 8.455 8.455 8.287 0.168 25443 7394 1 12 . 1 1 49 49 GLY N N 49 111.753 111.753 109.316 2.437 25443 7395 1 12 . 1 1 49 49 GLY C C 49 173.167 173.167 173.451 -0.284 25443 7396 1 12 . 1 1 49 49 GLY CA C 49 45.628 45.628 45.331 0.297 25443 7397 1 12 . 1 1 49 49 GLY H H 49 8.607 8.607 7.808 0.799 25443 7398 1 12 . 1 1 50 50 GLU N N 50 119.978 119.978 119.654 0.324 25443 7399 1 12 . 1 1 50 50 GLU HA H 50 4.071 4.071 4.353 -0.282 25443 7400 1 12 . 1 1 50 50 GLU C C 50 176.629 176.629 176.277 0.352 25443 7401 1 12 . 1 1 50 50 GLU CA C 50 56.500 56.500 55.082 1.418 25443 7402 1 12 . 1 1 50 50 GLU CB C 50 30.927 30.927 30.810 0.117 25443 7403 1 12 . 1 1 50 50 GLU H H 50 7.796 7.796 7.844 -0.048 25443 7404 1 12 . 1 1 51 51 SER N N 51 115.672 115.672 115.084 0.588 25443 7405 1 12 . 1 1 51 51 SER HA H 51 4.205 4.205 4.413 -0.208 25443 7406 1 12 . 1 1 51 51 SER C C 51 176.532 176.532 175.355 1.177 25443 7407 1 12 . 1 1 51 51 SER CA C 51 58.320 58.320 59.287 -0.967 25443 7408 1 12 . 1 1 51 51 SER CB C 51 64.596 64.596 63.656 0.940 25443 7409 1 12 . 1 1 51 51 SER H H 51 8.889 8.889 8.851 0.038 25443 7410 1 12 . 1 1 52 52 GLN N N 52 123.139 123.139 123.803 -0.664 25443 7411 1 12 . 1 1 52 52 GLN HA H 52 4.421 4.421 4.396 0.025 25443 7412 1 12 . 1 1 52 52 GLN C C 52 177.396 177.396 176.653 0.743 25443 7413 1 12 . 1 1 52 52 GLN CA C 52 55.051 55.051 56.627 -1.576 25443 7414 1 12 . 1 1 52 52 GLN CB C 52 29.874 29.874 29.346 0.528 25443 7415 1 12 . 1 1 52 52 GLN H H 52 9.078 9.078 8.892 0.186 25443 7416 1 12 . 1 1 53 53 GLY N N 53 105.904 105.904 107.096 -1.192 25443 7417 1 12 . 1 1 53 53 GLY C C 53 172.046 172.046 173.302 -1.256 25443 7418 1 12 . 1 1 53 53 GLY CA C 53 46.550 46.550 45.236 1.314 25443 7419 1 12 . 1 1 53 53 GLY H H 53 8.851 8.851 8.355 0.496 25443 7420 1 12 . 1 1 54 54 PHE N N 54 111.888 111.888 118.096 -6.208 25443 7421 1 12 . 1 1 54 54 PHE HA H 54 5.253 5.253 5.473 -0.220 25443 7422 1 12 . 1 1 54 54 PHE C C 54 171.570 171.570 173.287 -1.717 25443 7423 1 12 . 1 1 54 54 PHE CA C 54 55.592 55.592 53.515 2.077 25443 7424 1 12 . 1 1 54 54 PHE CB C 54 40.806 40.806 40.782 0.024 25443 7425 1 12 . 1 1 54 54 PHE H H 54 6.827 6.827 7.442 -0.615 25443 7426 1 12 . 1 1 55 55 ALA N N 55 121.888 121.888 120.061 1.827 25443 7427 1 12 . 1 1 55 55 ALA HA H 55 5.032 5.032 4.599 0.433 25443 7428 1 12 . 1 1 55 55 ALA C C 55 172.957 172.957 174.473 -1.516 25443 7429 1 12 . 1 1 55 55 ALA CA C 55 49.477 49.477 50.824 -1.347 25443 7430 1 12 . 1 1 55 55 ALA H H 55 8.927 8.927 8.174 0.753 25443 7431 1 12 . 1 1 56 56 TYR N N 56 115.049 115.049 116.348 -1.299 25443 7432 1 12 . 1 1 56 56 TYR HA H 56 5.602 5.602 5.621 -0.019 25443 7433 1 12 . 1 1 56 56 TYR C C 56 175.162 175.162 174.225 0.937 25443 7434 1 12 . 1 1 56 56 TYR CA C 56 55.444 55.444 56.938 -1.494 25443 7435 1 12 . 1 1 56 56 TYR CB C 56 42.189 42.189 42.609 -0.420 25443 7436 1 12 . 1 1 56 56 TYR H H 56 9.020 9.020 8.943 0.077 25443 7437 1 12 . 1 1 57 57 LEU N N 57 122.745 122.745 123.214 -0.469 25443 7438 1 12 . 1 1 57 57 LEU HA H 57 4.713 4.713 4.805 -0.092 25443 7439 1 12 . 1 1 57 57 LEU C C 57 172.371 172.371 174.428 -2.057 25443 7440 1 12 . 1 1 57 57 LEU CA C 57 54.712 54.712 53.666 1.046 25443 7441 1 12 . 1 1 57 57 LEU CB C 57 46.754 46.754 46.041 0.713 25443 7442 1 12 . 1 1 57 57 LEU H H 57 8.706 8.706 8.887 -0.181 25443 7443 1 12 . 1 1 58 58 LYS N N 58 125.469 125.469 125.271 0.198 25443 7444 1 12 . 1 1 58 58 LYS HA H 58 4.467 4.467 4.379 0.088 25443 7445 1 12 . 1 1 58 58 LYS C C 58 175.152 175.152 174.122 1.030 25443 7446 1 12 . 1 1 58 58 LYS CA C 58 54.494 54.494 54.186 0.308 25443 7447 1 12 . 1 1 58 58 LYS CB C 58 36.479 36.479 34.762 1.717 25443 7448 1 12 . 1 1 58 58 LYS H H 58 7.948 7.948 8.881 -0.933 25443 7449 1 12 . 1 1 59 59 TYR N N 59 126.261 126.261 122.607 3.654 25443 7450 1 12 . 1 1 59 59 TYR HA H 59 5.003 5.003 4.747 0.256 25443 7451 1 12 . 1 1 59 59 TYR C C 59 176.020 176.020 173.284 2.736 25443 7452 1 12 . 1 1 59 59 TYR CA C 59 57.992 57.992 55.871 2.121 25443 7453 1 12 . 1 1 59 59 TYR CB C 59 41.715 41.715 40.641 1.074 25443 7454 1 12 . 1 1 59 59 TYR H H 59 8.957 8.957 7.474 1.483 25443 7455 1 12 . 1 1 60 60 GLU N N 60 120.342 120.342 122.867 -2.525 25443 7456 1 12 . 1 1 60 60 GLU HA H 60 3.839 3.839 4.517 -0.678 25443 7457 1 12 . 1 1 60 60 GLU C C 60 175.346 175.346 175.628 -0.282 25443 7458 1 12 . 1 1 60 60 GLU CA C 60 59.057 59.057 56.073 2.984 25443 7459 1 12 . 1 1 60 60 GLU CB C 60 30.653 30.653 30.070 0.583 25443 7460 1 12 . 1 1 60 60 GLU H H 60 8.845 8.845 8.746 0.099 25443 7461 1 12 . 1 1 61 61 ASP N N 61 116.193 116.193 123.941 -7.748 25443 7462 1 12 . 1 1 61 61 ASP HA H 61 4.915 4.915 4.625 0.290 25443 7463 1 12 . 1 1 61 61 ASP C C 61 176.659 176.659 175.688 0.971 25443 7464 1 12 . 1 1 61 61 ASP CA C 61 51.856 51.856 54.489 -2.634 25443 7465 1 12 . 1 1 61 61 ASP CB C 61 43.726 43.726 41.967 1.759 25443 7466 1 12 . 1 1 61 61 ASP H H 61 7.922 7.922 8.126 -0.204 25443 7467 1 12 . 1 1 62 62 GLN N N 62 125.812 125.812 124.281 1.531 25443 7468 1 12 . 1 1 62 62 GLN HA H 62 4.221 4.221 4.152 0.069 25443 7469 1 12 . 1 1 62 62 GLN C C 62 178.430 178.430 177.680 0.750 25443 7470 1 12 . 1 1 62 62 GLN CA C 62 58.449 58.449 59.321 -0.872 25443 7471 1 12 . 1 1 62 62 GLN CB C 62 28.076 28.076 29.074 -0.998 25443 7472 1 12 . 1 1 62 62 GLN H H 62 8.964 8.964 8.747 0.217 25443 7473 1 12 . 1 1 63 63 ARG N N 63 120.943 120.943 119.652 1.291 25443 7474 1 12 . 1 1 63 63 ARG HA H 63 3.979 3.979 4.042 -0.063 25443 7475 1 12 . 1 1 63 63 ARG C C 63 179.350 179.350 178.687 0.663 25443 7476 1 12 . 1 1 63 63 ARG CA C 63 59.398 59.398 59.472 -0.074 25443 7477 1 12 . 1 1 63 63 ARG CB C 63 29.466 29.466 30.003 -0.537 25443 7478 1 12 . 1 1 63 63 ARG H H 63 8.965 8.965 8.565 0.400 25443 7479 1 12 . 1 1 64 64 SER N N 64 115.358 115.358 114.224 1.134 25443 7480 1 12 . 1 1 64 64 SER HA H 64 3.898 3.898 4.105 -0.207 25443 7481 1 12 . 1 1 64 64 SER C C 64 174.444 174.444 176.294 -1.850 25443 7482 1 12 . 1 1 64 64 SER CA C 64 62.459 62.459 62.287 0.172 25443 7483 1 12 . 1 1 64 64 SER CB C 64 62.040 62.040 62.453 -0.413 25443 7484 1 12 . 1 1 64 64 SER H H 64 8.065 8.065 9.251 -1.186 25443 7485 1 12 . 1 1 65 65 THR N N 65 113.614 113.614 116.036 -2.422 25443 7486 1 12 . 1 1 65 65 THR HA H 65 3.751 3.751 4.564 -0.813 25443 7487 1 12 . 1 1 65 65 THR C C 65 175.357 175.357 176.425 -1.068 25443 7488 1 12 . 1 1 65 65 THR CA C 65 66.292 66.292 65.456 0.836 25443 7489 1 12 . 1 1 65 65 THR CB C 65 68.457 68.457 68.995 -0.538 25443 7490 1 12 . 1 1 65 65 THR H H 65 7.484 7.484 7.979 -0.495 25443 7491 1 12 . 1 1 66 66 ILE N N 66 120.736 120.736 123.018 -2.282 25443 7492 1 12 . 1 1 66 66 ILE HA H 66 3.653 3.653 4.149 -0.496 25443 7493 1 12 . 1 1 66 66 ILE C C 66 177.518 177.518 178.056 -0.538 25443 7494 1 12 . 1 1 66 66 ILE CA C 66 64.014 64.014 62.249 1.765 25443 7495 1 12 . 1 1 66 66 ILE CB C 66 42.194 42.194 36.297 5.897 25443 7496 1 12 . 1 1 66 66 ILE H H 66 6.976 6.976 7.401 -0.425 25443 7497 1 12 . 1 1 67 67 LEU N N 67 117.584 117.584 121.760 -4.176 25443 7498 1 12 . 1 1 67 67 LEU HA H 67 3.921 3.921 3.844 0.077 25443 7499 1 12 . 1 1 67 67 LEU C C 67 179.650 179.650 178.401 1.249 25443 7500 1 12 . 1 1 67 67 LEU CA C 67 57.452 57.452 58.477 -1.025 25443 7501 1 12 . 1 1 67 67 LEU CB C 67 42.172 42.172 41.582 0.590 25443 7502 1 12 . 1 1 67 67 LEU H H 67 7.006 7.006 8.507 -1.501 25443 7503 1 12 . 1 1 68 68 ALA N N 68 121.025 121.025 120.868 0.157 25443 7504 1 12 . 1 1 68 68 ALA HA H 68 3.285 3.285 3.881 -0.596 25443 7505 1 12 . 1 1 68 68 ALA C C 68 179.216 179.216 179.647 -0.431 25443 7506 1 12 . 1 1 68 68 ALA CA C 68 55.564 55.564 55.189 0.375 25443 7507 1 12 . 1 1 68 68 ALA CB C 68 18.852 18.852 18.283 0.569 25443 7508 1 12 . 1 1 68 68 ALA H H 68 8.121 8.121 8.128 -0.007 25443 7509 1 12 . 1 1 69 69 VAL N N 69 117.799 117.799 118.084 -0.285 25443 7510 1 12 . 1 1 69 69 VAL HA H 69 3.243 3.243 3.672 -0.429 25443 7511 1 12 . 1 1 69 69 VAL C C 69 178.541 178.541 178.210 0.331 25443 7512 1 12 . 1 1 69 69 VAL CA C 69 67.237 67.237 66.839 0.398 25443 7513 1 12 . 1 1 69 69 VAL CB C 69 31.679 31.679 31.149 0.530 25443 7514 1 12 . 1 1 69 69 VAL H H 69 8.012 8.012 7.678 0.334 25443 7515 1 12 . 1 1 70 70 ASP N N 70 117.013 117.013 118.797 -1.784 25443 7516 1 12 . 1 1 70 70 ASP HA H 70 4.339 4.339 4.371 -0.032 25443 7517 1 12 . 1 1 70 70 ASP C C 70 178.330 178.330 177.494 0.836 25443 7518 1 12 . 1 1 70 70 ASP CA C 70 57.131 57.131 57.116 0.015 25443 7519 1 12 . 1 1 70 70 ASP CB C 70 40.465 40.465 41.445 -0.980 25443 7520 1 12 . 1 1 70 70 ASP H H 70 8.216 8.216 8.130 0.086 25443 7521 1 12 . 1 1 71 71 ASN N N 71 112.777 112.777 116.768 -3.991 25443 7522 1 12 . 1 1 71 71 ASN HA H 71 4.587 4.587 4.597 -0.010 25443 7523 1 12 . 1 1 71 71 ASN C C 71 176.314 176.314 177.195 -0.881 25443 7524 1 12 . 1 1 71 71 ASN CA C 71 55.474 55.474 55.375 0.099 25443 7525 1 12 . 1 1 71 71 ASN CB C 71 40.592 40.592 39.034 1.558 25443 7526 1 12 . 1 1 71 71 ASN H H 71 7.582 7.582 8.154 -0.572 25443 7527 1 12 . 1 1 72 72 LEU N N 72 116.551 116.551 117.656 -1.105 25443 7528 1 12 . 1 1 72 72 LEU HA H 72 4.494 4.494 4.281 0.213 25443 7529 1 12 . 1 1 72 72 LEU C C 72 177.500 177.500 176.773 0.727 25443 7530 1 12 . 1 1 72 72 LEU CA C 72 54.590 54.590 55.512 -0.922 25443 7531 1 12 . 1 1 72 72 LEU CB C 72 42.862 42.862 40.910 1.952 25443 7532 1 12 . 1 1 72 72 LEU H H 72 8.201 8.201 8.271 -0.070 25443 7533 1 12 . 1 1 73 73 ASN N N 73 118.974 118.974 118.452 0.522 25443 7534 1 12 . 1 1 73 73 ASN HA H 73 4.392 4.392 4.896 -0.504 25443 7535 1 12 . 1 1 73 73 ASN C C 73 177.151 177.151 176.785 0.366 25443 7536 1 12 . 1 1 73 73 ASN CA C 73 56.276 56.276 54.957 1.319 25443 7537 1 12 . 1 1 73 73 ASN CB C 73 38.853 38.853 37.749 1.104 25443 7538 1 12 . 1 1 73 73 ASN H H 73 7.406 7.406 7.683 -0.277 25443 7539 1 12 . 1 1 74 74 GLY N N 74 116.478 116.478 113.904 2.574 25443 7540 1 12 . 1 1 74 74 GLY C C 74 172.756 172.756 173.922 -1.166 25443 7541 1 12 . 1 1 74 74 GLY CA C 74 45.662 45.662 45.023 0.638 25443 7542 1 12 . 1 1 74 74 GLY H H 74 9.106 9.106 8.741 0.365 25443 7543 1 12 . 1 1 75 75 PHE N N 75 123.853 123.853 122.816 1.037 25443 7544 1 12 . 1 1 75 75 PHE HA H 75 4.328 4.328 4.452 -0.124 25443 7545 1 12 . 1 1 75 75 PHE C C 75 175.065 175.065 174.565 0.500 25443 7546 1 12 . 1 1 75 75 PHE CA C 75 58.371 58.371 58.061 0.310 25443 7547 1 12 . 1 1 75 75 PHE CB C 75 40.947 40.947 40.244 0.703 25443 7548 1 12 . 1 1 75 75 PHE H H 75 8.074 8.074 8.019 0.055 25443 7549 1 12 . 1 1 76 76 LYS N N 76 126.700 126.700 128.134 -1.434 25443 7550 1 12 . 1 1 76 76 LYS HA H 76 4.536 4.536 4.852 -0.316 25443 7551 1 12 . 1 1 76 76 LYS C C 76 175.395 175.395 176.001 -0.606 25443 7552 1 12 . 1 1 76 76 LYS CA C 76 56.227 56.227 55.414 0.813 25443 7553 1 12 . 1 1 76 76 LYS CB C 76 32.969 32.969 32.321 0.648 25443 7554 1 12 . 1 1 76 76 LYS H H 76 7.766 7.766 7.983 -0.217 25443 7555 1 12 . 1 1 77 77 ILE N N 77 120.686 120.686 126.667 -5.981 25443 7556 1 12 . 1 1 77 77 ILE HA H 77 4.231 4.231 4.123 0.108 25443 7557 1 12 . 1 1 77 77 ILE C C 77 177.605 177.605 176.119 1.486 25443 7558 1 12 . 1 1 77 77 ILE CA C 77 59.981 59.981 60.624 -0.643 25443 7559 1 12 . 1 1 77 77 ILE CB C 77 40.409 40.409 38.946 1.464 25443 7560 1 12 . 1 1 77 77 ILE H H 77 8.005 8.005 9.005 -1.000 25443 7561 1 12 . 1 1 78 78 GLY N N 78 118.352 118.352 116.642 1.710 25443 7562 1 12 . 1 1 78 78 GLY C C 78 175.639 175.639 174.956 0.683 25443 7563 1 12 . 1 1 78 78 GLY CA C 78 47.227 47.227 45.200 2.027 25443 7564 1 12 . 1 1 78 78 GLY H H 78 9.800 9.800 9.076 0.724 25443 7565 1 12 . 1 1 79 79 GLY N N 79 104.167 104.167 104.078 0.089 25443 7566 1 12 . 1 1 79 79 GLY C C 79 173.371 173.371 174.383 -1.012 25443 7567 1 12 . 1 1 79 79 GLY CA C 79 45.037 45.037 44.761 0.276 25443 7568 1 12 . 1 1 79 79 GLY H H 79 8.795 8.795 8.244 0.551 25443 7569 1 12 . 1 1 80 80 ARG N N 80 119.090 119.090 122.334 -3.244 25443 7570 1 12 . 1 1 80 80 ARG HA H 80 4.590 4.590 4.560 0.030 25443 7571 1 12 . 1 1 80 80 ARG C C 80 174.563 174.563 174.703 -0.140 25443 7572 1 12 . 1 1 80 80 ARG CA C 80 54.615 54.615 54.612 0.003 25443 7573 1 12 . 1 1 80 80 ARG CB C 80 33.487 33.487 31.400 2.087 25443 7574 1 12 . 1 1 80 80 ARG H H 80 7.281 7.281 7.565 -0.284 25443 7575 1 12 . 1 1 81 81 ALA N N 81 126.039 126.039 126.221 -0.182 25443 7576 1 12 . 1 1 81 81 ALA HA H 81 4.216 4.216 5.197 -0.981 25443 7577 1 12 . 1 1 81 81 ALA C C 81 177.149 177.149 177.278 -0.129 25443 7578 1 12 . 1 1 81 81 ALA CA C 81 51.081 51.081 50.221 0.860 25443 7579 1 12 . 1 1 81 81 ALA CB C 81 19.226 19.226 20.271 -1.045 25443 7580 1 12 . 1 1 81 81 ALA H H 81 8.651 8.651 8.461 0.190 25443 7581 1 12 . 1 1 82 82 LEU N N 82 125.451 125.451 125.375 0.076 25443 7582 1 12 . 1 1 82 82 LEU HA H 82 4.390 4.390 4.329 0.061 25443 7583 1 12 . 1 1 82 82 LEU C C 82 177.498 177.498 176.512 0.986 25443 7584 1 12 . 1 1 82 82 LEU CA C 82 56.065 56.065 54.825 1.240 25443 7585 1 12 . 1 1 82 82 LEU CB C 82 43.267 43.267 41.873 1.393 25443 7586 1 12 . 1 1 82 82 LEU H H 82 8.805 8.805 8.625 0.180 25443 7587 1 12 . 1 1 83 83 LYS N N 83 123.253 123.253 126.407 -3.154 25443 7588 1 12 . 1 1 83 83 LYS C C 83 174.892 174.892 175.079 -0.187 25443 7589 1 12 . 1 1 83 83 LYS CA C 83 54.892 54.892 55.597 -0.705 25443 7590 1 12 . 1 1 83 83 LYS H H 83 7.768 7.768 8.466 -0.699 25443 7591 1 12 . 1 1 84 84 ILE N N 84 125.577 125.577 124.593 0.984 25443 7592 1 12 . 1 1 84 84 ILE HA H 84 5.581 5.581 5.266 0.315 25443 7593 1 12 . 1 1 84 84 ILE C C 84 174.901 174.901 175.828 -0.927 25443 7594 1 12 . 1 1 84 84 ILE CA C 84 58.803 58.803 57.879 0.924 25443 7595 1 12 . 1 1 84 84 ILE CB C 84 40.306 40.306 39.398 0.908 25443 7596 1 12 . 1 1 84 84 ILE H H 84 8.616 8.616 8.427 0.189 25443 7597 1 12 . 1 1 85 85 ASP N N 85 125.373 125.373 124.952 0.421 25443 7598 1 12 . 1 1 85 85 ASP HA H 85 4.909 4.909 4.951 -0.042 25443 7599 1 12 . 1 1 85 85 ASP C C 85 174.826 174.826 174.666 0.160 25443 7600 1 12 . 1 1 85 85 ASP CA C 85 52.372 52.372 52.532 -0.160 25443 7601 1 12 . 1 1 85 85 ASP CB C 85 45.290 45.290 44.572 0.719 25443 7602 1 12 . 1 1 85 85 ASP H H 85 8.907 8.907 8.824 0.083 25443 7603 1 12 . 1 1 86 86 HIS N N 86 121.396 121.396 122.957 -1.561 25443 7604 1 12 . 1 1 86 86 HIS CA C 86 57.540 57.540 57.530 0.010 25443 7605 1 12 . 1 1 86 86 HIS CB C 86 30.985 30.985 30.149 0.836 25443 7606 1 12 . 1 1 86 86 HIS H H 86 8.970 8.970 8.854 0.116 25443 7607 1 12 . 1 1 87 87 THR N N 87 116.761 116.761 119.188 -2.427 25443 7608 1 12 . 1 1 87 87 THR HA H 87 4.652 4.652 4.640 0.012 25443 7609 1 12 . 1 1 87 87 THR C C 87 171.272 171.272 173.117 -1.845 25443 7610 1 12 . 1 1 87 87 THR CA C 87 60.710 60.710 60.176 0.534 25443 7611 1 12 . 1 1 87 87 THR CB C 87 69.764 69.764 70.408 -0.644 25443 7612 1 12 . 1 1 87 87 THR H H 87 8.557 8.557 8.381 0.176 25443 7613 1 12 . 1 1 88 88 PHE N N 88 120.343 120.343 126.674 -6.331 25443 7614 1 12 . 1 1 88 88 PHE HA H 88 5.273 5.273 4.859 0.414 25443 7615 1 12 . 1 1 88 88 PHE C C 88 174.288 174.288 173.691 0.597 25443 7616 1 12 . 1 1 88 88 PHE CA C 88 55.959 55.959 56.741 -0.782 25443 7617 1 12 . 1 1 88 88 PHE CB C 88 41.079 41.079 40.272 0.807 25443 7618 1 12 . 1 1 88 88 PHE H H 88 8.114 8.114 8.718 -0.604 25443 7619 1 12 . 1 1 89 89 TYR N N 89 123.043 123.043 127.617 -4.574 25443 7620 1 12 . 1 1 89 89 TYR HA H 89 4.026 4.026 4.426 -0.400 25443 7621 1 12 . 1 1 89 89 TYR C C 89 173.155 173.155 172.297 0.858 25443 7622 1 12 . 1 1 89 89 TYR CA C 89 57.493 57.493 56.730 0.763 25443 7623 1 12 . 1 1 89 89 TYR CB C 89 39.829 39.829 41.281 -1.452 25443 7624 1 12 . 1 1 89 89 TYR H H 89 8.176 8.176 8.051 0.125 25443 7625 1 12 . 1 1 90 90 ARG N N 90 129.004 129.004 119.410 9.594 25443 7626 1 12 . 1 1 90 90 ARG HA H 90 4.398 4.398 4.581 -0.183 25443 7627 1 12 . 1 1 90 90 ARG CA C 90 51.548 51.548 52.311 -0.763 25443 7628 1 12 . 1 1 90 90 ARG CB C 90 30.882 30.882 31.065 -0.183 25443 7629 1 12 . 1 1 90 90 ARG H H 90 7.078 7.078 7.115 -0.037 25443 7630 1 12 . 1 1 91 91 PRO HA H 91 4.155 4.155 3.807 0.348 25443 7631 1 12 . 1 1 91 91 PRO C C 91 176.340 176.340 175.457 0.883 25443 7632 1 12 . 1 1 91 91 PRO CA C 91 62.454 62.454 62.312 0.141 25443 7633 1 12 . 1 1 91 91 PRO CB C 91 33.072 33.072 31.445 1.627 25443 7634 1 12 . 1 1 92 92 LYS N N 92 119.682 119.682 123.600 -3.918 25443 7635 1 12 . 1 1 92 92 LYS CA C 92 54.711 54.711 54.731 -0.020 25443 7636 1 12 . 1 1 92 92 LYS H H 92 8.644 8.644 8.317 0.327 25443 7637 1 12 . 1 1 93 93 ARG C C 93 178.899 178.899 177.392 1.507 25443 7638 1 12 . 1 1 93 93 ARG CA C 93 59.125 59.125 58.982 0.143 25443 7639 1 12 . 1 1 94 94 SER N N 94 112.166 112.166 115.711 -3.545 25443 7640 1 12 . 1 1 94 94 SER HA H 94 4.176 4.176 4.387 -0.211 25443 7641 1 12 . 1 1 94 94 SER C C 94 175.776 175.776 175.217 0.559 25443 7642 1 12 . 1 1 94 94 SER CA C 94 60.031 60.031 60.039 -0.009 25443 7643 1 12 . 1 1 94 94 SER CB C 94 62.152 62.152 63.001 -0.848 25443 7644 1 12 . 1 1 94 94 SER H H 94 8.299 8.299 8.197 0.102 25443 7645 1 12 . 1 1 95 95 LEU N N 95 122.179 122.179 121.649 0.530 25443 7646 1 12 . 1 1 95 95 LEU HA H 95 4.651 4.651 4.740 -0.089 25443 7647 1 12 . 1 1 95 95 LEU C C 95 175.381 175.381 177.492 -2.111 25443 7648 1 12 . 1 1 95 95 LEU CA C 95 53.934 53.934 53.343 0.591 25443 7649 1 12 . 1 1 95 95 LEU CB C 95 41.861 41.861 41.588 0.273 25443 7650 1 12 . 1 1 95 95 LEU H H 95 7.159 7.159 7.548 -0.389 25443 7651 1 12 . 1 1 96 96 GLN N N 96 118.834 118.834 120.679 -1.845 25443 7652 1 12 . 1 1 96 96 GLN HA H 96 4.030 4.030 4.276 -0.246 25443 7653 1 12 . 1 1 96 96 GLN C C 96 177.751 177.751 177.237 0.514 25443 7654 1 12 . 1 1 96 96 GLN CA C 96 60.705 60.705 59.224 1.481 25443 7655 1 12 . 1 1 96 96 GLN CB C 96 28.822 28.822 28.503 0.320 25443 7656 1 12 . 1 1 96 96 GLN H H 96 7.329 7.329 7.635 -0.306 25443 7657 1 12 . 1 1 97 97 LYS N N 97 116.469 116.469 119.072 -2.603 25443 7658 1 12 . 1 1 97 97 LYS HA H 97 4.060 4.060 4.159 -0.099 25443 7659 1 12 . 1 1 97 97 LYS C C 97 179.164 179.164 178.828 0.336 25443 7660 1 12 . 1 1 97 97 LYS CA C 97 59.430 59.430 58.811 0.619 25443 7661 1 12 . 1 1 97 97 LYS CB C 97 31.511 31.511 31.933 -0.422 25443 7662 1 12 . 1 1 97 97 LYS H H 97 8.614 8.614 8.260 0.354 25443 7663 1 12 . 1 1 98 98 TYR N N 98 124.165 124.165 121.268 2.897 25443 7664 1 12 . 1 1 98 98 TYR HA H 98 4.079 4.079 4.064 0.015 25443 7665 1 12 . 1 1 98 98 TYR C C 98 177.316 177.316 177.960 -0.644 25443 7666 1 12 . 1 1 98 98 TYR CA C 98 62.205 62.205 62.359 -0.154 25443 7667 1 12 . 1 1 98 98 TYR CB C 98 37.162 37.162 38.382 -1.220 25443 7668 1 12 . 1 1 98 98 TYR H H 98 7.585 7.585 7.837 -0.252 25443 7669 1 12 . 1 1 99 99 TYR N N 99 117.955 117.955 117.320 0.635 25443 7670 1 12 . 1 1 99 99 TYR HA H 99 5.078 5.078 4.224 0.854 25443 7671 1 12 . 1 1 99 99 TYR C C 99 180.957 180.957 178.504 2.453 25443 7672 1 12 . 1 1 99 99 TYR CA C 99 57.741 57.741 61.644 -3.903 25443 7673 1 12 . 1 1 99 99 TYR CB C 99 37.083 37.083 37.551 -0.468 25443 7674 1 12 . 1 1 99 99 TYR H H 99 8.660 8.660 7.577 1.083 25443 7675 1 12 . 1 1 100 100 GLU N N 100 118.796 118.796 119.360 -0.564 25443 7676 1 12 . 1 1 100 100 GLU HA H 100 4.024 4.024 3.906 0.118 25443 7677 1 12 . 1 1 100 100 GLU C C 100 178.571 178.571 178.689 -0.118 25443 7678 1 12 . 1 1 100 100 GLU CA C 100 59.400 59.400 59.518 -0.118 25443 7679 1 12 . 1 1 100 100 GLU CB C 100 29.660 29.660 29.445 0.215 25443 7680 1 12 . 1 1 100 100 GLU H H 100 8.263 8.263 8.150 0.113 25443 7681 1 12 . 1 1 101 101 ALA N N 101 123.346 123.346 122.604 0.742 25443 7682 1 12 . 1 1 101 101 ALA HA H 101 4.244 4.244 4.270 -0.026 25443 7683 1 12 . 1 1 101 101 ALA C C 101 181.331 181.331 179.908 1.423 25443 7684 1 12 . 1 1 101 101 ALA CA C 101 54.851 54.851 54.951 -0.100 25443 7685 1 12 . 1 1 101 101 ALA CB C 101 18.559 18.559 18.524 0.035 25443 7686 1 12 . 1 1 101 101 ALA H H 101 7.966 7.966 7.726 0.240 25443 7687 1 12 . 1 1 102 102 VAL N N 102 120.241 120.241 117.802 2.439 25443 7688 1 12 . 1 1 102 102 VAL HA H 102 3.713 3.713 3.566 0.147 25443 7689 1 12 . 1 1 102 102 VAL C C 102 176.967 176.967 178.049 -1.082 25443 7690 1 12 . 1 1 102 102 VAL CA C 102 67.433 67.433 66.184 1.249 25443 7691 1 12 . 1 1 102 102 VAL CB C 102 31.721 31.721 31.626 0.095 25443 7692 1 12 . 1 1 102 102 VAL H H 102 8.331 8.331 7.683 0.648 25443 7693 1 12 . 1 1 103 103 LYS N N 103 120.001 120.001 120.497 -0.496 25443 7694 1 12 . 1 1 103 103 LYS HA H 103 3.859 3.859 4.012 -0.153 25443 7695 1 12 . 1 1 103 103 LYS C C 103 178.500 178.500 178.686 -0.186 25443 7696 1 12 . 1 1 103 103 LYS CA C 103 59.652 59.652 59.410 0.242 25443 7697 1 12 . 1 1 103 103 LYS CB C 103 32.040 32.040 32.191 -0.151 25443 7698 1 12 . 1 1 103 103 LYS H H 103 8.201 8.201 8.154 0.047 25443 7699 1 12 . 1 1 104 104 GLU N N 104 116.335 116.335 118.731 -2.396 25443 7700 1 12 . 1 1 104 104 GLU HA H 104 3.928 3.928 3.984 -0.056 25443 7701 1 12 . 1 1 104 104 GLU C C 104 178.645 178.645 178.742 -0.097 25443 7702 1 12 . 1 1 104 104 GLU CA C 104 59.110 59.110 59.598 -0.488 25443 7703 1 12 . 1 1 104 104 GLU CB C 104 29.607 29.607 29.373 0.234 25443 7704 1 12 . 1 1 104 104 GLU H H 104 7.909 7.909 8.299 -0.390 25443 7705 1 12 . 1 1 105 105 GLU N N 105 119.210 119.210 119.341 -0.131 25443 7706 1 12 . 1 1 105 105 GLU HA H 105 3.844 3.844 4.146 -0.302 25443 7707 1 12 . 1 1 105 105 GLU C C 105 178.613 178.613 178.894 -0.281 25443 7708 1 12 . 1 1 105 105 GLU CA C 105 58.162 58.162 58.455 -0.292 25443 7709 1 12 . 1 1 105 105 GLU CB C 105 29.754 29.754 29.575 0.179 25443 7710 1 12 . 1 1 105 105 GLU H H 105 7.257 7.257 7.675 -0.418 25443 7711 1 12 . 1 1 106 106 LEU N N 106 117.408 117.408 119.306 -1.898 25443 7712 1 12 . 1 1 106 106 LEU HA H 106 3.976 3.976 4.139 -0.163 25443 7713 1 12 . 1 1 106 106 LEU C C 106 178.646 178.646 179.363 -0.717 25443 7714 1 12 . 1 1 106 106 LEU CA C 106 56.699 56.699 57.166 -0.466 25443 7715 1 12 . 1 1 106 106 LEU CB C 106 40.455 40.455 42.059 -1.604 25443 7716 1 12 . 1 1 106 106 LEU H H 106 8.169 8.169 7.327 0.842 25443 7717 1 12 . 1 1 107 107 ASP N N 107 119.073 119.073 119.722 -0.649 25443 7718 1 12 . 1 1 107 107 ASP HA H 107 4.521 4.521 4.344 0.177 25443 7719 1 12 . 1 1 107 107 ASP C C 107 177.069 177.069 177.970 -0.901 25443 7720 1 12 . 1 1 107 107 ASP CA C 107 55.099 55.099 57.384 -2.285 25443 7721 1 12 . 1 1 107 107 ASP CB C 107 40.670 40.670 40.861 -0.191 25443 7722 1 12 . 1 1 107 107 ASP H H 107 8.003 8.003 8.794 -0.791 25443 7723 1 12 . 1 1 108 108 ARG N N 108 120.705 120.705 118.578 2.127 25443 7724 1 12 . 1 1 108 108 ARG HA H 108 4.067 4.067 4.135 -0.068 25443 7725 1 12 . 1 1 108 108 ARG C C 108 176.990 176.990 177.436 -0.446 25443 7726 1 12 . 1 1 108 108 ARG CA C 108 57.517 57.517 58.351 -0.834 25443 7727 1 12 . 1 1 108 108 ARG CB C 108 30.407 30.407 29.966 0.441 25443 7728 1 12 . 1 1 108 108 ARG H H 108 7.603 7.603 7.519 0.084 25443 7729 1 12 . 1 1 109 109 ASP N N 109 120.246 120.246 117.828 2.418 25443 7730 1 12 . 1 1 109 109 ASP HA H 109 4.521 4.521 4.535 -0.014 25443 7731 1 12 . 1 1 109 109 ASP C C 109 176.630 176.630 177.872 -1.242 25443 7732 1 12 . 1 1 109 109 ASP CA C 109 55.028 55.028 56.494 -1.466 25443 7733 1 12 . 1 1 109 109 ASP CB C 109 40.936 40.936 41.254 -0.318 25443 7734 1 12 . 1 1 109 109 ASP H H 109 8.226 8.226 7.824 0.402 25443 7735 1 12 . 1 1 110 110 ILE N N 110 120.386 120.386 118.487 1.899 25443 7736 1 12 . 1 1 110 110 ILE HA H 110 3.987 3.987 3.874 0.113 25443 7737 1 12 . 1 1 110 110 ILE C C 110 176.996 176.996 177.593 -0.597 25443 7738 1 12 . 1 1 110 110 ILE CA C 110 62.241 62.241 63.520 -1.279 25443 7739 1 12 . 1 1 110 110 ILE CB C 110 38.359 38.359 38.945 -0.586 25443 7740 1 12 . 1 1 110 110 ILE H H 110 7.863 7.863 7.422 0.441 25443 7741 1 12 . 1 1 111 111 VAL N N 111 122.548 122.548 116.549 5.999 25443 7742 1 12 . 1 1 111 111 VAL HA H 111 3.946 3.946 3.502 0.444 25443 7743 1 12 . 1 1 111 111 VAL C C 111 176.938 176.938 176.717 0.221 25443 7744 1 12 . 1 1 111 111 VAL CA C 111 63.499 63.499 65.058 -1.559 25443 7745 1 12 . 1 1 111 111 VAL CB C 111 32.223 32.223 31.044 1.179 25443 7746 1 12 . 1 1 111 111 VAL H H 111 8.016 8.016 8.627 -0.611 25443 7747 1 12 . 1 1 112 112 SER N N 112 117.984 117.984 113.476 4.508 25443 7748 1 12 . 1 1 112 112 SER HA H 112 4.317 4.317 4.600 -0.283 25443 7749 1 12 . 1 1 112 112 SER C C 112 175.154 175.154 173.145 2.009 25443 7750 1 12 . 1 1 112 112 SER CA C 112 59.025 59.025 58.661 0.364 25443 7751 1 12 . 1 1 112 112 SER CB C 112 63.419 63.419 64.266 -0.847 25443 7752 1 12 . 1 1 112 112 SER H H 112 8.187 8.187 8.226 -0.039 25443 7753 1 12 . 1 1 113 113 LYS N N 113 122.727 122.727 124.447 -1.720 25443 7754 1 12 . 1 1 113 113 LYS HA H 113 4.209 4.209 4.492 -0.283 25443 7755 1 12 . 1 1 113 113 LYS C C 113 176.713 176.713 174.973 1.740 25443 7756 1 12 . 1 1 113 113 LYS CA C 113 56.844 56.844 55.341 1.503 25443 7757 1 12 . 1 1 113 113 LYS CB C 113 32.794 32.794 32.309 0.485 25443 7758 1 12 . 1 1 113 113 LYS H H 113 8.152 8.152 7.968 0.184 25443 7759 1 12 . 1 1 114 114 ASN N N 114 118.886 118.886 123.482 -4.596 25443 7760 1 12 . 1 1 114 114 ASN C C 114 175.227 175.227 176.116 -0.889 25443 7761 1 12 . 1 1 114 114 ASN CA C 114 53.549 53.549 52.269 1.280 25443 7762 1 12 . 1 1 114 114 ASN H H 114 8.261 8.261 8.125 0.136 25443 7763 1 12 . 1 1 115 115 ASN N N 115 119.345 119.345 119.454 -0.109 25443 7764 1 12 . 1 1 115 115 ASN C C 115 174.896 174.896 174.864 0.032 25443 7765 1 12 . 1 1 115 115 ASN CA C 115 53.476 53.476 55.218 -1.742 25443 7766 1 12 . 1 1 115 115 ASN H H 115 8.257 8.257 8.522 -0.265 25443 7767 1 12 . 1 1 116 116 ALA N N 116 123.669 123.669 122.467 1.202 25443 7768 1 12 . 1 1 116 116 ALA HA H 116 4.254 4.254 4.438 -0.184 25443 7769 1 12 . 1 1 116 116 ALA C C 116 177.567 177.567 175.691 1.876 25443 7770 1 12 . 1 1 116 116 ALA CA C 116 52.678 52.678 52.306 0.372 25443 7771 1 12 . 1 1 116 116 ALA CB C 116 19.243 19.243 19.503 -0.260 25443 7772 1 12 . 1 1 116 116 ALA H H 116 8.094 8.094 7.881 0.213 25443 7773 1 12 . 1 1 117 117 GLU N N 117 120.083 120.083 123.359 -3.276 25443 7774 1 12 . 1 1 117 117 GLU C C 117 175.564 175.564 174.817 0.747 25443 7775 1 12 . 1 1 117 117 GLU CA C 117 56.602 56.602 55.872 0.730 25443 7776 1 12 . 1 1 117 117 GLU H H 117 8.221 8.221 8.657 -0.436 25443 7777 1 13 . 1 1 2 2 ALA HA H 2 4.286 4.286 4.613 -0.327 25443 7778 1 13 . 1 1 2 2 ALA C C 2 177.853 177.853 177.488 0.365 25443 7779 1 13 . 1 1 2 2 ALA CA C 2 52.661 52.661 51.581 1.080 25443 7780 1 13 . 1 1 2 2 ALA CB C 2 19.308 19.308 19.415 -0.107 25443 7781 1 13 . 1 1 3 3 MET N N 3 119.404 119.404 122.993 -3.589 25443 7782 1 13 . 1 1 3 3 MET HA H 3 4.435 4.435 4.379 0.056 25443 7783 1 13 . 1 1 3 3 MET C C 3 176.731 176.731 175.854 0.877 25443 7784 1 13 . 1 1 3 3 MET CA C 3 55.503 55.503 55.251 0.252 25443 7785 1 13 . 1 1 3 3 MET CB C 3 32.795 32.795 33.038 -0.242 25443 7786 1 13 . 1 1 3 3 MET H H 3 8.530 8.530 8.929 -0.399 25443 7787 1 13 . 1 1 4 4 GLY N N 4 109.968 109.968 106.279 3.689 25443 7788 1 13 . 1 1 4 4 GLY C C 4 174.057 174.057 174.100 -0.043 25443 7789 1 13 . 1 1 4 4 GLY CA C 4 45.363 45.363 44.679 0.684 25443 7790 1 13 . 1 1 4 4 GLY H H 4 8.414 8.414 8.317 0.097 25443 7791 1 13 . 1 1 5 5 ASN N N 5 118.659 118.659 119.176 -0.517 25443 7792 1 13 . 1 1 5 5 ASN HA H 5 4.606 4.606 4.472 0.134 25443 7793 1 13 . 1 1 5 5 ASN C C 5 175.443 175.443 177.291 -1.848 25443 7794 1 13 . 1 1 5 5 ASN CA C 5 53.530 53.530 55.052 -1.522 25443 7795 1 13 . 1 1 5 5 ASN CB C 5 38.876 38.876 38.181 0.695 25443 7796 1 13 . 1 1 5 5 ASN H H 5 8.326 8.326 8.892 -0.566 25443 7797 1 13 . 1 1 6 6 GLU N N 6 120.909 120.909 118.973 1.936 25443 7798 1 13 . 1 1 6 6 GLU HA H 6 4.097 4.097 4.035 0.062 25443 7799 1 13 . 1 1 6 6 GLU C C 6 176.261 176.261 178.563 -2.302 25443 7800 1 13 . 1 1 6 6 GLU CA C 6 57.171 57.171 58.964 -1.793 25443 7801 1 13 . 1 1 6 6 GLU CB C 6 29.715 29.715 28.987 0.728 25443 7802 1 13 . 1 1 6 6 GLU H H 6 8.633 8.633 8.806 -0.173 25443 7803 1 13 . 1 1 7 7 TYR N N 7 120.283 120.283 115.684 4.599 25443 7804 1 13 . 1 1 7 7 TYR HA H 7 4.440 4.440 4.436 0.004 25443 7805 1 13 . 1 1 7 7 TYR C C 7 175.789 175.789 174.652 1.137 25443 7806 1 13 . 1 1 7 7 TYR CA C 7 58.061 58.061 58.038 0.023 25443 7807 1 13 . 1 1 7 7 TYR CB C 7 38.193 38.193 38.101 0.092 25443 7808 1 13 . 1 1 7 7 TYR H H 7 8.069 8.069 8.079 -0.010 25443 7809 1 13 . 1 1 8 8 LYS N N 8 121.780 121.780 116.212 5.568 25443 7810 1 13 . 1 1 8 8 LYS HA H 8 4.107 4.107 3.995 0.112 25443 7811 1 13 . 1 1 8 8 LYS C C 8 175.970 175.970 176.730 -0.760 25443 7812 1 13 . 1 1 8 8 LYS CA C 8 56.550 56.550 57.159 -0.609 25443 7813 1 13 . 1 1 8 8 LYS CB C 8 33.141 33.141 29.900 3.241 25443 7814 1 13 . 1 1 8 8 LYS H H 8 7.868 7.868 7.360 0.508 25443 7815 1 13 . 1 1 9 9 ASP N N 9 119.825 119.825 118.364 1.461 25443 7816 1 13 . 1 1 9 9 ASP HA H 9 4.577 4.577 4.383 0.194 25443 7817 1 13 . 1 1 9 9 ASP C C 9 175.979 175.979 176.731 -0.752 25443 7818 1 13 . 1 1 9 9 ASP CA C 9 54.608 54.608 57.110 -2.502 25443 7819 1 13 . 1 1 9 9 ASP CB C 9 41.455 41.455 40.922 0.533 25443 7820 1 13 . 1 1 9 9 ASP H H 9 8.164 8.164 8.661 -0.497 25443 7821 1 13 . 1 1 10 10 ASN N N 10 119.410 119.410 116.177 3.233 25443 7822 1 13 . 1 1 10 10 ASN HA H 10 4.935 4.935 4.868 0.067 25443 7823 1 13 . 1 1 10 10 ASN C C 10 174.654 174.654 174.872 -0.218 25443 7824 1 13 . 1 1 10 10 ASN CA C 10 52.792 52.792 52.596 0.196 25443 7825 1 13 . 1 1 10 10 ASN CB C 10 38.554 38.554 37.615 0.939 25443 7826 1 13 . 1 1 10 10 ASN H H 10 8.284 8.284 8.238 0.046 25443 7827 1 13 . 1 1 11 11 ALA N N 11 122.716 122.716 123.617 -0.901 25443 7828 1 13 . 1 1 11 11 ALA HA H 11 4.521 4.521 4.338 0.183 25443 7829 1 13 . 1 1 11 11 ALA CA C 11 53.148 53.148 52.203 0.945 25443 7830 1 13 . 1 1 11 11 ALA CB C 11 19.223 19.223 18.245 0.978 25443 7831 1 13 . 1 1 11 11 ALA H H 11 8.260 8.260 7.178 1.083 25443 7832 1 13 . 1 1 12 12 TYR HA H 12 4.943 4.943 5.609 -0.666 25443 7833 1 13 . 1 1 12 12 TYR C C 12 177.075 177.075 175.164 1.911 25443 7834 1 13 . 1 1 12 12 TYR CA C 12 57.314 57.314 55.955 1.359 25443 7835 1 13 . 1 1 12 12 TYR CB C 12 42.614 42.614 42.977 -0.363 25443 7836 1 13 . 1 1 13 13 ILE N N 13 114.211 114.211 117.262 -3.051 25443 7837 1 13 . 1 1 13 13 ILE HA H 13 4.981 4.981 5.048 -0.067 25443 7838 1 13 . 1 1 13 13 ILE C C 13 174.500 174.500 174.491 0.009 25443 7839 1 13 . 1 1 13 13 ILE CA C 13 60.380 60.380 59.179 1.201 25443 7840 1 13 . 1 1 13 13 ILE CB C 13 39.792 39.792 40.932 -1.141 25443 7841 1 13 . 1 1 13 13 ILE H H 13 9.358 9.358 8.716 0.642 25443 7842 1 13 . 1 1 14 14 TYR N N 14 124.891 124.891 128.556 -3.665 25443 7843 1 13 . 1 1 14 14 TYR HA H 14 4.579 4.579 4.939 -0.360 25443 7844 1 13 . 1 1 14 14 TYR C C 14 173.192 173.192 173.849 -0.657 25443 7845 1 13 . 1 1 14 14 TYR CA C 14 56.202 56.202 57.965 -1.763 25443 7846 1 13 . 1 1 14 14 TYR CB C 14 40.163 40.163 39.493 0.670 25443 7847 1 13 . 1 1 14 14 TYR H H 14 9.163 9.163 9.065 0.098 25443 7848 1 13 . 1 1 15 15 ILE N N 15 127.801 127.801 126.370 1.431 25443 7849 1 13 . 1 1 15 15 ILE HA H 15 4.210 4.210 4.527 -0.317 25443 7850 1 13 . 1 1 15 15 ILE C C 15 173.823 173.823 175.423 -1.600 25443 7851 1 13 . 1 1 15 15 ILE CA C 15 59.616 59.616 59.369 0.247 25443 7852 1 13 . 1 1 15 15 ILE CB C 15 39.735 39.735 41.463 -1.728 25443 7853 1 13 . 1 1 15 15 ILE H H 15 8.569 8.569 8.333 0.236 25443 7854 1 13 . 1 1 16 16 GLY N N 16 112.441 112.441 111.827 0.614 25443 7855 1 13 . 1 1 16 16 GLY C C 16 173.159 173.159 174.110 -0.951 25443 7856 1 13 . 1 1 16 16 GLY CA C 16 43.244 43.244 43.462 -0.218 25443 7857 1 13 . 1 1 16 16 GLY H H 16 9.354 9.354 8.234 1.120 25443 7858 1 13 . 1 1 17 17 ASN N N 17 114.797 114.797 117.620 -2.823 25443 7859 1 13 . 1 1 17 17 ASN HA H 17 4.347 4.347 4.519 -0.172 25443 7860 1 13 . 1 1 17 17 ASN C C 17 174.834 174.834 175.013 -0.179 25443 7861 1 13 . 1 1 17 17 ASN CA C 17 53.214 53.214 54.029 -0.814 25443 7862 1 13 . 1 1 17 17 ASN CB C 17 37.826 37.826 38.312 -0.486 25443 7863 1 13 . 1 1 17 17 ASN H H 17 8.552 8.552 8.470 0.082 25443 7864 1 13 . 1 1 18 18 LEU N N 18 114.526 114.526 125.032 -10.506 25443 7865 1 13 . 1 1 18 18 LEU HA H 18 3.994 3.994 4.513 -0.519 25443 7866 1 13 . 1 1 18 18 LEU C C 18 177.948 177.948 176.349 1.599 25443 7867 1 13 . 1 1 18 18 LEU CA C 18 53.772 53.772 53.573 0.199 25443 7868 1 13 . 1 1 18 18 LEU CB C 18 42.385 42.385 43.835 -1.450 25443 7869 1 13 . 1 1 18 18 LEU H H 18 7.743 7.743 7.785 -0.042 25443 7870 1 13 . 1 1 19 19 ASN N N 19 122.718 122.718 118.223 4.495 25443 7871 1 13 . 1 1 19 19 ASN HA H 19 4.302 4.302 4.621 -0.319 25443 7872 1 13 . 1 1 19 19 ASN C C 19 178.040 178.040 176.798 1.242 25443 7873 1 13 . 1 1 19 19 ASN CA C 19 54.421 54.421 53.482 0.939 25443 7874 1 13 . 1 1 19 19 ASN CB C 19 38.580 38.580 39.189 -0.609 25443 7875 1 13 . 1 1 19 19 ASN H H 19 8.758 8.758 8.629 0.129 25443 7876 1 13 . 1 1 20 20 ARG N N 20 128.821 128.821 120.979 7.842 25443 7877 1 13 . 1 1 20 20 ARG HA H 20 3.790 3.790 4.104 -0.314 25443 7878 1 13 . 1 1 20 20 ARG C C 20 175.566 175.566 175.918 -0.352 25443 7879 1 13 . 1 1 20 20 ARG CA C 20 58.775 58.775 58.006 0.769 25443 7880 1 13 . 1 1 20 20 ARG CB C 20 29.642 29.642 30.179 -0.537 25443 7881 1 13 . 1 1 20 20 ARG H H 20 8.997 8.997 8.794 0.203 25443 7882 1 13 . 1 1 21 21 GLU N N 21 117.438 117.438 118.072 -0.634 25443 7883 1 13 . 1 1 21 21 GLU HA H 21 4.214 4.214 4.374 -0.160 25443 7884 1 13 . 1 1 21 21 GLU C C 21 177.076 177.076 175.641 1.435 25443 7885 1 13 . 1 1 21 21 GLU CA C 21 56.677 56.677 55.661 1.016 25443 7886 1 13 . 1 1 21 21 GLU CB C 21 30.451 30.451 29.635 0.816 25443 7887 1 13 . 1 1 21 21 GLU H H 21 9.043 9.043 8.189 0.854 25443 7888 1 13 . 1 1 22 22 LEU N N 22 116.311 116.311 123.427 -7.116 25443 7889 1 13 . 1 1 22 22 LEU HA H 22 4.491 4.491 4.353 0.138 25443 7890 1 13 . 1 1 22 22 LEU C C 22 178.389 178.389 176.014 2.375 25443 7891 1 13 . 1 1 22 22 LEU CA C 22 55.496 55.496 54.302 1.194 25443 7892 1 13 . 1 1 22 22 LEU CB C 22 42.148 42.148 41.652 0.496 25443 7893 1 13 . 1 1 22 22 LEU H H 22 7.183 7.183 7.488 -0.305 25443 7894 1 13 . 1 1 23 23 THR N N 23 113.850 113.850 116.264 -2.414 25443 7895 1 13 . 1 1 23 23 THR HA H 23 4.289 4.289 4.581 -0.292 25443 7896 1 13 . 1 1 23 23 THR C C 23 175.229 175.229 175.763 -0.534 25443 7897 1 13 . 1 1 23 23 THR CA C 23 59.895 59.895 59.517 0.378 25443 7898 1 13 . 1 1 23 23 THR CB C 23 71.989 71.989 70.946 1.043 25443 7899 1 13 . 1 1 23 23 THR H H 23 8.743 8.743 8.835 -0.092 25443 7900 1 13 . 1 1 24 24 GLU N N 24 119.724 119.724 121.040 -1.316 25443 7901 1 13 . 1 1 24 24 GLU HA H 24 3.591 3.591 4.100 -0.509 25443 7902 1 13 . 1 1 24 24 GLU C C 24 178.597 178.597 178.686 -0.089 25443 7903 1 13 . 1 1 24 24 GLU CA C 24 63.490 63.490 60.551 2.939 25443 7904 1 13 . 1 1 24 24 GLU CB C 24 27.433 27.433 29.027 -1.594 25443 7905 1 13 . 1 1 24 24 GLU H H 24 9.641 9.641 8.979 0.662 25443 7906 1 13 . 1 1 25 25 GLY N N 25 104.430 104.430 107.677 -3.247 25443 7907 1 13 . 1 1 25 25 GLY C C 25 175.425 175.425 175.764 -0.339 25443 7908 1 13 . 1 1 25 25 GLY CA C 25 47.334 47.334 46.880 0.454 25443 7909 1 13 . 1 1 25 25 GLY H H 25 8.423 8.423 7.809 0.614 25443 7910 1 13 . 1 1 26 26 ASP N N 26 123.128 123.128 123.869 -0.741 25443 7911 1 13 . 1 1 26 26 ASP HA H 26 4.530 4.530 4.449 0.081 25443 7912 1 13 . 1 1 26 26 ASP C C 26 177.878 177.878 178.612 -0.734 25443 7913 1 13 . 1 1 26 26 ASP CA C 26 57.429 57.429 57.587 -0.158 25443 7914 1 13 . 1 1 26 26 ASP CB C 26 41.612 41.612 40.828 0.784 25443 7915 1 13 . 1 1 26 26 ASP H H 26 7.859 7.859 7.585 0.274 25443 7916 1 13 . 1 1 27 27 ILE N N 27 118.864 118.864 120.803 -1.939 25443 7917 1 13 . 1 1 27 27 ILE HA H 27 3.534 3.534 3.752 -0.218 25443 7918 1 13 . 1 1 27 27 ILE C C 27 178.225 178.225 178.240 -0.015 25443 7919 1 13 . 1 1 27 27 ILE CA C 27 65.627 65.627 65.372 0.255 25443 7920 1 13 . 1 1 27 27 ILE CB C 27 37.614 37.614 38.027 -0.413 25443 7921 1 13 . 1 1 27 27 ILE H H 27 8.055 8.055 8.136 -0.081 25443 7922 1 13 . 1 1 28 28 LEU N N 28 119.416 119.416 119.465 -0.049 25443 7923 1 13 . 1 1 28 28 LEU HA H 28 3.861 3.861 4.154 -0.293 25443 7924 1 13 . 1 1 28 28 LEU C C 28 179.884 179.884 179.676 0.208 25443 7925 1 13 . 1 1 28 28 LEU CA C 28 58.758 58.758 58.112 0.645 25443 7926 1 13 . 1 1 28 28 LEU CB C 28 41.137 41.137 41.300 -0.162 25443 7927 1 13 . 1 1 28 28 LEU H H 28 8.423 8.423 8.352 0.071 25443 7928 1 13 . 1 1 29 29 THR N N 29 119.586 119.586 115.985 3.601 25443 7929 1 13 . 1 1 29 29 THR HA H 29 3.790 3.790 4.034 -0.244 25443 7930 1 13 . 1 1 29 29 THR C C 29 176.530 176.530 176.352 0.178 25443 7931 1 13 . 1 1 29 29 THR CA C 29 67.322 67.322 66.673 0.649 25443 7932 1 13 . 1 1 29 29 THR CB C 29 68.372 68.372 68.580 -0.208 25443 7933 1 13 . 1 1 29 29 THR H H 29 8.552 8.552 7.995 0.557 25443 7934 1 13 . 1 1 30 30 VAL N N 30 119.948 119.948 120.069 -0.121 25443 7935 1 13 . 1 1 30 30 VAL HA H 30 3.601 3.601 3.706 -0.105 25443 7936 1 13 . 1 1 30 30 VAL C C 30 178.670 178.670 178.187 0.483 25443 7937 1 13 . 1 1 30 30 VAL CA C 30 66.081 66.081 65.830 0.251 25443 7938 1 13 . 1 1 30 30 VAL CB C 30 32.993 32.993 31.236 1.757 25443 7939 1 13 . 1 1 30 30 VAL H H 30 7.959 7.959 7.775 0.184 25443 7940 1 13 . 1 1 31 31 PHE N N 31 113.636 113.636 118.762 -5.126 25443 7941 1 13 . 1 1 31 31 PHE HA H 31 4.006 4.006 4.528 -0.522 25443 7942 1 13 . 1 1 31 31 PHE C C 31 180.133 180.133 177.804 2.329 25443 7943 1 13 . 1 1 31 31 PHE CA C 31 62.266 62.266 60.123 2.143 25443 7944 1 13 . 1 1 31 31 PHE CB C 31 37.711 37.711 38.024 -0.313 25443 7945 1 13 . 1 1 31 31 PHE H H 31 8.726 8.726 8.023 0.704 25443 7946 1 13 . 1 1 32 32 SER N N 32 119.746 119.746 115.893 3.853 25443 7947 1 13 . 1 1 32 32 SER HA H 32 5.107 5.107 4.214 0.893 25443 7948 1 13 . 1 1 32 32 SER C C 32 173.450 173.450 175.437 -1.987 25443 7949 1 13 . 1 1 32 32 SER CA C 32 61.440 61.440 61.629 -0.189 25443 7950 1 13 . 1 1 32 32 SER CB C 32 62.690 62.690 62.376 0.314 25443 7951 1 13 . 1 1 32 32 SER H H 32 8.564 8.564 8.615 -0.051 25443 7952 1 13 . 1 1 33 33 GLU N N 33 118.689 118.689 120.932 -2.243 25443 7953 1 13 . 1 1 33 33 GLU HA H 33 3.854 3.854 4.054 -0.200 25443 7954 1 13 . 1 1 33 33 GLU C C 33 176.471 176.471 177.974 -1.503 25443 7955 1 13 . 1 1 33 33 GLU CA C 33 57.997 57.997 58.517 -0.520 25443 7956 1 13 . 1 1 33 33 GLU CB C 33 29.503 29.503 29.590 -0.087 25443 7957 1 13 . 1 1 33 33 GLU H H 33 6.733 6.733 7.606 -0.873 25443 7958 1 13 . 1 1 34 34 TYR N N 34 111.313 111.313 117.117 -5.804 25443 7959 1 13 . 1 1 34 34 TYR HA H 34 4.469 4.469 4.422 0.047 25443 7960 1 13 . 1 1 34 34 TYR C C 34 174.351 174.351 176.054 -1.703 25443 7961 1 13 . 1 1 34 34 TYR CA C 34 57.940 57.940 58.829 -0.889 25443 7962 1 13 . 1 1 34 34 TYR CB C 34 39.557 39.557 38.734 0.823 25443 7963 1 13 . 1 1 34 34 TYR H H 34 6.662 6.662 7.928 -1.266 25443 7964 1 13 . 1 1 35 35 GLY N N 35 106.055 106.055 107.064 -1.009 25443 7965 1 13 . 1 1 35 35 GLY C C 35 170.709 170.709 174.160 -3.451 25443 7966 1 13 . 1 1 35 35 GLY CA C 35 45.230 45.230 45.271 -0.041 25443 7967 1 13 . 1 1 35 35 GLY H H 35 7.302 7.302 7.770 -0.468 25443 7968 1 13 . 1 1 36 36 VAL N N 36 121.596 121.596 115.644 5.952 25443 7969 1 13 . 1 1 36 36 VAL HA H 36 4.492 4.492 4.558 -0.066 25443 7970 1 13 . 1 1 36 36 VAL CA C 36 59.912 59.912 58.469 1.442 25443 7971 1 13 . 1 1 36 36 VAL CB C 36 33.632 33.632 32.834 0.798 25443 7972 1 13 . 1 1 36 36 VAL H H 36 8.595 8.595 7.463 1.133 25443 7973 1 13 . 1 1 37 37 PRO HA H 37 4.499 4.499 4.635 -0.136 25443 7974 1 13 . 1 1 37 37 PRO C C 37 176.150 176.150 176.149 0.001 25443 7975 1 13 . 1 1 37 37 PRO CA C 37 62.320 62.320 62.490 -0.170 25443 7976 1 13 . 1 1 37 37 PRO CB C 37 31.945 31.945 31.041 0.904 25443 7977 1 13 . 1 1 38 38 VAL N N 38 114.135 114.135 121.451 -7.316 25443 7978 1 13 . 1 1 38 38 VAL HA H 38 4.436 4.436 4.486 -0.050 25443 7979 1 13 . 1 1 38 38 VAL C C 38 175.124 175.124 175.335 -0.211 25443 7980 1 13 . 1 1 38 38 VAL CA C 38 60.488 60.488 59.241 1.247 25443 7981 1 13 . 1 1 38 38 VAL CB C 38 32.560 32.560 33.547 -0.987 25443 7982 1 13 . 1 1 38 38 VAL H H 38 9.006 9.006 7.714 1.292 25443 7983 1 13 . 1 1 39 39 ASP N N 39 118.095 118.095 121.901 -3.806 25443 7984 1 13 . 1 1 39 39 ASP HA H 39 4.626 4.626 4.578 0.048 25443 7985 1 13 . 1 1 39 39 ASP C C 39 174.577 174.577 174.377 0.200 25443 7986 1 13 . 1 1 39 39 ASP CA C 39 54.706 54.706 55.930 -1.224 25443 7987 1 13 . 1 1 39 39 ASP CB C 39 43.495 43.495 41.643 1.852 25443 7988 1 13 . 1 1 39 39 ASP H H 39 7.454 7.454 8.208 -0.754 25443 7989 1 13 . 1 1 40 40 VAL N N 40 121.566 121.566 122.619 -1.053 25443 7990 1 13 . 1 1 40 40 VAL HA H 40 4.897 4.897 4.563 0.334 25443 7991 1 13 . 1 1 40 40 VAL C C 40 170.928 170.928 174.139 -3.211 25443 7992 1 13 . 1 1 40 40 VAL CA C 40 60.729 60.729 60.303 0.426 25443 7993 1 13 . 1 1 40 40 VAL CB C 40 34.373 34.373 34.404 -0.031 25443 7994 1 13 . 1 1 40 40 VAL H H 40 7.576 7.576 8.353 -0.777 25443 7995 1 13 . 1 1 41 41 ILE N N 41 125.247 125.247 129.819 -4.572 25443 7996 1 13 . 1 1 41 41 ILE HA H 41 4.752 4.752 4.346 0.406 25443 7997 1 13 . 1 1 41 41 ILE C C 41 175.440 175.440 174.088 1.352 25443 7998 1 13 . 1 1 41 41 ILE CA C 41 61.609 61.609 60.038 1.571 25443 7999 1 13 . 1 1 41 41 ILE H H 41 8.929 8.929 9.192 -0.263 25443 8000 1 13 . 1 1 42 42 LEU N N 42 128.791 128.791 128.337 0.454 25443 8001 1 13 . 1 1 42 42 LEU HA H 42 4.387 4.387 4.561 -0.174 25443 8002 1 13 . 1 1 42 42 LEU C C 42 174.979 174.979 175.644 -0.665 25443 8003 1 13 . 1 1 42 42 LEU CA C 42 53.345 53.345 53.657 -0.312 25443 8004 1 13 . 1 1 42 42 LEU CB C 42 43.298 43.298 43.858 -0.560 25443 8005 1 13 . 1 1 42 42 LEU H H 42 8.309 8.309 8.725 -0.416 25443 8006 1 13 . 1 1 43 43 SER N N 43 122.753 122.753 122.261 0.492 25443 8007 1 13 . 1 1 43 43 SER HA H 43 3.821 3.821 4.350 -0.529 25443 8008 1 13 . 1 1 43 43 SER C C 43 173.870 173.870 173.503 0.367 25443 8009 1 13 . 1 1 43 43 SER CA C 43 59.707 59.707 58.777 0.930 25443 8010 1 13 . 1 1 43 43 SER CB C 43 62.714 62.714 63.109 -0.395 25443 8011 1 13 . 1 1 43 43 SER H H 43 8.317 8.317 8.180 0.137 25443 8012 1 13 . 1 1 44 44 ARG N N 44 128.068 128.068 126.302 1.766 25443 8013 1 13 . 1 1 44 44 ARG HA H 44 4.763 4.763 5.423 -0.660 25443 8014 1 13 . 1 1 44 44 ARG C C 44 175.094 175.094 175.513 -0.419 25443 8015 1 13 . 1 1 44 44 ARG CA C 44 54.100 54.100 53.527 0.573 25443 8016 1 13 . 1 1 44 44 ARG CB C 44 34.218 34.218 33.772 0.446 25443 8017 1 13 . 1 1 44 44 ARG H H 44 8.152 8.152 8.394 -0.242 25443 8018 1 13 . 1 1 45 45 ASP N N 45 123.595 123.595 120.718 2.877 25443 8019 1 13 . 1 1 45 45 ASP HA H 45 4.172 4.172 4.770 -0.598 25443 8020 1 13 . 1 1 45 45 ASP C C 45 177.467 177.467 176.355 1.112 25443 8021 1 13 . 1 1 45 45 ASP CA C 45 54.898 54.898 53.167 1.731 25443 8022 1 13 . 1 1 45 45 ASP CB C 45 43.568 43.568 43.007 0.561 25443 8023 1 13 . 1 1 45 45 ASP H H 45 8.628 8.628 8.313 0.315 25443 8024 1 13 . 1 1 46 46 GLU N N 46 125.161 125.161 119.550 5.611 25443 8025 1 13 . 1 1 46 46 GLU HA H 46 3.843 3.843 4.188 -0.345 25443 8026 1 13 . 1 1 46 46 GLU C C 46 175.690 175.690 176.938 -1.248 25443 8027 1 13 . 1 1 46 46 GLU CA C 46 58.861 58.861 57.834 1.027 25443 8028 1 13 . 1 1 46 46 GLU CB C 46 29.636 29.636 29.876 -0.240 25443 8029 1 13 . 1 1 46 46 GLU H H 46 9.013 9.013 8.827 0.186 25443 8030 1 13 . 1 1 47 47 ASN N N 47 115.135 115.135 117.485 -2.350 25443 8031 1 13 . 1 1 47 47 ASN HA H 47 4.842 4.842 4.762 0.080 25443 8032 1 13 . 1 1 47 47 ASN C C 47 176.655 176.655 176.656 -0.001 25443 8033 1 13 . 1 1 47 47 ASN CA C 47 54.897 54.897 55.129 -0.232 25443 8034 1 13 . 1 1 47 47 ASN CB C 47 40.141 40.141 39.182 0.959 25443 8035 1 13 . 1 1 47 47 ASN H H 47 8.926 8.926 8.379 0.547 25443 8036 1 13 . 1 1 48 48 THR N N 48 107.544 107.544 111.543 -3.999 25443 8037 1 13 . 1 1 48 48 THR HA H 48 4.400 4.400 4.503 -0.103 25443 8038 1 13 . 1 1 48 48 THR C C 48 176.484 176.484 175.314 1.170 25443 8039 1 13 . 1 1 48 48 THR CA C 48 61.513 61.513 62.459 -0.946 25443 8040 1 13 . 1 1 48 48 THR CB C 48 71.189 71.189 70.297 0.892 25443 8041 1 13 . 1 1 48 48 THR H H 48 8.455 8.455 8.699 -0.244 25443 8042 1 13 . 1 1 49 49 GLY N N 49 111.753 111.753 110.349 1.404 25443 8043 1 13 . 1 1 49 49 GLY C C 49 173.167 173.167 174.080 -0.913 25443 8044 1 13 . 1 1 49 49 GLY CA C 49 45.628 45.628 44.629 0.999 25443 8045 1 13 . 1 1 49 49 GLY H H 49 8.607 8.607 8.523 0.084 25443 8046 1 13 . 1 1 50 50 GLU N N 50 119.978 119.978 120.233 -0.255 25443 8047 1 13 . 1 1 50 50 GLU HA H 50 4.071 4.071 4.670 -0.599 25443 8048 1 13 . 1 1 50 50 GLU C C 50 176.629 176.629 176.250 0.379 25443 8049 1 13 . 1 1 50 50 GLU CA C 50 56.500 56.500 54.603 1.897 25443 8050 1 13 . 1 1 50 50 GLU CB C 50 30.927 30.927 31.924 -0.997 25443 8051 1 13 . 1 1 50 50 GLU H H 50 7.796 7.796 9.132 -1.336 25443 8052 1 13 . 1 1 51 51 SER N N 51 115.672 115.672 116.910 -1.238 25443 8053 1 13 . 1 1 51 51 SER HA H 51 4.205 4.205 4.644 -0.439 25443 8054 1 13 . 1 1 51 51 SER C C 51 176.532 176.532 175.021 1.511 25443 8055 1 13 . 1 1 51 51 SER CA C 51 58.320 58.320 59.409 -1.089 25443 8056 1 13 . 1 1 51 51 SER CB C 51 64.596 64.596 63.129 1.467 25443 8057 1 13 . 1 1 51 51 SER H H 51 8.889 8.889 8.569 0.320 25443 8058 1 13 . 1 1 52 52 GLN N N 52 123.139 123.139 125.822 -2.683 25443 8059 1 13 . 1 1 52 52 GLN HA H 52 4.421 4.421 4.173 0.248 25443 8060 1 13 . 1 1 52 52 GLN C C 52 177.396 177.396 176.654 0.742 25443 8061 1 13 . 1 1 52 52 GLN CA C 52 55.051 55.051 56.282 -1.231 25443 8062 1 13 . 1 1 52 52 GLN CB C 52 29.874 29.874 28.604 1.270 25443 8063 1 13 . 1 1 52 52 GLN H H 52 9.078 9.078 8.642 0.436 25443 8064 1 13 . 1 1 53 53 GLY N N 53 105.904 105.904 107.037 -1.133 25443 8065 1 13 . 1 1 53 53 GLY C C 53 172.046 172.046 172.978 -0.932 25443 8066 1 13 . 1 1 53 53 GLY CA C 53 46.550 46.550 44.884 1.666 25443 8067 1 13 . 1 1 53 53 GLY H H 53 8.851 8.851 8.454 0.397 25443 8068 1 13 . 1 1 54 54 PHE N N 54 111.888 111.888 112.303 -0.415 25443 8069 1 13 . 1 1 54 54 PHE HA H 54 5.253 5.253 5.190 0.063 25443 8070 1 13 . 1 1 54 54 PHE C C 54 171.570 171.570 172.672 -1.102 25443 8071 1 13 . 1 1 54 54 PHE CA C 54 55.592 55.592 55.097 0.495 25443 8072 1 13 . 1 1 54 54 PHE CB C 54 40.806 40.806 40.520 0.285 25443 8073 1 13 . 1 1 54 54 PHE H H 54 6.827 6.827 6.924 -0.097 25443 8074 1 13 . 1 1 55 55 ALA N N 55 121.888 121.888 120.248 1.640 25443 8075 1 13 . 1 1 55 55 ALA HA H 55 5.032 5.032 4.686 0.346 25443 8076 1 13 . 1 1 55 55 ALA C C 55 172.957 172.957 174.269 -1.312 25443 8077 1 13 . 1 1 55 55 ALA CA C 55 49.477 49.477 50.583 -1.106 25443 8078 1 13 . 1 1 55 55 ALA H H 55 8.927 8.927 8.205 0.722 25443 8079 1 13 . 1 1 56 56 TYR N N 56 115.049 115.049 115.502 -0.453 25443 8080 1 13 . 1 1 56 56 TYR HA H 56 5.602 5.602 5.770 -0.168 25443 8081 1 13 . 1 1 56 56 TYR C C 56 175.162 175.162 174.211 0.951 25443 8082 1 13 . 1 1 56 56 TYR CA C 56 55.444 55.444 56.537 -1.093 25443 8083 1 13 . 1 1 56 56 TYR CB C 56 42.189 42.189 42.812 -0.623 25443 8084 1 13 . 1 1 56 56 TYR H H 56 9.020 9.020 8.975 0.045 25443 8085 1 13 . 1 1 57 57 LEU N N 57 122.745 122.745 122.664 0.081 25443 8086 1 13 . 1 1 57 57 LEU HA H 57 4.713 4.713 5.047 -0.334 25443 8087 1 13 . 1 1 57 57 LEU C C 57 172.371 172.371 174.771 -2.400 25443 8088 1 13 . 1 1 57 57 LEU CA C 57 54.712 54.712 53.796 0.916 25443 8089 1 13 . 1 1 57 57 LEU CB C 57 46.754 46.754 45.987 0.767 25443 8090 1 13 . 1 1 57 57 LEU H H 57 8.706 8.706 8.614 0.092 25443 8091 1 13 . 1 1 58 58 LYS N N 58 125.469 125.469 126.570 -1.101 25443 8092 1 13 . 1 1 58 58 LYS HA H 58 4.467 4.467 4.722 -0.255 25443 8093 1 13 . 1 1 58 58 LYS C C 58 175.152 175.152 174.245 0.907 25443 8094 1 13 . 1 1 58 58 LYS CA C 58 54.494 54.494 54.004 0.490 25443 8095 1 13 . 1 1 58 58 LYS CB C 58 36.479 36.479 34.626 1.853 25443 8096 1 13 . 1 1 58 58 LYS H H 58 7.948 7.948 8.935 -0.987 25443 8097 1 13 . 1 1 59 59 TYR N N 59 126.261 126.261 123.304 2.957 25443 8098 1 13 . 1 1 59 59 TYR HA H 59 5.003 5.003 4.827 0.176 25443 8099 1 13 . 1 1 59 59 TYR C C 59 176.020 176.020 173.967 2.053 25443 8100 1 13 . 1 1 59 59 TYR CA C 59 57.992 57.992 55.340 2.652 25443 8101 1 13 . 1 1 59 59 TYR CB C 59 41.715 41.715 40.466 1.249 25443 8102 1 13 . 1 1 59 59 TYR H H 59 8.957 8.957 7.378 1.579 25443 8103 1 13 . 1 1 60 60 GLU N N 60 120.342 120.342 121.819 -1.477 25443 8104 1 13 . 1 1 60 60 GLU HA H 60 3.839 3.839 4.412 -0.573 25443 8105 1 13 . 1 1 60 60 GLU C C 60 175.346 175.346 175.414 -0.068 25443 8106 1 13 . 1 1 60 60 GLU CA C 60 59.057 59.057 56.321 2.736 25443 8107 1 13 . 1 1 60 60 GLU CB C 60 30.653 30.653 30.167 0.486 25443 8108 1 13 . 1 1 60 60 GLU H H 60 8.845 8.845 8.699 0.146 25443 8109 1 13 . 1 1 61 61 ASP N N 61 116.193 116.193 125.494 -9.301 25443 8110 1 13 . 1 1 61 61 ASP HA H 61 4.915 4.915 4.662 0.253 25443 8111 1 13 . 1 1 61 61 ASP C C 61 176.659 176.659 175.285 1.374 25443 8112 1 13 . 1 1 61 61 ASP CA C 61 51.856 51.856 54.614 -2.758 25443 8113 1 13 . 1 1 61 61 ASP CB C 61 43.726 43.726 42.764 0.962 25443 8114 1 13 . 1 1 61 61 ASP H H 61 7.922 7.922 8.469 -0.546 25443 8115 1 13 . 1 1 62 62 GLN N N 62 125.812 125.812 125.171 0.641 25443 8116 1 13 . 1 1 62 62 GLN HA H 62 4.221 4.221 4.138 0.083 25443 8117 1 13 . 1 1 62 62 GLN C C 62 178.430 178.430 177.551 0.879 25443 8118 1 13 . 1 1 62 62 GLN CA C 62 58.449 58.449 59.116 -0.667 25443 8119 1 13 . 1 1 62 62 GLN CB C 62 28.076 28.076 29.126 -1.050 25443 8120 1 13 . 1 1 62 62 GLN H H 62 8.964 8.964 8.764 0.200 25443 8121 1 13 . 1 1 63 63 ARG N N 63 120.943 120.943 118.939 2.004 25443 8122 1 13 . 1 1 63 63 ARG HA H 63 3.979 3.979 4.160 -0.181 25443 8123 1 13 . 1 1 63 63 ARG C C 63 179.350 179.350 178.697 0.653 25443 8124 1 13 . 1 1 63 63 ARG CA C 63 59.398 59.398 59.053 0.345 25443 8125 1 13 . 1 1 63 63 ARG CB C 63 29.466 29.466 29.510 -0.044 25443 8126 1 13 . 1 1 63 63 ARG H H 63 8.965 8.965 8.325 0.640 25443 8127 1 13 . 1 1 64 64 SER N N 64 115.358 115.358 115.852 -0.494 25443 8128 1 13 . 1 1 64 64 SER HA H 64 3.898 3.898 4.473 -0.575 25443 8129 1 13 . 1 1 64 64 SER C C 64 174.444 174.444 176.112 -1.668 25443 8130 1 13 . 1 1 64 64 SER CA C 64 62.459 62.459 61.785 0.674 25443 8131 1 13 . 1 1 64 64 SER CB C 64 62.040 62.040 62.570 -0.530 25443 8132 1 13 . 1 1 64 64 SER H H 64 8.065 8.065 9.288 -1.223 25443 8133 1 13 . 1 1 65 65 THR N N 65 113.614 113.614 116.953 -3.339 25443 8134 1 13 . 1 1 65 65 THR HA H 65 3.751 3.751 4.478 -0.727 25443 8135 1 13 . 1 1 65 65 THR C C 65 175.357 175.357 176.447 -1.090 25443 8136 1 13 . 1 1 65 65 THR CA C 65 66.292 66.292 65.262 1.030 25443 8137 1 13 . 1 1 65 65 THR CB C 65 68.457 68.457 68.775 -0.317 25443 8138 1 13 . 1 1 65 65 THR H H 65 7.484 7.484 7.850 -0.366 25443 8139 1 13 . 1 1 66 66 ILE N N 66 120.736 120.736 122.838 -2.102 25443 8140 1 13 . 1 1 66 66 ILE HA H 66 3.653 3.653 4.145 -0.492 25443 8141 1 13 . 1 1 66 66 ILE C C 66 177.518 177.518 178.051 -0.533 25443 8142 1 13 . 1 1 66 66 ILE CA C 66 64.014 64.014 65.241 -1.227 25443 8143 1 13 . 1 1 66 66 ILE CB C 66 42.194 42.194 37.741 4.453 25443 8144 1 13 . 1 1 66 66 ILE H H 66 6.976 6.976 7.489 -0.513 25443 8145 1 13 . 1 1 67 67 LEU N N 67 117.584 117.584 121.122 -3.538 25443 8146 1 13 . 1 1 67 67 LEU HA H 67 3.921 3.921 4.012 -0.091 25443 8147 1 13 . 1 1 67 67 LEU C C 67 179.650 179.650 178.444 1.206 25443 8148 1 13 . 1 1 67 67 LEU CA C 67 57.452 57.452 58.127 -0.675 25443 8149 1 13 . 1 1 67 67 LEU CB C 67 42.172 42.172 42.098 0.074 25443 8150 1 13 . 1 1 67 67 LEU H H 67 7.006 7.006 8.300 -1.294 25443 8151 1 13 . 1 1 68 68 ALA N N 68 121.025 121.025 121.331 -0.306 25443 8152 1 13 . 1 1 68 68 ALA HA H 68 3.285 3.285 4.136 -0.851 25443 8153 1 13 . 1 1 68 68 ALA C C 68 179.216 179.216 179.979 -0.763 25443 8154 1 13 . 1 1 68 68 ALA CA C 68 55.564 55.564 55.050 0.514 25443 8155 1 13 . 1 1 68 68 ALA CB C 68 18.852 18.852 18.237 0.615 25443 8156 1 13 . 1 1 68 68 ALA H H 68 8.121 8.121 8.212 -0.091 25443 8157 1 13 . 1 1 69 69 VAL N N 69 117.799 117.799 118.409 -0.610 25443 8158 1 13 . 1 1 69 69 VAL HA H 69 3.243 3.243 3.653 -0.410 25443 8159 1 13 . 1 1 69 69 VAL C C 69 178.541 178.541 178.072 0.469 25443 8160 1 13 . 1 1 69 69 VAL CA C 69 67.237 67.237 67.645 -0.408 25443 8161 1 13 . 1 1 69 69 VAL CB C 69 31.679 31.679 31.874 -0.195 25443 8162 1 13 . 1 1 69 69 VAL H H 69 8.012 8.012 7.719 0.293 25443 8163 1 13 . 1 1 70 70 ASP N N 70 117.013 117.013 117.586 -0.573 25443 8164 1 13 . 1 1 70 70 ASP HA H 70 4.339 4.339 4.440 -0.101 25443 8165 1 13 . 1 1 70 70 ASP C C 70 178.330 178.330 177.575 0.755 25443 8166 1 13 . 1 1 70 70 ASP CA C 70 57.131 57.131 57.074 0.057 25443 8167 1 13 . 1 1 70 70 ASP CB C 70 40.465 40.465 41.349 -0.884 25443 8168 1 13 . 1 1 70 70 ASP H H 70 8.216 8.216 8.227 -0.011 25443 8169 1 13 . 1 1 71 71 ASN N N 71 112.777 112.777 116.399 -3.622 25443 8170 1 13 . 1 1 71 71 ASN HA H 71 4.587 4.587 4.650 -0.063 25443 8171 1 13 . 1 1 71 71 ASN C C 71 176.314 176.314 177.032 -0.718 25443 8172 1 13 . 1 1 71 71 ASN CA C 71 55.474 55.474 55.284 0.190 25443 8173 1 13 . 1 1 71 71 ASN CB C 71 40.592 40.592 39.392 1.200 25443 8174 1 13 . 1 1 71 71 ASN H H 71 7.582 7.582 8.283 -0.701 25443 8175 1 13 . 1 1 72 72 LEU N N 72 116.551 116.551 118.228 -1.677 25443 8176 1 13 . 1 1 72 72 LEU HA H 72 4.494 4.494 4.394 0.100 25443 8177 1 13 . 1 1 72 72 LEU C C 72 177.500 177.500 176.606 0.894 25443 8178 1 13 . 1 1 72 72 LEU CA C 72 54.590 54.590 55.046 -0.456 25443 8179 1 13 . 1 1 72 72 LEU CB C 72 42.862 42.862 42.587 0.275 25443 8180 1 13 . 1 1 72 72 LEU H H 72 8.201 8.201 8.057 0.144 25443 8181 1 13 . 1 1 73 73 ASN N N 73 118.974 118.974 118.761 0.213 25443 8182 1 13 . 1 1 73 73 ASN HA H 73 4.392 4.392 4.872 -0.480 25443 8183 1 13 . 1 1 73 73 ASN C C 73 177.151 177.151 176.608 0.543 25443 8184 1 13 . 1 1 73 73 ASN CA C 73 56.276 56.276 54.771 1.505 25443 8185 1 13 . 1 1 73 73 ASN CB C 73 38.853 38.853 37.975 0.878 25443 8186 1 13 . 1 1 73 73 ASN H H 73 7.406 7.406 7.888 -0.482 25443 8187 1 13 . 1 1 74 74 GLY N N 74 116.478 116.478 114.437 2.041 25443 8188 1 13 . 1 1 74 74 GLY C C 74 172.756 172.756 174.031 -1.275 25443 8189 1 13 . 1 1 74 74 GLY CA C 74 45.662 45.662 45.043 0.619 25443 8190 1 13 . 1 1 74 74 GLY H H 74 9.106 9.106 8.965 0.141 25443 8191 1 13 . 1 1 75 75 PHE N N 75 123.853 123.853 122.383 1.470 25443 8192 1 13 . 1 1 75 75 PHE HA H 75 4.328 4.328 4.488 -0.160 25443 8193 1 13 . 1 1 75 75 PHE C C 75 175.065 175.065 174.673 0.392 25443 8194 1 13 . 1 1 75 75 PHE CA C 75 58.371 58.371 57.823 0.548 25443 8195 1 13 . 1 1 75 75 PHE CB C 75 40.947 40.947 40.273 0.674 25443 8196 1 13 . 1 1 75 75 PHE H H 75 8.074 8.074 7.989 0.085 25443 8197 1 13 . 1 1 76 76 LYS N N 76 126.700 126.700 127.077 -0.377 25443 8198 1 13 . 1 1 76 76 LYS HA H 76 4.536 4.536 4.785 -0.249 25443 8199 1 13 . 1 1 76 76 LYS C C 76 175.395 175.395 175.539 -0.144 25443 8200 1 13 . 1 1 76 76 LYS CA C 76 56.227 56.227 55.047 1.181 25443 8201 1 13 . 1 1 76 76 LYS CB C 76 32.969 32.969 32.376 0.593 25443 8202 1 13 . 1 1 76 76 LYS H H 76 7.766 7.766 7.776 -0.010 25443 8203 1 13 . 1 1 77 77 ILE N N 77 120.686 120.686 125.374 -4.688 25443 8204 1 13 . 1 1 77 77 ILE HA H 77 4.231 4.231 4.104 0.128 25443 8205 1 13 . 1 1 77 77 ILE C C 77 177.605 177.605 176.252 1.353 25443 8206 1 13 . 1 1 77 77 ILE CA C 77 59.981 59.981 59.896 0.085 25443 8207 1 13 . 1 1 77 77 ILE CB C 77 40.409 40.409 38.647 1.762 25443 8208 1 13 . 1 1 77 77 ILE H H 77 8.005 8.005 8.968 -0.963 25443 8209 1 13 . 1 1 78 78 GLY N N 78 118.352 118.352 117.034 1.318 25443 8210 1 13 . 1 1 78 78 GLY C C 78 175.639 175.639 175.009 0.630 25443 8211 1 13 . 1 1 78 78 GLY CA C 78 47.227 47.227 45.881 1.346 25443 8212 1 13 . 1 1 78 78 GLY H H 78 9.800 9.800 8.969 0.831 25443 8213 1 13 . 1 1 79 79 GLY N N 79 104.167 104.167 104.305 -0.138 25443 8214 1 13 . 1 1 79 79 GLY C C 79 173.371 173.371 174.487 -1.116 25443 8215 1 13 . 1 1 79 79 GLY CA C 79 45.037 45.037 44.928 0.109 25443 8216 1 13 . 1 1 79 79 GLY H H 79 8.795 8.795 8.299 0.496 25443 8217 1 13 . 1 1 80 80 ARG N N 80 119.090 119.090 121.667 -2.577 25443 8218 1 13 . 1 1 80 80 ARG HA H 80 4.590 4.590 4.747 -0.157 25443 8219 1 13 . 1 1 80 80 ARG C C 80 174.563 174.563 174.573 -0.010 25443 8220 1 13 . 1 1 80 80 ARG CA C 80 54.615 54.615 53.452 1.163 25443 8221 1 13 . 1 1 80 80 ARG CB C 80 33.487 33.487 31.764 1.723 25443 8222 1 13 . 1 1 80 80 ARG H H 80 7.281 7.281 7.738 -0.457 25443 8223 1 13 . 1 1 81 81 ALA N N 81 126.039 126.039 125.796 0.243 25443 8224 1 13 . 1 1 81 81 ALA HA H 81 4.216 4.216 5.093 -0.877 25443 8225 1 13 . 1 1 81 81 ALA C C 81 177.149 177.149 177.319 -0.170 25443 8226 1 13 . 1 1 81 81 ALA CA C 81 51.081 51.081 50.547 0.534 25443 8227 1 13 . 1 1 81 81 ALA CB C 81 19.226 19.226 20.007 -0.781 25443 8228 1 13 . 1 1 81 81 ALA H H 81 8.651 8.651 8.488 0.163 25443 8229 1 13 . 1 1 82 82 LEU N N 82 125.451 125.451 125.598 -0.147 25443 8230 1 13 . 1 1 82 82 LEU HA H 82 4.390 4.390 4.360 0.030 25443 8231 1 13 . 1 1 82 82 LEU C C 82 177.498 177.498 176.542 0.956 25443 8232 1 13 . 1 1 82 82 LEU CA C 82 56.065 56.065 54.466 1.599 25443 8233 1 13 . 1 1 82 82 LEU CB C 82 43.267 43.267 41.883 1.384 25443 8234 1 13 . 1 1 82 82 LEU H H 82 8.805 8.805 8.937 -0.132 25443 8235 1 13 . 1 1 83 83 LYS N N 83 123.253 123.253 126.779 -3.526 25443 8236 1 13 . 1 1 83 83 LYS C C 83 174.892 174.892 175.558 -0.666 25443 8237 1 13 . 1 1 83 83 LYS CA C 83 54.892 54.892 55.517 -0.626 25443 8238 1 13 . 1 1 83 83 LYS H H 83 7.768 7.768 8.404 -0.636 25443 8239 1 13 . 1 1 84 84 ILE N N 84 125.577 125.577 125.297 0.280 25443 8240 1 13 . 1 1 84 84 ILE HA H 84 5.581 5.581 5.525 0.056 25443 8241 1 13 . 1 1 84 84 ILE C C 84 174.901 174.901 175.779 -0.878 25443 8242 1 13 . 1 1 84 84 ILE CA C 84 58.803 58.803 57.991 0.812 25443 8243 1 13 . 1 1 84 84 ILE CB C 84 40.306 40.306 39.017 1.289 25443 8244 1 13 . 1 1 84 84 ILE H H 84 8.616 8.616 8.622 -0.006 25443 8245 1 13 . 1 1 85 85 ASP N N 85 125.373 125.373 124.925 0.448 25443 8246 1 13 . 1 1 85 85 ASP HA H 85 4.909 4.909 4.966 -0.057 25443 8247 1 13 . 1 1 85 85 ASP C C 85 174.826 174.826 174.660 0.166 25443 8248 1 13 . 1 1 85 85 ASP CA C 85 52.372 52.372 52.583 -0.210 25443 8249 1 13 . 1 1 85 85 ASP CB C 85 45.290 45.290 44.436 0.854 25443 8250 1 13 . 1 1 85 85 ASP H H 85 8.907 8.907 8.546 0.361 25443 8251 1 13 . 1 1 86 86 HIS N N 86 121.396 121.396 122.809 -1.413 25443 8252 1 13 . 1 1 86 86 HIS CA C 86 57.540 57.540 57.332 0.208 25443 8253 1 13 . 1 1 86 86 HIS CB C 86 30.985 30.985 30.353 0.632 25443 8254 1 13 . 1 1 86 86 HIS H H 86 8.970 8.970 8.867 0.103 25443 8255 1 13 . 1 1 87 87 THR N N 87 116.761 116.761 119.990 -3.229 25443 8256 1 13 . 1 1 87 87 THR HA H 87 4.652 4.652 4.602 0.050 25443 8257 1 13 . 1 1 87 87 THR C C 87 171.272 171.272 172.566 -1.294 25443 8258 1 13 . 1 1 87 87 THR CA C 87 60.710 60.710 61.145 -0.435 25443 8259 1 13 . 1 1 87 87 THR CB C 87 69.764 69.764 70.478 -0.714 25443 8260 1 13 . 1 1 87 87 THR H H 87 8.557 8.557 8.407 0.150 25443 8261 1 13 . 1 1 88 88 PHE N N 88 120.343 120.343 121.695 -1.352 25443 8262 1 13 . 1 1 88 88 PHE HA H 88 5.273 5.273 5.051 0.222 25443 8263 1 13 . 1 1 88 88 PHE C C 88 174.288 174.288 173.253 1.035 25443 8264 1 13 . 1 1 88 88 PHE CA C 88 55.959 55.959 55.970 -0.011 25443 8265 1 13 . 1 1 88 88 PHE CB C 88 41.079 41.079 40.935 0.144 25443 8266 1 13 . 1 1 88 88 PHE H H 88 8.114 8.114 8.148 -0.034 25443 8267 1 13 . 1 1 89 89 TYR N N 89 123.043 123.043 124.346 -1.303 25443 8268 1 13 . 1 1 89 89 TYR HA H 89 4.026 4.026 4.100 -0.074 25443 8269 1 13 . 1 1 89 89 TYR C C 89 173.155 173.155 173.159 -0.004 25443 8270 1 13 . 1 1 89 89 TYR CA C 89 57.493 57.493 56.537 0.956 25443 8271 1 13 . 1 1 89 89 TYR CB C 89 39.829 39.829 40.445 -0.616 25443 8272 1 13 . 1 1 89 89 TYR H H 89 8.176 8.176 7.667 0.509 25443 8273 1 13 . 1 1 90 90 ARG N N 90 129.004 129.004 129.164 -0.160 25443 8274 1 13 . 1 1 90 90 ARG HA H 90 4.398 4.398 4.478 -0.080 25443 8275 1 13 . 1 1 90 90 ARG CA C 90 51.548 51.548 52.222 -0.674 25443 8276 1 13 . 1 1 90 90 ARG CB C 90 30.882 30.882 31.596 -0.714 25443 8277 1 13 . 1 1 90 90 ARG H H 90 7.078 7.078 8.209 -1.131 25443 8278 1 13 . 1 1 91 91 PRO HA H 91 4.155 4.155 4.279 -0.124 25443 8279 1 13 . 1 1 91 91 PRO C C 91 176.340 176.340 175.972 0.368 25443 8280 1 13 . 1 1 91 91 PRO CA C 91 62.454 62.454 61.923 0.531 25443 8281 1 13 . 1 1 91 91 PRO CB C 91 33.072 33.072 32.541 0.531 25443 8282 1 13 . 1 1 92 92 LYS N N 92 119.682 119.682 119.228 0.454 25443 8283 1 13 . 1 1 92 92 LYS CA C 92 54.711 54.711 54.099 0.612 25443 8284 1 13 . 1 1 92 92 LYS H H 92 8.644 8.644 8.565 0.079 25443 8285 1 13 . 1 1 93 93 ARG C C 93 178.899 178.899 177.769 1.130 25443 8286 1 13 . 1 1 93 93 ARG CA C 93 59.125 59.125 58.784 0.341 25443 8287 1 13 . 1 1 94 94 SER N N 94 112.166 112.166 115.725 -3.559 25443 8288 1 13 . 1 1 94 94 SER HA H 94 4.176 4.176 4.372 -0.196 25443 8289 1 13 . 1 1 94 94 SER C C 94 175.776 175.776 175.014 0.762 25443 8290 1 13 . 1 1 94 94 SER CA C 94 60.031 60.031 60.898 -0.868 25443 8291 1 13 . 1 1 94 94 SER CB C 94 62.152 62.152 63.029 -0.876 25443 8292 1 13 . 1 1 94 94 SER H H 94 8.299 8.299 8.221 0.078 25443 8293 1 13 . 1 1 95 95 LEU N N 95 122.179 122.179 120.237 1.942 25443 8294 1 13 . 1 1 95 95 LEU HA H 95 4.651 4.651 4.785 -0.134 25443 8295 1 13 . 1 1 95 95 LEU C C 95 175.381 175.381 177.501 -2.120 25443 8296 1 13 . 1 1 95 95 LEU CA C 95 53.934 53.934 53.442 0.492 25443 8297 1 13 . 1 1 95 95 LEU CB C 95 41.861 41.861 40.702 1.159 25443 8298 1 13 . 1 1 95 95 LEU H H 95 7.159 7.159 7.986 -0.827 25443 8299 1 13 . 1 1 96 96 GLN N N 96 118.834 118.834 120.503 -1.669 25443 8300 1 13 . 1 1 96 96 GLN HA H 96 4.030 4.030 4.172 -0.142 25443 8301 1 13 . 1 1 96 96 GLN C C 96 177.751 177.751 177.543 0.208 25443 8302 1 13 . 1 1 96 96 GLN CA C 96 60.705 60.705 58.996 1.709 25443 8303 1 13 . 1 1 96 96 GLN CB C 96 28.822 28.822 28.096 0.726 25443 8304 1 13 . 1 1 96 96 GLN H H 96 7.329 7.329 7.651 -0.322 25443 8305 1 13 . 1 1 97 97 LYS N N 97 116.469 116.469 120.732 -4.263 25443 8306 1 13 . 1 1 97 97 LYS HA H 97 4.060 4.060 4.245 -0.185 25443 8307 1 13 . 1 1 97 97 LYS C C 97 179.164 179.164 178.807 0.357 25443 8308 1 13 . 1 1 97 97 LYS CA C 97 59.430 59.430 59.657 -0.228 25443 8309 1 13 . 1 1 97 97 LYS CB C 97 31.511 31.511 31.723 -0.212 25443 8310 1 13 . 1 1 97 97 LYS H H 97 8.614 8.614 8.302 0.312 25443 8311 1 13 . 1 1 98 98 TYR N N 98 124.165 124.165 120.565 3.600 25443 8312 1 13 . 1 1 98 98 TYR HA H 98 4.079 4.079 4.128 -0.049 25443 8313 1 13 . 1 1 98 98 TYR C C 98 177.316 177.316 177.945 -0.629 25443 8314 1 13 . 1 1 98 98 TYR CA C 98 62.205 62.205 62.230 -0.025 25443 8315 1 13 . 1 1 98 98 TYR CB C 98 37.162 37.162 38.576 -1.414 25443 8316 1 13 . 1 1 98 98 TYR H H 98 7.585 7.585 7.791 -0.206 25443 8317 1 13 . 1 1 99 99 TYR N N 99 117.955 117.955 117.538 0.417 25443 8318 1 13 . 1 1 99 99 TYR HA H 99 5.078 5.078 4.269 0.809 25443 8319 1 13 . 1 1 99 99 TYR C C 99 180.957 180.957 178.509 2.448 25443 8320 1 13 . 1 1 99 99 TYR CA C 99 57.741 57.741 62.393 -4.652 25443 8321 1 13 . 1 1 99 99 TYR CB C 99 37.083 37.083 38.179 -1.096 25443 8322 1 13 . 1 1 99 99 TYR H H 99 8.660 8.660 8.020 0.640 25443 8323 1 13 . 1 1 100 100 GLU N N 100 118.796 118.796 119.814 -1.018 25443 8324 1 13 . 1 1 100 100 GLU HA H 100 4.024 4.024 3.953 0.071 25443 8325 1 13 . 1 1 100 100 GLU C C 100 178.571 178.571 178.866 -0.295 25443 8326 1 13 . 1 1 100 100 GLU CA C 100 59.400 59.400 59.584 -0.184 25443 8327 1 13 . 1 1 100 100 GLU CB C 100 29.660 29.660 29.498 0.162 25443 8328 1 13 . 1 1 100 100 GLU H H 100 8.263 8.263 8.754 -0.491 25443 8329 1 13 . 1 1 101 101 ALA N N 101 123.346 123.346 122.533 0.813 25443 8330 1 13 . 1 1 101 101 ALA HA H 101 4.244 4.244 4.047 0.197 25443 8331 1 13 . 1 1 101 101 ALA C C 101 181.331 181.331 179.872 1.459 25443 8332 1 13 . 1 1 101 101 ALA CA C 101 54.851 54.851 55.104 -0.253 25443 8333 1 13 . 1 1 101 101 ALA CB C 101 18.559 18.559 18.490 0.069 25443 8334 1 13 . 1 1 101 101 ALA H H 101 7.966 7.966 8.203 -0.237 25443 8335 1 13 . 1 1 102 102 VAL N N 102 120.241 120.241 119.032 1.209 25443 8336 1 13 . 1 1 102 102 VAL HA H 102 3.713 3.713 3.532 0.181 25443 8337 1 13 . 1 1 102 102 VAL C C 102 176.967 176.967 177.849 -0.882 25443 8338 1 13 . 1 1 102 102 VAL CA C 102 67.433 67.433 66.999 0.434 25443 8339 1 13 . 1 1 102 102 VAL CB C 102 31.721 31.721 31.445 0.276 25443 8340 1 13 . 1 1 102 102 VAL H H 102 8.331 8.331 7.754 0.577 25443 8341 1 13 . 1 1 103 103 LYS N N 103 120.001 120.001 120.332 -0.331 25443 8342 1 13 . 1 1 103 103 LYS HA H 103 3.859 3.859 3.895 -0.036 25443 8343 1 13 . 1 1 103 103 LYS C C 103 178.500 178.500 178.744 -0.244 25443 8344 1 13 . 1 1 103 103 LYS CA C 103 59.652 59.652 60.180 -0.528 25443 8345 1 13 . 1 1 103 103 LYS CB C 103 32.040 32.040 32.333 -0.293 25443 8346 1 13 . 1 1 103 103 LYS H H 103 8.201 8.201 7.912 0.289 25443 8347 1 13 . 1 1 104 104 GLU N N 104 116.335 116.335 118.021 -1.686 25443 8348 1 13 . 1 1 104 104 GLU HA H 104 3.928 3.928 4.019 -0.091 25443 8349 1 13 . 1 1 104 104 GLU C C 104 178.645 178.645 179.108 -0.463 25443 8350 1 13 . 1 1 104 104 GLU CA C 104 59.110 59.110 59.455 -0.345 25443 8351 1 13 . 1 1 104 104 GLU CB C 104 29.607 29.607 29.541 0.066 25443 8352 1 13 . 1 1 104 104 GLU H H 104 7.909 7.909 8.685 -0.776 25443 8353 1 13 . 1 1 105 105 GLU N N 105 119.210 119.210 119.816 -0.606 25443 8354 1 13 . 1 1 105 105 GLU HA H 105 3.844 3.844 4.125 -0.281 25443 8355 1 13 . 1 1 105 105 GLU C C 105 178.613 178.613 178.667 -0.054 25443 8356 1 13 . 1 1 105 105 GLU CA C 105 58.162 58.162 58.528 -0.366 25443 8357 1 13 . 1 1 105 105 GLU CB C 105 29.754 29.754 29.238 0.516 25443 8358 1 13 . 1 1 105 105 GLU H H 105 7.257 7.257 7.639 -0.382 25443 8359 1 13 . 1 1 106 106 LEU N N 106 117.408 117.408 120.948 -3.540 25443 8360 1 13 . 1 1 106 106 LEU HA H 106 3.976 3.976 3.986 -0.010 25443 8361 1 13 . 1 1 106 106 LEU C C 106 178.646 178.646 178.897 -0.251 25443 8362 1 13 . 1 1 106 106 LEU CA C 106 56.699 56.699 58.541 -1.842 25443 8363 1 13 . 1 1 106 106 LEU CB C 106 40.455 40.455 41.579 -1.124 25443 8364 1 13 . 1 1 106 106 LEU H H 106 8.169 8.169 8.020 0.149 25443 8365 1 13 . 1 1 107 107 ASP N N 107 119.073 119.073 118.913 0.160 25443 8366 1 13 . 1 1 107 107 ASP HA H 107 4.521 4.521 4.307 0.214 25443 8367 1 13 . 1 1 107 107 ASP C C 107 177.069 177.069 179.176 -2.107 25443 8368 1 13 . 1 1 107 107 ASP CA C 107 55.099 55.099 58.100 -3.002 25443 8369 1 13 . 1 1 107 107 ASP CB C 107 40.670 40.670 40.479 0.191 25443 8370 1 13 . 1 1 107 107 ASP H H 107 8.003 8.003 8.543 -0.539 25443 8371 1 13 . 1 1 108 108 ARG N N 108 120.705 120.705 117.925 2.780 25443 8372 1 13 . 1 1 108 108 ARG HA H 108 4.067 4.067 4.147 -0.080 25443 8373 1 13 . 1 1 108 108 ARG C C 108 176.990 176.990 178.378 -1.388 25443 8374 1 13 . 1 1 108 108 ARG CA C 108 57.517 57.517 58.812 -1.295 25443 8375 1 13 . 1 1 108 108 ARG CB C 108 30.407 30.407 30.306 0.101 25443 8376 1 13 . 1 1 108 108 ARG H H 108 7.603 7.603 7.609 -0.006 25443 8377 1 13 . 1 1 109 109 ASP N N 109 120.246 120.246 120.639 -0.393 25443 8378 1 13 . 1 1 109 109 ASP HA H 109 4.521 4.521 4.552 -0.031 25443 8379 1 13 . 1 1 109 109 ASP C C 109 176.630 176.630 178.007 -1.377 25443 8380 1 13 . 1 1 109 109 ASP CA C 109 55.028 55.028 56.943 -1.915 25443 8381 1 13 . 1 1 109 109 ASP CB C 109 40.936 40.936 40.932 0.004 25443 8382 1 13 . 1 1 109 109 ASP H H 109 8.226 8.226 7.742 0.484 25443 8383 1 13 . 1 1 110 110 ILE N N 110 120.386 120.386 120.579 -0.193 25443 8384 1 13 . 1 1 110 110 ILE HA H 110 3.987 3.987 3.708 0.279 25443 8385 1 13 . 1 1 110 110 ILE C C 110 176.996 176.996 177.796 -0.800 25443 8386 1 13 . 1 1 110 110 ILE CA C 110 62.241 62.241 65.179 -2.938 25443 8387 1 13 . 1 1 110 110 ILE CB C 110 38.359 38.359 37.995 0.364 25443 8388 1 13 . 1 1 110 110 ILE H H 110 7.863 7.863 8.248 -0.385 25443 8389 1 13 . 1 1 111 111 VAL N N 111 122.548 122.548 118.238 4.310 25443 8390 1 13 . 1 1 111 111 VAL HA H 111 3.946 3.946 3.928 0.018 25443 8391 1 13 . 1 1 111 111 VAL C C 111 176.938 176.938 175.761 1.177 25443 8392 1 13 . 1 1 111 111 VAL CA C 111 63.499 63.499 64.055 -0.556 25443 8393 1 13 . 1 1 111 111 VAL CB C 111 32.223 32.223 31.925 0.298 25443 8394 1 13 . 1 1 111 111 VAL H H 111 8.016 8.016 7.625 0.391 25443 8395 1 13 . 1 1 112 112 SER N N 112 117.984 117.984 114.046 3.938 25443 8396 1 13 . 1 1 112 112 SER HA H 112 4.317 4.317 4.190 0.127 25443 8397 1 13 . 1 1 112 112 SER C C 112 175.154 175.154 173.999 1.155 25443 8398 1 13 . 1 1 112 112 SER CA C 112 59.025 59.025 59.227 -0.202 25443 8399 1 13 . 1 1 112 112 SER CB C 112 63.419 63.419 62.814 0.605 25443 8400 1 13 . 1 1 112 112 SER H H 112 8.187 8.187 7.605 0.582 25443 8401 1 13 . 1 1 113 113 LYS N N 113 122.727 122.727 120.794 1.933 25443 8402 1 13 . 1 1 113 113 LYS HA H 113 4.209 4.209 3.870 0.339 25443 8403 1 13 . 1 1 113 113 LYS C C 113 176.713 176.713 175.298 1.415 25443 8404 1 13 . 1 1 113 113 LYS CA C 113 56.844 56.844 56.885 -0.041 25443 8405 1 13 . 1 1 113 113 LYS CB C 113 32.794 32.794 30.709 2.085 25443 8406 1 13 . 1 1 113 113 LYS H H 113 8.152 8.152 8.794 -0.642 25443 8407 1 13 . 1 1 114 114 ASN N N 114 118.886 118.886 113.730 5.156 25443 8408 1 13 . 1 1 114 114 ASN C C 114 175.227 175.227 175.214 0.013 25443 8409 1 13 . 1 1 114 114 ASN CA C 114 53.549 53.549 53.647 -0.098 25443 8410 1 13 . 1 1 114 114 ASN H H 114 8.261 8.261 8.069 0.192 25443 8411 1 13 . 1 1 115 115 ASN N N 115 119.345 119.345 119.080 0.265 25443 8412 1 13 . 1 1 115 115 ASN C C 115 174.896 174.896 175.108 -0.212 25443 8413 1 13 . 1 1 115 115 ASN CA C 115 53.476 53.476 55.190 -1.714 25443 8414 1 13 . 1 1 115 115 ASN H H 115 8.257 8.257 8.625 -0.368 25443 8415 1 13 . 1 1 116 116 ALA N N 116 123.669 123.669 121.353 2.316 25443 8416 1 13 . 1 1 116 116 ALA HA H 116 4.254 4.254 4.313 -0.059 25443 8417 1 13 . 1 1 116 116 ALA C C 116 177.567 177.567 175.531 2.036 25443 8418 1 13 . 1 1 116 116 ALA CA C 116 52.678 52.678 52.226 0.452 25443 8419 1 13 . 1 1 116 116 ALA CB C 116 19.243 19.243 19.646 -0.403 25443 8420 1 13 . 1 1 116 116 ALA H H 116 8.094 8.094 7.961 0.133 25443 8421 1 13 . 1 1 117 117 GLU N N 117 120.083 120.083 119.232 0.851 25443 8422 1 13 . 1 1 117 117 GLU C C 117 175.564 175.564 174.155 1.409 25443 8423 1 13 . 1 1 117 117 GLU CA C 117 56.602 56.602 55.883 0.719 25443 8424 1 13 . 1 1 117 117 GLU H H 117 8.221 8.221 8.506 -0.285 25443 8425 1 14 . 1 1 2 2 ALA HA H 2 4.286 4.286 4.371 -0.085 25443 8426 1 14 . 1 1 2 2 ALA C C 2 177.853 177.853 178.845 -0.992 25443 8427 1 14 . 1 1 2 2 ALA CA C 2 52.661 52.661 53.520 -0.860 25443 8428 1 14 . 1 1 2 2 ALA CB C 2 19.308 19.308 19.183 0.125 25443 8429 1 14 . 1 1 3 3 MET N N 3 119.404 119.404 117.240 2.164 25443 8430 1 14 . 1 1 3 3 MET HA H 3 4.435 4.435 4.467 -0.032 25443 8431 1 14 . 1 1 3 3 MET C C 3 176.731 176.731 176.650 0.081 25443 8432 1 14 . 1 1 3 3 MET CA C 3 55.503 55.503 55.306 0.197 25443 8433 1 14 . 1 1 3 3 MET CB C 3 32.795 32.795 33.270 -0.475 25443 8434 1 14 . 1 1 3 3 MET H H 3 8.530 8.530 8.004 0.526 25443 8435 1 14 . 1 1 4 4 GLY N N 4 109.968 109.968 107.519 2.449 25443 8436 1 14 . 1 1 4 4 GLY C C 4 174.057 174.057 174.047 0.010 25443 8437 1 14 . 1 1 4 4 GLY CA C 4 45.363 45.363 44.542 0.821 25443 8438 1 14 . 1 1 4 4 GLY H H 4 8.414 8.414 7.989 0.425 25443 8439 1 14 . 1 1 5 5 ASN N N 5 118.659 118.659 122.282 -3.623 25443 8440 1 14 . 1 1 5 5 ASN HA H 5 4.606 4.606 4.603 0.003 25443 8441 1 14 . 1 1 5 5 ASN C C 5 175.443 175.443 176.794 -1.351 25443 8442 1 14 . 1 1 5 5 ASN CA C 5 53.530 53.530 54.886 -1.356 25443 8443 1 14 . 1 1 5 5 ASN CB C 5 38.876 38.876 39.254 -0.378 25443 8444 1 14 . 1 1 5 5 ASN H H 5 8.326 8.326 8.723 -0.397 25443 8445 1 14 . 1 1 6 6 GLU N N 6 120.909 120.909 119.828 1.081 25443 8446 1 14 . 1 1 6 6 GLU HA H 6 4.097 4.097 4.017 0.080 25443 8447 1 14 . 1 1 6 6 GLU C C 6 176.261 176.261 176.619 -0.358 25443 8448 1 14 . 1 1 6 6 GLU CA C 6 57.171 57.171 58.555 -1.384 25443 8449 1 14 . 1 1 6 6 GLU CB C 6 29.715 29.715 29.756 -0.041 25443 8450 1 14 . 1 1 6 6 GLU H H 6 8.633 8.633 8.769 -0.136 25443 8451 1 14 . 1 1 7 7 TYR N N 7 120.283 120.283 119.085 1.198 25443 8452 1 14 . 1 1 7 7 TYR HA H 7 4.440 4.440 4.497 -0.057 25443 8453 1 14 . 1 1 7 7 TYR C C 7 175.789 175.789 175.194 0.595 25443 8454 1 14 . 1 1 7 7 TYR CA C 7 58.061 58.061 57.597 0.464 25443 8455 1 14 . 1 1 7 7 TYR CB C 7 38.193 38.193 37.671 0.522 25443 8456 1 14 . 1 1 7 7 TYR H H 7 8.069 8.069 8.081 -0.012 25443 8457 1 14 . 1 1 8 8 LYS N N 8 121.780 121.780 126.683 -4.903 25443 8458 1 14 . 1 1 8 8 LYS HA H 8 4.107 4.107 4.569 -0.462 25443 8459 1 14 . 1 1 8 8 LYS C C 8 175.970 175.970 176.071 -0.101 25443 8460 1 14 . 1 1 8 8 LYS CA C 8 56.550 56.550 55.439 1.111 25443 8461 1 14 . 1 1 8 8 LYS CB C 8 33.141 33.141 32.464 0.677 25443 8462 1 14 . 1 1 8 8 LYS H H 8 7.868 7.868 8.191 -0.323 25443 8463 1 14 . 1 1 9 9 ASP N N 9 119.825 119.825 121.112 -1.287 25443 8464 1 14 . 1 1 9 9 ASP HA H 9 4.577 4.577 4.528 0.049 25443 8465 1 14 . 1 1 9 9 ASP C C 9 175.979 175.979 175.913 0.066 25443 8466 1 14 . 1 1 9 9 ASP CA C 9 54.608 54.608 55.406 -0.798 25443 8467 1 14 . 1 1 9 9 ASP CB C 9 41.455 41.455 41.138 0.317 25443 8468 1 14 . 1 1 9 9 ASP H H 9 8.164 8.164 8.434 -0.270 25443 8469 1 14 . 1 1 10 10 ASN N N 10 119.410 119.410 116.738 2.672 25443 8470 1 14 . 1 1 10 10 ASN HA H 10 4.935 4.935 4.940 -0.005 25443 8471 1 14 . 1 1 10 10 ASN C C 10 174.654 174.654 174.438 0.216 25443 8472 1 14 . 1 1 10 10 ASN CA C 10 52.792 52.792 52.974 -0.182 25443 8473 1 14 . 1 1 10 10 ASN CB C 10 38.554 38.554 39.306 -0.752 25443 8474 1 14 . 1 1 10 10 ASN H H 10 8.284 8.284 8.198 0.086 25443 8475 1 14 . 1 1 11 11 ALA N N 11 122.716 122.716 123.814 -1.098 25443 8476 1 14 . 1 1 11 11 ALA HA H 11 4.521 4.521 4.436 0.085 25443 8477 1 14 . 1 1 11 11 ALA CA C 11 53.148 53.148 52.004 1.144 25443 8478 1 14 . 1 1 11 11 ALA CB C 11 19.223 19.223 18.695 0.528 25443 8479 1 14 . 1 1 11 11 ALA H H 11 8.260 8.260 7.012 1.248 25443 8480 1 14 . 1 1 12 12 TYR HA H 12 4.943 4.943 5.504 -0.561 25443 8481 1 14 . 1 1 12 12 TYR C C 12 177.075 177.075 174.926 2.149 25443 8482 1 14 . 1 1 12 12 TYR CA C 12 57.314 57.314 55.878 1.436 25443 8483 1 14 . 1 1 12 12 TYR CB C 12 42.614 42.614 42.592 0.022 25443 8484 1 14 . 1 1 13 13 ILE N N 13 114.211 114.211 119.100 -4.889 25443 8485 1 14 . 1 1 13 13 ILE HA H 13 4.981 4.981 4.938 0.043 25443 8486 1 14 . 1 1 13 13 ILE C C 13 174.500 174.500 174.470 0.030 25443 8487 1 14 . 1 1 13 13 ILE CA C 13 60.380 60.380 59.444 0.936 25443 8488 1 14 . 1 1 13 13 ILE CB C 13 39.792 39.792 39.593 0.199 25443 8489 1 14 . 1 1 13 13 ILE H H 13 9.358 9.358 8.920 0.438 25443 8490 1 14 . 1 1 14 14 TYR N N 14 124.891 124.891 129.417 -4.526 25443 8491 1 14 . 1 1 14 14 TYR HA H 14 4.579 4.579 4.890 -0.311 25443 8492 1 14 . 1 1 14 14 TYR C C 14 173.192 173.192 174.055 -0.863 25443 8493 1 14 . 1 1 14 14 TYR CA C 14 56.202 56.202 56.820 -0.618 25443 8494 1 14 . 1 1 14 14 TYR CB C 14 40.163 40.163 39.854 0.309 25443 8495 1 14 . 1 1 14 14 TYR H H 14 9.163 9.163 9.101 0.062 25443 8496 1 14 . 1 1 15 15 ILE N N 15 127.801 127.801 127.103 0.698 25443 8497 1 14 . 1 1 15 15 ILE HA H 15 4.210 4.210 4.901 -0.691 25443 8498 1 14 . 1 1 15 15 ILE C C 15 173.823 173.823 175.782 -1.959 25443 8499 1 14 . 1 1 15 15 ILE CA C 15 59.616 59.616 59.148 0.468 25443 8500 1 14 . 1 1 15 15 ILE CB C 15 39.735 39.735 40.813 -1.078 25443 8501 1 14 . 1 1 15 15 ILE H H 15 8.569 8.569 8.409 0.160 25443 8502 1 14 . 1 1 16 16 GLY N N 16 112.441 112.441 111.924 0.517 25443 8503 1 14 . 1 1 16 16 GLY C C 16 173.159 173.159 173.839 -0.680 25443 8504 1 14 . 1 1 16 16 GLY CA C 16 43.244 43.244 43.186 0.058 25443 8505 1 14 . 1 1 16 16 GLY H H 16 9.354 9.354 7.797 1.557 25443 8506 1 14 . 1 1 17 17 ASN N N 17 114.797 114.797 118.533 -3.736 25443 8507 1 14 . 1 1 17 17 ASN HA H 17 4.347 4.347 4.379 -0.032 25443 8508 1 14 . 1 1 17 17 ASN C C 17 174.834 174.834 175.351 -0.517 25443 8509 1 14 . 1 1 17 17 ASN CA C 17 53.214 53.214 54.387 -1.173 25443 8510 1 14 . 1 1 17 17 ASN CB C 17 37.826 37.826 37.609 0.216 25443 8511 1 14 . 1 1 17 17 ASN H H 17 8.552 8.552 8.581 -0.029 25443 8512 1 14 . 1 1 18 18 LEU N N 18 114.526 114.526 124.125 -9.599 25443 8513 1 14 . 1 1 18 18 LEU HA H 18 3.994 3.994 4.495 -0.501 25443 8514 1 14 . 1 1 18 18 LEU C C 18 177.948 177.948 175.658 2.290 25443 8515 1 14 . 1 1 18 18 LEU CA C 18 53.772 53.772 53.117 0.655 25443 8516 1 14 . 1 1 18 18 LEU CB C 18 42.385 42.385 44.703 -2.317 25443 8517 1 14 . 1 1 18 18 LEU H H 18 7.743 7.743 7.572 0.171 25443 8518 1 14 . 1 1 19 19 ASN N N 19 122.718 122.718 117.418 5.300 25443 8519 1 14 . 1 1 19 19 ASN HA H 19 4.302 4.302 4.722 -0.420 25443 8520 1 14 . 1 1 19 19 ASN C C 19 178.040 178.040 176.505 1.535 25443 8521 1 14 . 1 1 19 19 ASN CA C 19 54.421 54.421 53.600 0.821 25443 8522 1 14 . 1 1 19 19 ASN CB C 19 38.580 38.580 39.593 -1.013 25443 8523 1 14 . 1 1 19 19 ASN H H 19 8.758 8.758 8.565 0.193 25443 8524 1 14 . 1 1 20 20 ARG N N 20 128.821 128.821 120.911 7.910 25443 8525 1 14 . 1 1 20 20 ARG HA H 20 3.790 3.790 4.277 -0.487 25443 8526 1 14 . 1 1 20 20 ARG C C 20 175.566 175.566 177.664 -2.098 25443 8527 1 14 . 1 1 20 20 ARG CA C 20 58.775 58.775 57.989 0.786 25443 8528 1 14 . 1 1 20 20 ARG CB C 20 29.642 29.642 30.142 -0.500 25443 8529 1 14 . 1 1 20 20 ARG H H 20 8.997 8.997 8.675 0.322 25443 8530 1 14 . 1 1 21 21 GLU N N 21 117.438 117.438 116.901 0.537 25443 8531 1 14 . 1 1 21 21 GLU HA H 21 4.214 4.214 4.242 -0.028 25443 8532 1 14 . 1 1 21 21 GLU C C 21 177.076 177.076 176.268 0.808 25443 8533 1 14 . 1 1 21 21 GLU CA C 21 56.677 56.677 56.640 0.037 25443 8534 1 14 . 1 1 21 21 GLU CB C 21 30.451 30.451 29.000 1.451 25443 8535 1 14 . 1 1 21 21 GLU H H 21 9.043 9.043 8.448 0.595 25443 8536 1 14 . 1 1 22 22 LEU N N 22 116.311 116.311 122.988 -6.677 25443 8537 1 14 . 1 1 22 22 LEU HA H 22 4.491 4.491 4.466 0.025 25443 8538 1 14 . 1 1 22 22 LEU C C 22 178.389 178.389 175.737 2.652 25443 8539 1 14 . 1 1 22 22 LEU CA C 22 55.496 55.496 54.354 1.142 25443 8540 1 14 . 1 1 22 22 LEU CB C 22 42.148 42.148 42.530 -0.382 25443 8541 1 14 . 1 1 22 22 LEU H H 22 7.183 7.183 7.179 0.004 25443 8542 1 14 . 1 1 23 23 THR N N 23 113.850 113.850 116.960 -3.110 25443 8543 1 14 . 1 1 23 23 THR HA H 23 4.289 4.289 4.584 -0.295 25443 8544 1 14 . 1 1 23 23 THR C C 23 175.229 175.229 175.613 -0.384 25443 8545 1 14 . 1 1 23 23 THR CA C 23 59.895 59.895 59.828 0.067 25443 8546 1 14 . 1 1 23 23 THR CB C 23 71.989 71.989 71.478 0.511 25443 8547 1 14 . 1 1 23 23 THR H H 23 8.743 8.743 7.939 0.804 25443 8548 1 14 . 1 1 24 24 GLU N N 24 119.724 119.724 120.655 -0.931 25443 8549 1 14 . 1 1 24 24 GLU HA H 24 3.591 3.591 4.081 -0.490 25443 8550 1 14 . 1 1 24 24 GLU C C 24 178.597 178.597 178.479 0.118 25443 8551 1 14 . 1 1 24 24 GLU CA C 24 63.490 63.490 60.719 2.771 25443 8552 1 14 . 1 1 24 24 GLU CB C 24 27.433 27.433 28.812 -1.379 25443 8553 1 14 . 1 1 24 24 GLU H H 24 9.641 9.641 9.073 0.568 25443 8554 1 14 . 1 1 25 25 GLY N N 25 104.430 104.430 108.307 -3.877 25443 8555 1 14 . 1 1 25 25 GLY C C 25 175.425 175.425 176.032 -0.607 25443 8556 1 14 . 1 1 25 25 GLY CA C 25 47.334 47.334 47.297 0.037 25443 8557 1 14 . 1 1 25 25 GLY H H 25 8.423 8.423 7.783 0.640 25443 8558 1 14 . 1 1 26 26 ASP N N 26 123.128 123.128 123.405 -0.277 25443 8559 1 14 . 1 1 26 26 ASP HA H 26 4.530 4.530 4.463 0.067 25443 8560 1 14 . 1 1 26 26 ASP C C 26 177.878 177.878 178.500 -0.622 25443 8561 1 14 . 1 1 26 26 ASP CA C 26 57.429 57.429 57.532 -0.103 25443 8562 1 14 . 1 1 26 26 ASP CB C 26 41.612 41.612 40.614 0.998 25443 8563 1 14 . 1 1 26 26 ASP H H 26 7.859 7.859 7.633 0.226 25443 8564 1 14 . 1 1 27 27 ILE N N 27 118.864 118.864 120.117 -1.253 25443 8565 1 14 . 1 1 27 27 ILE HA H 27 3.534 3.534 3.388 0.146 25443 8566 1 14 . 1 1 27 27 ILE C C 27 178.225 178.225 177.771 0.454 25443 8567 1 14 . 1 1 27 27 ILE CA C 27 65.627 65.627 64.799 0.828 25443 8568 1 14 . 1 1 27 27 ILE CB C 27 37.614 37.614 37.849 -0.235 25443 8569 1 14 . 1 1 27 27 ILE H H 27 8.055 8.055 7.509 0.546 25443 8570 1 14 . 1 1 28 28 LEU N N 28 119.416 119.416 120.563 -1.147 25443 8571 1 14 . 1 1 28 28 LEU HA H 28 3.861 3.861 4.076 -0.215 25443 8572 1 14 . 1 1 28 28 LEU C C 28 179.884 179.884 178.358 1.526 25443 8573 1 14 . 1 1 28 28 LEU CA C 28 58.758 58.758 58.240 0.517 25443 8574 1 14 . 1 1 28 28 LEU CB C 28 41.137 41.137 41.508 -0.371 25443 8575 1 14 . 1 1 28 28 LEU H H 28 8.423 8.423 8.506 -0.083 25443 8576 1 14 . 1 1 29 29 THR N N 29 119.586 119.586 115.986 3.600 25443 8577 1 14 . 1 1 29 29 THR HA H 29 3.790 3.790 3.994 -0.204 25443 8578 1 14 . 1 1 29 29 THR C C 29 176.530 176.530 176.580 -0.050 25443 8579 1 14 . 1 1 29 29 THR CA C 29 67.322 67.322 66.474 0.848 25443 8580 1 14 . 1 1 29 29 THR CB C 29 68.372 68.372 68.379 -0.007 25443 8581 1 14 . 1 1 29 29 THR H H 29 8.552 8.552 7.738 0.814 25443 8582 1 14 . 1 1 30 30 VAL N N 30 119.948 119.948 120.132 -0.184 25443 8583 1 14 . 1 1 30 30 VAL HA H 30 3.601 3.601 3.668 -0.067 25443 8584 1 14 . 1 1 30 30 VAL C C 30 178.670 178.670 178.535 0.135 25443 8585 1 14 . 1 1 30 30 VAL CA C 30 66.081 66.081 65.814 0.267 25443 8586 1 14 . 1 1 30 30 VAL CB C 30 32.993 32.993 30.948 2.045 25443 8587 1 14 . 1 1 30 30 VAL H H 30 7.959 7.959 7.661 0.298 25443 8588 1 14 . 1 1 31 31 PHE N N 31 113.636 113.636 119.929 -6.293 25443 8589 1 14 . 1 1 31 31 PHE HA H 31 4.006 4.006 4.638 -0.632 25443 8590 1 14 . 1 1 31 31 PHE C C 31 180.133 180.133 177.961 2.172 25443 8591 1 14 . 1 1 31 31 PHE CA C 31 62.266 62.266 58.910 3.356 25443 8592 1 14 . 1 1 31 31 PHE CB C 31 37.711 37.711 37.848 -0.137 25443 8593 1 14 . 1 1 31 31 PHE H H 31 8.726 8.726 7.699 1.027 25443 8594 1 14 . 1 1 32 32 SER N N 32 119.746 119.746 114.973 4.773 25443 8595 1 14 . 1 1 32 32 SER HA H 32 5.107 5.107 4.261 0.846 25443 8596 1 14 . 1 1 32 32 SER C C 32 173.450 173.450 176.666 -3.216 25443 8597 1 14 . 1 1 32 32 SER CA C 32 61.440 61.440 61.381 0.059 25443 8598 1 14 . 1 1 32 32 SER CB C 32 62.690 62.690 62.393 0.297 25443 8599 1 14 . 1 1 32 32 SER H H 32 8.564 8.564 8.753 -0.189 25443 8600 1 14 . 1 1 33 33 GLU N N 33 118.689 118.689 123.076 -4.387 25443 8601 1 14 . 1 1 33 33 GLU HA H 33 3.854 3.854 4.044 -0.190 25443 8602 1 14 . 1 1 33 33 GLU C C 33 176.471 176.471 177.332 -0.861 25443 8603 1 14 . 1 1 33 33 GLU CA C 33 57.997 57.997 58.050 -0.052 25443 8604 1 14 . 1 1 33 33 GLU CB C 33 29.503 29.503 29.072 0.431 25443 8605 1 14 . 1 1 33 33 GLU H H 33 6.733 6.733 7.564 -0.831 25443 8606 1 14 . 1 1 34 34 TYR N N 34 111.313 111.313 116.923 -5.610 25443 8607 1 14 . 1 1 34 34 TYR HA H 34 4.469 4.469 4.484 -0.015 25443 8608 1 14 . 1 1 34 34 TYR C C 34 174.351 174.351 176.378 -2.027 25443 8609 1 14 . 1 1 34 34 TYR CA C 34 57.940 57.940 57.871 0.069 25443 8610 1 14 . 1 1 34 34 TYR CB C 34 39.557 39.557 38.629 0.928 25443 8611 1 14 . 1 1 34 34 TYR H H 34 6.662 6.662 7.521 -0.859 25443 8612 1 14 . 1 1 35 35 GLY N N 35 106.055 106.055 107.377 -1.322 25443 8613 1 14 . 1 1 35 35 GLY C C 35 170.709 170.709 174.099 -3.390 25443 8614 1 14 . 1 1 35 35 GLY CA C 35 45.230 45.230 45.581 -0.351 25443 8615 1 14 . 1 1 35 35 GLY H H 35 7.302 7.302 7.802 -0.500 25443 8616 1 14 . 1 1 36 36 VAL N N 36 121.596 121.596 120.323 1.273 25443 8617 1 14 . 1 1 36 36 VAL HA H 36 4.492 4.492 4.469 0.023 25443 8618 1 14 . 1 1 36 36 VAL CA C 36 59.912 59.912 59.194 0.718 25443 8619 1 14 . 1 1 36 36 VAL CB C 36 33.632 33.632 34.556 -0.924 25443 8620 1 14 . 1 1 36 36 VAL H H 36 8.595 8.595 7.620 0.975 25443 8621 1 14 . 1 1 37 37 PRO HA H 37 4.499 4.499 4.771 -0.272 25443 8622 1 14 . 1 1 37 37 PRO C C 37 176.150 176.150 176.150 0.000 25443 8623 1 14 . 1 1 37 37 PRO CA C 37 62.320 62.320 62.456 -0.136 25443 8624 1 14 . 1 1 37 37 PRO CB C 37 31.945 31.945 31.884 0.062 25443 8625 1 14 . 1 1 38 38 VAL N N 38 114.135 114.135 122.145 -8.010 25443 8626 1 14 . 1 1 38 38 VAL HA H 38 4.436 4.436 4.207 0.229 25443 8627 1 14 . 1 1 38 38 VAL C C 38 175.124 175.124 175.401 -0.277 25443 8628 1 14 . 1 1 38 38 VAL CA C 38 60.488 60.488 59.510 0.978 25443 8629 1 14 . 1 1 38 38 VAL CB C 38 32.560 32.560 33.393 -0.833 25443 8630 1 14 . 1 1 38 38 VAL H H 38 9.006 9.006 8.004 1.002 25443 8631 1 14 . 1 1 39 39 ASP N N 39 118.095 118.095 122.722 -4.627 25443 8632 1 14 . 1 1 39 39 ASP HA H 39 4.626 4.626 4.542 0.084 25443 8633 1 14 . 1 1 39 39 ASP C C 39 174.577 174.577 174.904 -0.327 25443 8634 1 14 . 1 1 39 39 ASP CA C 39 54.706 54.706 55.321 -0.615 25443 8635 1 14 . 1 1 39 39 ASP CB C 39 43.495 43.495 41.253 2.242 25443 8636 1 14 . 1 1 39 39 ASP H H 39 7.454 7.454 8.166 -0.712 25443 8637 1 14 . 1 1 40 40 VAL N N 40 121.566 121.566 124.441 -2.875 25443 8638 1 14 . 1 1 40 40 VAL HA H 40 4.897 4.897 4.693 0.204 25443 8639 1 14 . 1 1 40 40 VAL C C 40 170.928 170.928 174.814 -3.886 25443 8640 1 14 . 1 1 40 40 VAL CA C 40 60.729 60.729 60.969 -0.240 25443 8641 1 14 . 1 1 40 40 VAL CB C 40 34.373 34.373 34.390 -0.017 25443 8642 1 14 . 1 1 40 40 VAL H H 40 7.576 7.576 8.223 -0.647 25443 8643 1 14 . 1 1 41 41 ILE N N 41 125.247 125.247 130.989 -5.742 25443 8644 1 14 . 1 1 41 41 ILE HA H 41 4.752 4.752 4.719 0.033 25443 8645 1 14 . 1 1 41 41 ILE C C 41 175.440 175.440 174.173 1.267 25443 8646 1 14 . 1 1 41 41 ILE CA C 41 61.609 61.609 60.250 1.359 25443 8647 1 14 . 1 1 41 41 ILE H H 41 8.929 8.929 9.323 -0.394 25443 8648 1 14 . 1 1 42 42 LEU N N 42 128.791 128.791 128.542 0.249 25443 8649 1 14 . 1 1 42 42 LEU HA H 42 4.387 4.387 4.987 -0.600 25443 8650 1 14 . 1 1 42 42 LEU C C 42 174.979 174.979 176.201 -1.222 25443 8651 1 14 . 1 1 42 42 LEU CA C 42 53.345 53.345 53.254 0.091 25443 8652 1 14 . 1 1 42 42 LEU CB C 42 43.298 43.298 45.972 -2.674 25443 8653 1 14 . 1 1 42 42 LEU H H 42 8.309 8.309 8.812 -0.503 25443 8654 1 14 . 1 1 43 43 SER N N 43 122.753 122.753 121.236 1.517 25443 8655 1 14 . 1 1 43 43 SER HA H 43 3.821 3.821 4.505 -0.684 25443 8656 1 14 . 1 1 43 43 SER C C 43 173.870 173.870 173.957 -0.087 25443 8657 1 14 . 1 1 43 43 SER CA C 43 59.707 59.707 58.468 1.239 25443 8658 1 14 . 1 1 43 43 SER CB C 43 62.714 62.714 63.694 -0.980 25443 8659 1 14 . 1 1 43 43 SER H H 43 8.317 8.317 8.923 -0.606 25443 8660 1 14 . 1 1 44 44 ARG N N 44 128.068 128.068 127.194 0.874 25443 8661 1 14 . 1 1 44 44 ARG HA H 44 4.763 4.763 4.876 -0.113 25443 8662 1 14 . 1 1 44 44 ARG C C 44 175.094 175.094 175.847 -0.753 25443 8663 1 14 . 1 1 44 44 ARG CA C 44 54.100 54.100 54.556 -0.456 25443 8664 1 14 . 1 1 44 44 ARG CB C 44 34.218 34.218 32.563 1.655 25443 8665 1 14 . 1 1 44 44 ARG H H 44 8.152 8.152 8.010 0.142 25443 8666 1 14 . 1 1 45 45 ASP N N 45 123.595 123.595 126.545 -2.950 25443 8667 1 14 . 1 1 45 45 ASP HA H 45 4.172 4.172 4.589 -0.417 25443 8668 1 14 . 1 1 45 45 ASP C C 45 177.467 177.467 176.309 1.158 25443 8669 1 14 . 1 1 45 45 ASP CA C 45 54.898 54.898 55.363 -0.465 25443 8670 1 14 . 1 1 45 45 ASP CB C 45 43.568 43.568 42.465 1.103 25443 8671 1 14 . 1 1 45 45 ASP H H 45 8.628 8.628 8.899 -0.271 25443 8672 1 14 . 1 1 46 46 GLU N N 46 125.161 125.161 124.605 0.556 25443 8673 1 14 . 1 1 46 46 GLU HA H 46 3.843 3.843 4.166 -0.323 25443 8674 1 14 . 1 1 46 46 GLU C C 46 175.690 175.690 176.847 -1.157 25443 8675 1 14 . 1 1 46 46 GLU CA C 46 58.861 58.861 57.737 1.124 25443 8676 1 14 . 1 1 46 46 GLU CB C 46 29.636 29.636 30.162 -0.526 25443 8677 1 14 . 1 1 46 46 GLU H H 46 9.013 9.013 8.823 0.190 25443 8678 1 14 . 1 1 47 47 ASN N N 47 115.135 115.135 117.655 -2.520 25443 8679 1 14 . 1 1 47 47 ASN HA H 47 4.842 4.842 4.836 0.006 25443 8680 1 14 . 1 1 47 47 ASN C C 47 176.655 176.655 177.135 -0.480 25443 8681 1 14 . 1 1 47 47 ASN CA C 47 54.897 54.897 54.906 -0.009 25443 8682 1 14 . 1 1 47 47 ASN CB C 47 40.141 40.141 39.907 0.234 25443 8683 1 14 . 1 1 47 47 ASN H H 47 8.926 8.926 8.945 -0.019 25443 8684 1 14 . 1 1 48 48 THR N N 48 107.544 107.544 111.186 -3.642 25443 8685 1 14 . 1 1 48 48 THR HA H 48 4.400 4.400 4.386 0.014 25443 8686 1 14 . 1 1 48 48 THR C C 48 176.484 176.484 176.060 0.424 25443 8687 1 14 . 1 1 48 48 THR CA C 48 61.513 61.513 63.514 -2.001 25443 8688 1 14 . 1 1 48 48 THR CB C 48 71.189 71.189 70.235 0.954 25443 8689 1 14 . 1 1 48 48 THR H H 48 8.455 8.455 8.890 -0.435 25443 8690 1 14 . 1 1 49 49 GLY N N 49 111.753 111.753 111.040 0.713 25443 8691 1 14 . 1 1 49 49 GLY C C 49 173.167 173.167 173.679 -0.512 25443 8692 1 14 . 1 1 49 49 GLY CA C 49 45.628 45.628 44.650 0.978 25443 8693 1 14 . 1 1 49 49 GLY H H 49 8.607 8.607 8.166 0.441 25443 8694 1 14 . 1 1 50 50 GLU N N 50 119.978 119.978 119.492 0.486 25443 8695 1 14 . 1 1 50 50 GLU HA H 50 4.071 4.071 4.567 -0.496 25443 8696 1 14 . 1 1 50 50 GLU C C 50 176.629 176.629 175.821 0.808 25443 8697 1 14 . 1 1 50 50 GLU CA C 50 56.500 56.500 54.280 2.220 25443 8698 1 14 . 1 1 50 50 GLU CB C 50 30.927 30.927 31.303 -0.376 25443 8699 1 14 . 1 1 50 50 GLU H H 50 7.796 7.796 8.146 -0.350 25443 8700 1 14 . 1 1 51 51 SER N N 51 115.672 115.672 114.717 0.955 25443 8701 1 14 . 1 1 51 51 SER HA H 51 4.205 4.205 4.957 -0.752 25443 8702 1 14 . 1 1 51 51 SER C C 51 176.532 176.532 175.384 1.148 25443 8703 1 14 . 1 1 51 51 SER CA C 51 58.320 58.320 57.195 1.125 25443 8704 1 14 . 1 1 51 51 SER CB C 51 64.596 64.596 64.591 0.005 25443 8705 1 14 . 1 1 51 51 SER H H 51 8.889 8.889 8.766 0.123 25443 8706 1 14 . 1 1 52 52 GLN N N 52 123.139 123.139 124.500 -1.361 25443 8707 1 14 . 1 1 52 52 GLN HA H 52 4.421 4.421 3.994 0.427 25443 8708 1 14 . 1 1 52 52 GLN C C 52 177.396 177.396 176.419 0.977 25443 8709 1 14 . 1 1 52 52 GLN CA C 52 55.051 55.051 57.468 -2.417 25443 8710 1 14 . 1 1 52 52 GLN CB C 52 29.874 29.874 29.072 0.802 25443 8711 1 14 . 1 1 52 52 GLN H H 52 9.078 9.078 8.989 0.089 25443 8712 1 14 . 1 1 53 53 GLY N N 53 105.904 105.904 104.510 1.394 25443 8713 1 14 . 1 1 53 53 GLY C C 53 172.046 172.046 173.798 -1.752 25443 8714 1 14 . 1 1 53 53 GLY CA C 53 46.550 46.550 44.381 2.169 25443 8715 1 14 . 1 1 53 53 GLY H H 53 8.851 8.851 7.590 1.261 25443 8716 1 14 . 1 1 54 54 PHE N N 54 111.888 111.888 120.618 -8.730 25443 8717 1 14 . 1 1 54 54 PHE HA H 54 5.253 5.253 5.176 0.077 25443 8718 1 14 . 1 1 54 54 PHE C C 54 171.570 171.570 174.329 -2.759 25443 8719 1 14 . 1 1 54 54 PHE CA C 54 55.592 55.592 54.978 0.614 25443 8720 1 14 . 1 1 54 54 PHE CB C 54 40.806 40.806 41.078 -0.272 25443 8721 1 14 . 1 1 54 54 PHE H H 54 6.827 6.827 7.801 -0.974 25443 8722 1 14 . 1 1 55 55 ALA N N 55 121.888 121.888 123.754 -1.866 25443 8723 1 14 . 1 1 55 55 ALA HA H 55 5.032 5.032 5.099 -0.067 25443 8724 1 14 . 1 1 55 55 ALA C C 55 172.957 172.957 174.955 -1.998 25443 8725 1 14 . 1 1 55 55 ALA CA C 55 49.477 49.477 50.705 -1.228 25443 8726 1 14 . 1 1 55 55 ALA H H 55 8.927 8.927 8.343 0.584 25443 8727 1 14 . 1 1 56 56 TYR N N 56 115.049 115.049 120.258 -5.209 25443 8728 1 14 . 1 1 56 56 TYR HA H 56 5.602 5.602 5.680 -0.078 25443 8729 1 14 . 1 1 56 56 TYR C C 56 175.162 175.162 174.343 0.819 25443 8730 1 14 . 1 1 56 56 TYR CA C 56 55.444 55.444 56.456 -1.012 25443 8731 1 14 . 1 1 56 56 TYR CB C 56 42.189 42.189 41.553 0.636 25443 8732 1 14 . 1 1 56 56 TYR H H 56 9.020 9.020 9.378 -0.358 25443 8733 1 14 . 1 1 57 57 LEU N N 57 122.745 122.745 125.058 -2.313 25443 8734 1 14 . 1 1 57 57 LEU HA H 57 4.713 4.713 5.121 -0.408 25443 8735 1 14 . 1 1 57 57 LEU C C 57 172.371 172.371 174.662 -2.291 25443 8736 1 14 . 1 1 57 57 LEU CA C 57 54.712 54.712 53.575 1.137 25443 8737 1 14 . 1 1 57 57 LEU CB C 57 46.754 46.754 45.471 1.283 25443 8738 1 14 . 1 1 57 57 LEU H H 57 8.706 8.706 8.580 0.126 25443 8739 1 14 . 1 1 58 58 LYS N N 58 125.469 125.469 127.164 -1.695 25443 8740 1 14 . 1 1 58 58 LYS HA H 58 4.467 4.467 4.739 -0.272 25443 8741 1 14 . 1 1 58 58 LYS C C 58 175.152 175.152 174.086 1.066 25443 8742 1 14 . 1 1 58 58 LYS CA C 58 54.494 54.494 53.581 0.913 25443 8743 1 14 . 1 1 58 58 LYS CB C 58 36.479 36.479 34.450 2.030 25443 8744 1 14 . 1 1 58 58 LYS H H 58 7.948 7.948 8.907 -0.959 25443 8745 1 14 . 1 1 59 59 TYR N N 59 126.261 126.261 122.963 3.298 25443 8746 1 14 . 1 1 59 59 TYR HA H 59 5.003 5.003 4.715 0.288 25443 8747 1 14 . 1 1 59 59 TYR C C 59 176.020 176.020 173.620 2.400 25443 8748 1 14 . 1 1 59 59 TYR CA C 59 57.992 57.992 55.285 2.707 25443 8749 1 14 . 1 1 59 59 TYR CB C 59 41.715 41.715 40.395 1.320 25443 8750 1 14 . 1 1 59 59 TYR H H 59 8.957 8.957 7.347 1.610 25443 8751 1 14 . 1 1 60 60 GLU N N 60 120.342 120.342 121.552 -1.210 25443 8752 1 14 . 1 1 60 60 GLU HA H 60 3.839 3.839 4.465 -0.626 25443 8753 1 14 . 1 1 60 60 GLU C C 60 175.346 175.346 175.438 -0.092 25443 8754 1 14 . 1 1 60 60 GLU CA C 60 59.057 59.057 55.929 3.127 25443 8755 1 14 . 1 1 60 60 GLU CB C 60 30.653 30.653 29.865 0.788 25443 8756 1 14 . 1 1 60 60 GLU H H 60 8.845 8.845 8.484 0.361 25443 8757 1 14 . 1 1 61 61 ASP N N 61 116.193 116.193 123.463 -7.270 25443 8758 1 14 . 1 1 61 61 ASP HA H 61 4.915 4.915 4.636 0.279 25443 8759 1 14 . 1 1 61 61 ASP C C 61 176.659 176.659 175.207 1.452 25443 8760 1 14 . 1 1 61 61 ASP CA C 61 51.856 51.856 54.081 -2.225 25443 8761 1 14 . 1 1 61 61 ASP CB C 61 43.726 43.726 42.568 1.158 25443 8762 1 14 . 1 1 61 61 ASP H H 61 7.922 7.922 8.142 -0.220 25443 8763 1 14 . 1 1 62 62 GLN N N 62 125.812 125.812 122.672 3.140 25443 8764 1 14 . 1 1 62 62 GLN HA H 62 4.221 4.221 4.258 -0.037 25443 8765 1 14 . 1 1 62 62 GLN C C 62 178.430 178.430 177.662 0.768 25443 8766 1 14 . 1 1 62 62 GLN CA C 62 58.449 58.449 58.723 -0.274 25443 8767 1 14 . 1 1 62 62 GLN CB C 62 28.076 28.076 29.264 -1.188 25443 8768 1 14 . 1 1 62 62 GLN H H 62 8.964 8.964 8.722 0.242 25443 8769 1 14 . 1 1 63 63 ARG N N 63 120.943 120.943 120.663 0.280 25443 8770 1 14 . 1 1 63 63 ARG HA H 63 3.979 3.979 4.042 -0.063 25443 8771 1 14 . 1 1 63 63 ARG C C 63 179.350 179.350 178.724 0.626 25443 8772 1 14 . 1 1 63 63 ARG CA C 63 59.398 59.398 59.540 -0.142 25443 8773 1 14 . 1 1 63 63 ARG CB C 63 29.466 29.466 30.038 -0.572 25443 8774 1 14 . 1 1 63 63 ARG H H 63 8.965 8.965 8.098 0.867 25443 8775 1 14 . 1 1 64 64 SER N N 64 115.358 115.358 113.303 2.055 25443 8776 1 14 . 1 1 64 64 SER HA H 64 3.898 3.898 4.082 -0.184 25443 8777 1 14 . 1 1 64 64 SER C C 64 174.444 174.444 176.244 -1.800 25443 8778 1 14 . 1 1 64 64 SER CA C 64 62.459 62.459 61.752 0.707 25443 8779 1 14 . 1 1 64 64 SER CB C 64 62.040 62.040 62.641 -0.601 25443 8780 1 14 . 1 1 64 64 SER H H 64 8.065 8.065 9.205 -1.140 25443 8781 1 14 . 1 1 65 65 THR N N 65 113.614 113.614 116.466 -2.852 25443 8782 1 14 . 1 1 65 65 THR HA H 65 3.751 3.751 4.343 -0.592 25443 8783 1 14 . 1 1 65 65 THR C C 65 175.357 175.357 176.602 -1.245 25443 8784 1 14 . 1 1 65 65 THR CA C 65 66.292 66.292 65.766 0.526 25443 8785 1 14 . 1 1 65 65 THR CB C 65 68.457 68.457 68.541 -0.084 25443 8786 1 14 . 1 1 65 65 THR H H 65 7.484 7.484 7.774 -0.290 25443 8787 1 14 . 1 1 66 66 ILE N N 66 120.736 120.736 123.154 -2.418 25443 8788 1 14 . 1 1 66 66 ILE HA H 66 3.653 3.653 4.049 -0.396 25443 8789 1 14 . 1 1 66 66 ILE C C 66 177.518 177.518 178.191 -0.673 25443 8790 1 14 . 1 1 66 66 ILE CA C 66 64.014 64.014 64.679 -0.665 25443 8791 1 14 . 1 1 66 66 ILE CB C 66 42.194 42.194 37.624 4.570 25443 8792 1 14 . 1 1 66 66 ILE H H 66 6.976 6.976 7.374 -0.398 25443 8793 1 14 . 1 1 67 67 LEU N N 67 117.584 117.584 121.305 -3.721 25443 8794 1 14 . 1 1 67 67 LEU HA H 67 3.921 3.921 3.873 0.048 25443 8795 1 14 . 1 1 67 67 LEU C C 67 179.650 179.650 178.548 1.102 25443 8796 1 14 . 1 1 67 67 LEU CA C 67 57.452 57.452 58.175 -0.723 25443 8797 1 14 . 1 1 67 67 LEU CB C 67 42.172 42.172 41.951 0.221 25443 8798 1 14 . 1 1 67 67 LEU H H 67 7.006 7.006 8.266 -1.260 25443 8799 1 14 . 1 1 68 68 ALA N N 68 121.025 121.025 120.388 0.637 25443 8800 1 14 . 1 1 68 68 ALA HA H 68 3.285 3.285 4.039 -0.754 25443 8801 1 14 . 1 1 68 68 ALA C C 68 179.216 179.216 179.871 -0.655 25443 8802 1 14 . 1 1 68 68 ALA CA C 68 55.564 55.564 54.856 0.708 25443 8803 1 14 . 1 1 68 68 ALA CB C 68 18.852 18.852 18.170 0.682 25443 8804 1 14 . 1 1 68 68 ALA H H 68 8.121 8.121 8.066 0.055 25443 8805 1 14 . 1 1 69 69 VAL N N 69 117.799 117.799 118.396 -0.597 25443 8806 1 14 . 1 1 69 69 VAL HA H 69 3.243 3.243 3.587 -0.344 25443 8807 1 14 . 1 1 69 69 VAL C C 69 178.541 178.541 177.994 0.547 25443 8808 1 14 . 1 1 69 69 VAL CA C 69 67.237 67.237 67.581 -0.344 25443 8809 1 14 . 1 1 69 69 VAL CB C 69 31.679 31.679 31.798 -0.119 25443 8810 1 14 . 1 1 69 69 VAL H H 69 8.012 8.012 7.737 0.275 25443 8811 1 14 . 1 1 70 70 ASP N N 70 117.013 117.013 115.691 1.322 25443 8812 1 14 . 1 1 70 70 ASP HA H 70 4.339 4.339 4.546 -0.207 25443 8813 1 14 . 1 1 70 70 ASP C C 70 178.330 178.330 176.814 1.516 25443 8814 1 14 . 1 1 70 70 ASP CA C 70 57.131 57.131 56.324 0.807 25443 8815 1 14 . 1 1 70 70 ASP CB C 70 40.465 40.465 40.820 -0.355 25443 8816 1 14 . 1 1 70 70 ASP H H 70 8.216 8.216 8.086 0.130 25443 8817 1 14 . 1 1 71 71 ASN N N 71 112.777 112.777 117.699 -4.922 25443 8818 1 14 . 1 1 71 71 ASN HA H 71 4.587 4.587 4.691 -0.104 25443 8819 1 14 . 1 1 71 71 ASN C C 71 176.314 176.314 176.714 -0.400 25443 8820 1 14 . 1 1 71 71 ASN CA C 71 55.474 55.474 55.118 0.356 25443 8821 1 14 . 1 1 71 71 ASN CB C 71 40.592 40.592 39.846 0.746 25443 8822 1 14 . 1 1 71 71 ASN H H 71 7.582 7.582 7.838 -0.256 25443 8823 1 14 . 1 1 72 72 LEU N N 72 116.551 116.551 119.268 -2.717 25443 8824 1 14 . 1 1 72 72 LEU HA H 72 4.494 4.494 4.329 0.165 25443 8825 1 14 . 1 1 72 72 LEU C C 72 177.500 177.500 176.796 0.704 25443 8826 1 14 . 1 1 72 72 LEU CA C 72 54.590 54.590 55.739 -1.149 25443 8827 1 14 . 1 1 72 72 LEU CB C 72 42.862 42.862 42.413 0.449 25443 8828 1 14 . 1 1 72 72 LEU H H 72 8.201 8.201 8.038 0.163 25443 8829 1 14 . 1 1 73 73 ASN N N 73 118.974 118.974 118.109 0.865 25443 8830 1 14 . 1 1 73 73 ASN HA H 73 4.392 4.392 4.916 -0.524 25443 8831 1 14 . 1 1 73 73 ASN C C 73 177.151 177.151 176.523 0.628 25443 8832 1 14 . 1 1 73 73 ASN CA C 73 56.276 56.276 54.883 1.393 25443 8833 1 14 . 1 1 73 73 ASN CB C 73 38.853 38.853 37.936 0.917 25443 8834 1 14 . 1 1 73 73 ASN H H 73 7.406 7.406 7.673 -0.267 25443 8835 1 14 . 1 1 74 74 GLY N N 74 116.478 116.478 114.054 2.424 25443 8836 1 14 . 1 1 74 74 GLY C C 74 172.756 172.756 173.950 -1.194 25443 8837 1 14 . 1 1 74 74 GLY CA C 74 45.662 45.662 44.920 0.742 25443 8838 1 14 . 1 1 74 74 GLY H H 74 9.106 9.106 8.631 0.475 25443 8839 1 14 . 1 1 75 75 PHE N N 75 123.853 123.853 123.054 0.799 25443 8840 1 14 . 1 1 75 75 PHE HA H 75 4.328 4.328 4.470 -0.142 25443 8841 1 14 . 1 1 75 75 PHE C C 75 175.065 175.065 174.574 0.491 25443 8842 1 14 . 1 1 75 75 PHE CA C 75 58.371 58.371 58.122 0.249 25443 8843 1 14 . 1 1 75 75 PHE CB C 75 40.947 40.947 40.093 0.854 25443 8844 1 14 . 1 1 75 75 PHE H H 75 8.074 8.074 8.152 -0.078 25443 8845 1 14 . 1 1 76 76 LYS N N 76 126.700 126.700 127.528 -0.828 25443 8846 1 14 . 1 1 76 76 LYS HA H 76 4.536 4.536 4.827 -0.291 25443 8847 1 14 . 1 1 76 76 LYS C C 76 175.395 175.395 175.668 -0.273 25443 8848 1 14 . 1 1 76 76 LYS CA C 76 56.227 56.227 54.815 1.412 25443 8849 1 14 . 1 1 76 76 LYS CB C 76 32.969 32.969 32.440 0.529 25443 8850 1 14 . 1 1 76 76 LYS H H 76 7.766 7.766 7.866 -0.100 25443 8851 1 14 . 1 1 77 77 ILE N N 77 120.686 120.686 124.661 -3.975 25443 8852 1 14 . 1 1 77 77 ILE HA H 77 4.231 4.231 4.084 0.147 25443 8853 1 14 . 1 1 77 77 ILE C C 77 177.605 177.605 176.295 1.310 25443 8854 1 14 . 1 1 77 77 ILE CA C 77 59.981 59.981 60.592 -0.611 25443 8855 1 14 . 1 1 77 77 ILE CB C 77 40.409 40.409 39.290 1.119 25443 8856 1 14 . 1 1 77 77 ILE H H 77 8.005 8.005 8.952 -0.947 25443 8857 1 14 . 1 1 78 78 GLY N N 78 118.352 118.352 116.693 1.659 25443 8858 1 14 . 1 1 78 78 GLY C C 78 175.639 175.639 174.933 0.706 25443 8859 1 14 . 1 1 78 78 GLY CA C 78 47.227 47.227 45.379 1.848 25443 8860 1 14 . 1 1 78 78 GLY H H 78 9.800 9.800 9.096 0.704 25443 8861 1 14 . 1 1 79 79 GLY N N 79 104.167 104.167 104.352 -0.185 25443 8862 1 14 . 1 1 79 79 GLY C C 79 173.371 173.371 174.473 -1.102 25443 8863 1 14 . 1 1 79 79 GLY CA C 79 45.037 45.037 44.671 0.366 25443 8864 1 14 . 1 1 79 79 GLY H H 79 8.795 8.795 8.120 0.675 25443 8865 1 14 . 1 1 80 80 ARG N N 80 119.090 119.090 122.161 -3.071 25443 8866 1 14 . 1 1 80 80 ARG HA H 80 4.590 4.590 4.582 0.008 25443 8867 1 14 . 1 1 80 80 ARG C C 80 174.563 174.563 174.730 -0.167 25443 8868 1 14 . 1 1 80 80 ARG CA C 80 54.615 54.615 53.910 0.705 25443 8869 1 14 . 1 1 80 80 ARG CB C 80 33.487 33.487 31.210 2.277 25443 8870 1 14 . 1 1 80 80 ARG H H 80 7.281 7.281 7.723 -0.442 25443 8871 1 14 . 1 1 81 81 ALA N N 81 126.039 126.039 126.501 -0.462 25443 8872 1 14 . 1 1 81 81 ALA HA H 81 4.216 4.216 5.024 -0.808 25443 8873 1 14 . 1 1 81 81 ALA C C 81 177.149 177.149 177.403 -0.254 25443 8874 1 14 . 1 1 81 81 ALA CA C 81 51.081 51.081 50.598 0.483 25443 8875 1 14 . 1 1 81 81 ALA CB C 81 19.226 19.226 20.094 -0.868 25443 8876 1 14 . 1 1 81 81 ALA H H 81 8.651 8.651 8.527 0.124 25443 8877 1 14 . 1 1 82 82 LEU N N 82 125.451 125.451 125.470 -0.019 25443 8878 1 14 . 1 1 82 82 LEU HA H 82 4.390 4.390 4.343 0.047 25443 8879 1 14 . 1 1 82 82 LEU C C 82 177.498 177.498 176.148 1.350 25443 8880 1 14 . 1 1 82 82 LEU CA C 82 56.065 56.065 54.572 1.493 25443 8881 1 14 . 1 1 82 82 LEU CB C 82 43.267 43.267 41.673 1.593 25443 8882 1 14 . 1 1 82 82 LEU H H 82 8.805 8.805 8.923 -0.118 25443 8883 1 14 . 1 1 83 83 LYS N N 83 123.253 123.253 125.951 -2.698 25443 8884 1 14 . 1 1 83 83 LYS C C 83 174.892 174.892 175.482 -0.590 25443 8885 1 14 . 1 1 83 83 LYS CA C 83 54.892 54.892 54.948 -0.056 25443 8886 1 14 . 1 1 83 83 LYS H H 83 7.768 7.768 8.075 -0.307 25443 8887 1 14 . 1 1 84 84 ILE N N 84 125.577 125.577 125.375 0.202 25443 8888 1 14 . 1 1 84 84 ILE HA H 84 5.581 5.581 5.251 0.330 25443 8889 1 14 . 1 1 84 84 ILE C C 84 174.901 174.901 175.981 -1.080 25443 8890 1 14 . 1 1 84 84 ILE CA C 84 58.803 58.803 58.047 0.756 25443 8891 1 14 . 1 1 84 84 ILE CB C 84 40.306 40.306 38.330 1.976 25443 8892 1 14 . 1 1 84 84 ILE H H 84 8.616 8.616 8.641 -0.025 25443 8893 1 14 . 1 1 85 85 ASP N N 85 125.373 125.373 126.055 -0.682 25443 8894 1 14 . 1 1 85 85 ASP HA H 85 4.909 4.909 5.070 -0.161 25443 8895 1 14 . 1 1 85 85 ASP C C 85 174.826 174.826 175.061 -0.235 25443 8896 1 14 . 1 1 85 85 ASP CA C 85 52.372 52.372 52.217 0.155 25443 8897 1 14 . 1 1 85 85 ASP CB C 85 45.290 45.290 44.728 0.562 25443 8898 1 14 . 1 1 85 85 ASP H H 85 8.907 8.907 8.931 -0.024 25443 8899 1 14 . 1 1 86 86 HIS N N 86 121.396 121.396 123.346 -1.950 25443 8900 1 14 . 1 1 86 86 HIS CA C 86 57.540 57.540 57.272 0.268 25443 8901 1 14 . 1 1 86 86 HIS CB C 86 30.985 30.985 29.637 1.348 25443 8902 1 14 . 1 1 86 86 HIS H H 86 8.970 8.970 9.001 -0.031 25443 8903 1 14 . 1 1 87 87 THR N N 87 116.761 116.761 119.724 -2.963 25443 8904 1 14 . 1 1 87 87 THR HA H 87 4.652 4.652 4.728 -0.076 25443 8905 1 14 . 1 1 87 87 THR C C 87 171.272 171.272 172.613 -1.341 25443 8906 1 14 . 1 1 87 87 THR CA C 87 60.710 60.710 60.380 0.330 25443 8907 1 14 . 1 1 87 87 THR CB C 87 69.764 69.764 70.880 -1.116 25443 8908 1 14 . 1 1 87 87 THR H H 87 8.557 8.557 8.966 -0.409 25443 8909 1 14 . 1 1 88 88 PHE N N 88 120.343 120.343 122.765 -2.422 25443 8910 1 14 . 1 1 88 88 PHE HA H 88 5.273 5.273 5.312 -0.039 25443 8911 1 14 . 1 1 88 88 PHE C C 88 174.288 174.288 173.193 1.095 25443 8912 1 14 . 1 1 88 88 PHE CA C 88 55.959 55.959 54.722 1.237 25443 8913 1 14 . 1 1 88 88 PHE CB C 88 41.079 41.079 39.039 2.040 25443 8914 1 14 . 1 1 88 88 PHE H H 88 8.114 8.114 8.193 -0.079 25443 8915 1 14 . 1 1 89 89 TYR N N 89 123.043 123.043 125.973 -2.930 25443 8916 1 14 . 1 1 89 89 TYR HA H 89 4.026 4.026 4.236 -0.210 25443 8917 1 14 . 1 1 89 89 TYR C C 89 173.155 173.155 173.870 -0.715 25443 8918 1 14 . 1 1 89 89 TYR CA C 89 57.493 57.493 57.802 -0.309 25443 8919 1 14 . 1 1 89 89 TYR CB C 89 39.829 39.829 40.742 -0.913 25443 8920 1 14 . 1 1 89 89 TYR H H 89 8.176 8.176 8.027 0.149 25443 8921 1 14 . 1 1 90 90 ARG N N 90 129.004 129.004 126.560 2.444 25443 8922 1 14 . 1 1 90 90 ARG HA H 90 4.398 4.398 4.373 0.025 25443 8923 1 14 . 1 1 90 90 ARG CA C 90 51.548 51.548 52.490 -0.943 25443 8924 1 14 . 1 1 90 90 ARG CB C 90 30.882 30.882 29.984 0.898 25443 8925 1 14 . 1 1 90 90 ARG H H 90 7.078 7.078 7.727 -0.649 25443 8926 1 14 . 1 1 91 91 PRO HA H 91 4.155 4.155 4.269 -0.114 25443 8927 1 14 . 1 1 91 91 PRO C C 91 176.340 176.340 176.083 0.257 25443 8928 1 14 . 1 1 91 91 PRO CA C 91 62.454 62.454 62.813 -0.359 25443 8929 1 14 . 1 1 91 91 PRO CB C 91 33.072 33.072 32.109 0.963 25443 8930 1 14 . 1 1 92 92 LYS N N 92 119.682 119.682 124.837 -5.155 25443 8931 1 14 . 1 1 92 92 LYS CA C 92 54.711 54.711 55.309 -0.598 25443 8932 1 14 . 1 1 92 92 LYS H H 92 8.644 8.644 8.846 -0.202 25443 8933 1 14 . 1 1 93 93 ARG C C 93 178.899 178.899 177.153 1.746 25443 8934 1 14 . 1 1 93 93 ARG CA C 93 59.125 59.125 59.034 0.091 25443 8935 1 14 . 1 1 94 94 SER N N 94 112.166 112.166 114.752 -2.586 25443 8936 1 14 . 1 1 94 94 SER HA H 94 4.176 4.176 4.377 -0.201 25443 8937 1 14 . 1 1 94 94 SER C C 94 175.776 175.776 174.768 1.008 25443 8938 1 14 . 1 1 94 94 SER CA C 94 60.031 60.031 59.631 0.400 25443 8939 1 14 . 1 1 94 94 SER CB C 94 62.152 62.152 62.571 -0.419 25443 8940 1 14 . 1 1 94 94 SER H H 94 8.299 8.299 8.291 0.008 25443 8941 1 14 . 1 1 95 95 LEU N N 95 122.179 122.179 119.639 2.540 25443 8942 1 14 . 1 1 95 95 LEU HA H 95 4.651 4.651 4.630 0.021 25443 8943 1 14 . 1 1 95 95 LEU C C 95 175.381 175.381 176.624 -1.243 25443 8944 1 14 . 1 1 95 95 LEU CA C 95 53.934 53.934 53.374 0.560 25443 8945 1 14 . 1 1 95 95 LEU CB C 95 41.861 41.861 42.028 -0.167 25443 8946 1 14 . 1 1 95 95 LEU H H 95 7.159 7.159 7.645 -0.486 25443 8947 1 14 . 1 1 96 96 GLN N N 96 118.834 118.834 120.613 -1.779 25443 8948 1 14 . 1 1 96 96 GLN HA H 96 4.030 4.030 4.125 -0.095 25443 8949 1 14 . 1 1 96 96 GLN C C 96 177.751 177.751 177.334 0.417 25443 8950 1 14 . 1 1 96 96 GLN CA C 96 60.705 60.705 59.261 1.444 25443 8951 1 14 . 1 1 96 96 GLN CB C 96 28.822 28.822 28.410 0.412 25443 8952 1 14 . 1 1 96 96 GLN H H 96 7.329 7.329 7.472 -0.143 25443 8953 1 14 . 1 1 97 97 LYS N N 97 116.469 116.469 120.156 -3.687 25443 8954 1 14 . 1 1 97 97 LYS HA H 97 4.060 4.060 4.027 0.033 25443 8955 1 14 . 1 1 97 97 LYS C C 97 179.164 179.164 179.076 0.088 25443 8956 1 14 . 1 1 97 97 LYS CA C 97 59.430 59.430 58.843 0.587 25443 8957 1 14 . 1 1 97 97 LYS CB C 97 31.511 31.511 31.401 0.111 25443 8958 1 14 . 1 1 97 97 LYS H H 97 8.614 8.614 8.289 0.325 25443 8959 1 14 . 1 1 98 98 TYR N N 98 124.165 124.165 120.792 3.373 25443 8960 1 14 . 1 1 98 98 TYR HA H 98 4.079 4.079 4.125 -0.046 25443 8961 1 14 . 1 1 98 98 TYR C C 98 177.316 177.316 177.893 -0.577 25443 8962 1 14 . 1 1 98 98 TYR CA C 98 62.205 62.205 62.166 0.039 25443 8963 1 14 . 1 1 98 98 TYR CB C 98 37.162 37.162 38.583 -1.421 25443 8964 1 14 . 1 1 98 98 TYR H H 98 7.585 7.585 7.625 -0.040 25443 8965 1 14 . 1 1 99 99 TYR N N 99 117.955 117.955 117.604 0.351 25443 8966 1 14 . 1 1 99 99 TYR HA H 99 5.078 5.078 4.293 0.785 25443 8967 1 14 . 1 1 99 99 TYR C C 99 180.957 180.957 178.677 2.280 25443 8968 1 14 . 1 1 99 99 TYR CA C 99 57.741 57.741 59.431 -1.690 25443 8969 1 14 . 1 1 99 99 TYR CB C 99 37.083 37.083 37.509 -0.426 25443 8970 1 14 . 1 1 99 99 TYR H H 99 8.660 8.660 7.549 1.111 25443 8971 1 14 . 1 1 100 100 GLU N N 100 118.796 118.796 118.519 0.277 25443 8972 1 14 . 1 1 100 100 GLU HA H 100 4.024 4.024 4.054 -0.030 25443 8973 1 14 . 1 1 100 100 GLU C C 100 178.571 178.571 178.818 -0.247 25443 8974 1 14 . 1 1 100 100 GLU CA C 100 59.400 59.400 58.736 0.664 25443 8975 1 14 . 1 1 100 100 GLU CB C 100 29.660 29.660 29.139 0.521 25443 8976 1 14 . 1 1 100 100 GLU H H 100 8.263 8.263 8.603 -0.340 25443 8977 1 14 . 1 1 101 101 ALA N N 101 123.346 123.346 122.621 0.725 25443 8978 1 14 . 1 1 101 101 ALA HA H 101 4.244 4.244 4.019 0.225 25443 8979 1 14 . 1 1 101 101 ALA C C 101 181.331 181.331 179.659 1.672 25443 8980 1 14 . 1 1 101 101 ALA CA C 101 54.851 54.851 55.171 -0.320 25443 8981 1 14 . 1 1 101 101 ALA CB C 101 18.559 18.559 18.304 0.255 25443 8982 1 14 . 1 1 101 101 ALA H H 101 7.966 7.966 7.724 0.242 25443 8983 1 14 . 1 1 102 102 VAL N N 102 120.241 120.241 118.660 1.581 25443 8984 1 14 . 1 1 102 102 VAL HA H 102 3.713 3.713 3.459 0.254 25443 8985 1 14 . 1 1 102 102 VAL C C 102 176.967 176.967 177.764 -0.797 25443 8986 1 14 . 1 1 102 102 VAL CA C 102 67.433 67.433 66.685 0.748 25443 8987 1 14 . 1 1 102 102 VAL CB C 102 31.721 31.721 31.566 0.155 25443 8988 1 14 . 1 1 102 102 VAL H H 102 8.331 8.331 7.900 0.431 25443 8989 1 14 . 1 1 103 103 LYS N N 103 120.001 120.001 119.989 0.012 25443 8990 1 14 . 1 1 103 103 LYS HA H 103 3.859 3.859 3.924 -0.065 25443 8991 1 14 . 1 1 103 103 LYS C C 103 178.500 178.500 178.764 -0.264 25443 8992 1 14 . 1 1 103 103 LYS CA C 103 59.652 59.652 59.942 -0.290 25443 8993 1 14 . 1 1 103 103 LYS CB C 103 32.040 32.040 32.217 -0.177 25443 8994 1 14 . 1 1 103 103 LYS H H 103 8.201 8.201 7.803 0.398 25443 8995 1 14 . 1 1 104 104 GLU N N 104 116.335 116.335 118.153 -1.818 25443 8996 1 14 . 1 1 104 104 GLU HA H 104 3.928 3.928 4.111 -0.183 25443 8997 1 14 . 1 1 104 104 GLU C C 104 178.645 178.645 179.842 -1.197 25443 8998 1 14 . 1 1 104 104 GLU CA C 104 59.110 59.110 59.209 -0.099 25443 8999 1 14 . 1 1 104 104 GLU CB C 104 29.607 29.607 29.148 0.459 25443 9000 1 14 . 1 1 104 104 GLU H H 104 7.909 7.909 8.071 -0.162 25443 9001 1 14 . 1 1 105 105 GLU N N 105 119.210 119.210 120.357 -1.147 25443 9002 1 14 . 1 1 105 105 GLU HA H 105 3.844 3.844 4.170 -0.326 25443 9003 1 14 . 1 1 105 105 GLU C C 105 178.613 178.613 179.113 -0.500 25443 9004 1 14 . 1 1 105 105 GLU CA C 105 58.162 58.162 58.541 -0.379 25443 9005 1 14 . 1 1 105 105 GLU CB C 105 29.754 29.754 29.355 0.399 25443 9006 1 14 . 1 1 105 105 GLU H H 105 7.257 7.257 7.693 -0.436 25443 9007 1 14 . 1 1 106 106 LEU N N 106 117.408 117.408 120.931 -3.523 25443 9008 1 14 . 1 1 106 106 LEU HA H 106 3.976 3.976 3.903 0.073 25443 9009 1 14 . 1 1 106 106 LEU C C 106 178.646 178.646 178.909 -0.263 25443 9010 1 14 . 1 1 106 106 LEU CA C 106 56.699 56.699 58.226 -1.527 25443 9011 1 14 . 1 1 106 106 LEU CB C 106 40.455 40.455 41.511 -1.056 25443 9012 1 14 . 1 1 106 106 LEU H H 106 8.169 8.169 8.406 -0.237 25443 9013 1 14 . 1 1 107 107 ASP N N 107 119.073 119.073 117.926 1.147 25443 9014 1 14 . 1 1 107 107 ASP HA H 107 4.521 4.521 4.313 0.208 25443 9015 1 14 . 1 1 107 107 ASP C C 107 177.069 177.069 178.515 -1.446 25443 9016 1 14 . 1 1 107 107 ASP CA C 107 55.099 55.099 57.583 -2.484 25443 9017 1 14 . 1 1 107 107 ASP CB C 107 40.670 40.670 40.908 -0.238 25443 9018 1 14 . 1 1 107 107 ASP H H 107 8.003 8.003 8.146 -0.143 25443 9019 1 14 . 1 1 108 108 ARG N N 108 120.705 120.705 117.947 2.758 25443 9020 1 14 . 1 1 108 108 ARG HA H 108 4.067 4.067 4.127 -0.060 25443 9021 1 14 . 1 1 108 108 ARG C C 108 176.990 176.990 178.005 -1.015 25443 9022 1 14 . 1 1 108 108 ARG CA C 108 57.517 57.517 58.848 -1.331 25443 9023 1 14 . 1 1 108 108 ARG CB C 108 30.407 30.407 30.442 -0.035 25443 9024 1 14 . 1 1 108 108 ARG H H 108 7.603 7.603 7.512 0.091 25443 9025 1 14 . 1 1 109 109 ASP N N 109 120.246 120.246 118.895 1.351 25443 9026 1 14 . 1 1 109 109 ASP HA H 109 4.521 4.521 4.485 0.036 25443 9027 1 14 . 1 1 109 109 ASP C C 109 176.630 176.630 178.078 -1.448 25443 9028 1 14 . 1 1 109 109 ASP CA C 109 55.028 55.028 56.709 -1.681 25443 9029 1 14 . 1 1 109 109 ASP CB C 109 40.936 40.936 41.068 -0.132 25443 9030 1 14 . 1 1 109 109 ASP H H 109 8.226 8.226 7.942 0.284 25443 9031 1 14 . 1 1 110 110 ILE N N 110 120.386 120.386 118.698 1.688 25443 9032 1 14 . 1 1 110 110 ILE HA H 110 3.987 3.987 3.737 0.250 25443 9033 1 14 . 1 1 110 110 ILE C C 110 176.996 176.996 177.679 -0.683 25443 9034 1 14 . 1 1 110 110 ILE CA C 110 62.241 62.241 64.005 -1.764 25443 9035 1 14 . 1 1 110 110 ILE CB C 110 38.359 38.359 38.650 -0.291 25443 9036 1 14 . 1 1 110 110 ILE H H 110 7.863 7.863 7.895 -0.032 25443 9037 1 14 . 1 1 111 111 VAL N N 111 122.548 122.548 113.739 8.809 25443 9038 1 14 . 1 1 111 111 VAL HA H 111 3.946 3.946 3.514 0.432 25443 9039 1 14 . 1 1 111 111 VAL C C 111 176.938 176.938 175.906 1.032 25443 9040 1 14 . 1 1 111 111 VAL CA C 111 63.499 63.499 65.013 -1.514 25443 9041 1 14 . 1 1 111 111 VAL CB C 111 32.223 32.223 30.632 1.591 25443 9042 1 14 . 1 1 111 111 VAL H H 111 8.016 8.016 7.822 0.194 25443 9043 1 14 . 1 1 112 112 SER N N 112 117.984 117.984 116.542 1.442 25443 9044 1 14 . 1 1 112 112 SER HA H 112 4.317 4.317 4.528 -0.211 25443 9045 1 14 . 1 1 112 112 SER C C 112 175.154 175.154 174.320 0.834 25443 9046 1 14 . 1 1 112 112 SER CA C 112 59.025 59.025 58.582 0.443 25443 9047 1 14 . 1 1 112 112 SER CB C 112 63.419 63.419 63.297 0.122 25443 9048 1 14 . 1 1 112 112 SER H H 112 8.187 8.187 8.119 0.068 25443 9049 1 14 . 1 1 113 113 LYS N N 113 122.727 122.727 126.121 -3.394 25443 9050 1 14 . 1 1 113 113 LYS HA H 113 4.209 4.209 4.131 0.078 25443 9051 1 14 . 1 1 113 113 LYS C C 113 176.713 176.713 176.181 0.532 25443 9052 1 14 . 1 1 113 113 LYS CA C 113 56.844 56.844 58.157 -1.312 25443 9053 1 14 . 1 1 113 113 LYS CB C 113 32.794 32.794 32.962 -0.168 25443 9054 1 14 . 1 1 113 113 LYS H H 113 8.152 8.152 8.651 -0.499 25443 9055 1 14 . 1 1 114 114 ASN N N 114 118.886 118.886 113.534 5.352 25443 9056 1 14 . 1 1 114 114 ASN C C 114 175.227 175.227 174.171 1.056 25443 9057 1 14 . 1 1 114 114 ASN CA C 114 53.549 53.549 52.418 1.131 25443 9058 1 14 . 1 1 114 114 ASN H H 114 8.261 8.261 7.929 0.332 25443 9059 1 14 . 1 1 115 115 ASN N N 115 119.345 119.345 116.456 2.889 25443 9060 1 14 . 1 1 115 115 ASN C C 115 174.896 174.896 174.890 0.006 25443 9061 1 14 . 1 1 115 115 ASN CA C 115 53.476 53.476 53.662 -0.186 25443 9062 1 14 . 1 1 115 115 ASN H H 115 8.257 8.257 8.566 -0.309 25443 9063 1 14 . 1 1 116 116 ALA N N 116 123.669 123.669 123.444 0.225 25443 9064 1 14 . 1 1 116 116 ALA HA H 116 4.254 4.254 4.356 -0.102 25443 9065 1 14 . 1 1 116 116 ALA C C 116 177.567 177.567 176.901 0.666 25443 9066 1 14 . 1 1 116 116 ALA CA C 116 52.678 52.678 52.289 0.389 25443 9067 1 14 . 1 1 116 116 ALA CB C 116 19.243 19.243 19.395 -0.152 25443 9068 1 14 . 1 1 116 116 ALA H H 116 8.094 8.094 7.807 0.287 25443 9069 1 14 . 1 1 117 117 GLU N N 117 120.083 120.083 123.216 -3.133 25443 9070 1 14 . 1 1 117 117 GLU C C 117 175.564 175.564 175.789 -0.225 25443 9071 1 14 . 1 1 117 117 GLU CA C 117 56.602 56.602 54.803 1.799 25443 9072 1 14 . 1 1 117 117 GLU H H 117 8.221 8.221 7.889 0.332 25443 9073 1 15 . 1 1 2 2 ALA HA H 2 4.286 4.286 4.352 -0.066 25443 9074 1 15 . 1 1 2 2 ALA C C 2 177.853 177.853 178.948 -1.095 25443 9075 1 15 . 1 1 2 2 ALA CA C 2 52.661 52.661 53.362 -0.701 25443 9076 1 15 . 1 1 2 2 ALA CB C 2 19.308 19.308 18.805 0.503 25443 9077 1 15 . 1 1 3 3 MET N N 3 119.404 119.404 117.199 2.205 25443 9078 1 15 . 1 1 3 3 MET HA H 3 4.435 4.435 4.317 0.118 25443 9079 1 15 . 1 1 3 3 MET C C 3 176.731 176.731 177.203 -0.472 25443 9080 1 15 . 1 1 3 3 MET CA C 3 55.503 55.503 55.472 0.030 25443 9081 1 15 . 1 1 3 3 MET CB C 3 32.795 32.795 32.141 0.654 25443 9082 1 15 . 1 1 3 3 MET H H 3 8.530 8.530 7.879 0.651 25443 9083 1 15 . 1 1 4 4 GLY N N 4 109.968 109.968 107.437 2.531 25443 9084 1 15 . 1 1 4 4 GLY C C 4 174.057 174.057 174.977 -0.920 25443 9085 1 15 . 1 1 4 4 GLY CA C 4 45.363 45.363 45.121 0.242 25443 9086 1 15 . 1 1 4 4 GLY H H 4 8.414 8.414 8.297 0.117 25443 9087 1 15 . 1 1 5 5 ASN N N 5 118.659 118.659 118.863 -0.204 25443 9088 1 15 . 1 1 5 5 ASN HA H 5 4.606 4.606 4.647 -0.041 25443 9089 1 15 . 1 1 5 5 ASN C C 5 175.443 175.443 176.655 -1.212 25443 9090 1 15 . 1 1 5 5 ASN CA C 5 53.530 53.530 54.915 -1.385 25443 9091 1 15 . 1 1 5 5 ASN CB C 5 38.876 38.876 38.589 0.287 25443 9092 1 15 . 1 1 5 5 ASN H H 5 8.326 8.326 8.862 -0.536 25443 9093 1 15 . 1 1 6 6 GLU N N 6 120.909 120.909 118.078 2.831 25443 9094 1 15 . 1 1 6 6 GLU HA H 6 4.097 4.097 3.900 0.197 25443 9095 1 15 . 1 1 6 6 GLU C C 6 176.261 176.261 175.123 1.138 25443 9096 1 15 . 1 1 6 6 GLU CA C 6 57.171 57.171 55.845 1.326 25443 9097 1 15 . 1 1 6 6 GLU CB C 6 29.715 29.715 29.697 0.018 25443 9098 1 15 . 1 1 6 6 GLU H H 6 8.633 8.633 8.064 0.569 25443 9099 1 15 . 1 1 7 7 TYR N N 7 120.283 120.283 114.847 5.436 25443 9100 1 15 . 1 1 7 7 TYR HA H 7 4.440 4.440 4.154 0.286 25443 9101 1 15 . 1 1 7 7 TYR C C 7 175.789 175.789 174.446 1.343 25443 9102 1 15 . 1 1 7 7 TYR CA C 7 58.061 58.061 57.681 0.380 25443 9103 1 15 . 1 1 7 7 TYR CB C 7 38.193 38.193 35.554 2.639 25443 9104 1 15 . 1 1 7 7 TYR H H 7 8.069 8.069 7.831 0.238 25443 9105 1 15 . 1 1 8 8 LYS N N 8 121.780 121.780 124.962 -3.182 25443 9106 1 15 . 1 1 8 8 LYS HA H 8 4.107 4.107 4.537 -0.430 25443 9107 1 15 . 1 1 8 8 LYS C C 8 175.970 175.970 176.204 -0.234 25443 9108 1 15 . 1 1 8 8 LYS CA C 8 56.550 56.550 55.171 1.379 25443 9109 1 15 . 1 1 8 8 LYS CB C 8 33.141 33.141 33.530 -0.389 25443 9110 1 15 . 1 1 8 8 LYS H H 8 7.868 7.868 8.091 -0.223 25443 9111 1 15 . 1 1 9 9 ASP N N 9 119.825 119.825 125.418 -5.593 25443 9112 1 15 . 1 1 9 9 ASP HA H 9 4.577 4.577 4.367 0.210 25443 9113 1 15 . 1 1 9 9 ASP C C 9 175.979 175.979 176.425 -0.446 25443 9114 1 15 . 1 1 9 9 ASP CA C 9 54.608 54.608 55.321 -0.713 25443 9115 1 15 . 1 1 9 9 ASP CB C 9 41.455 41.455 41.328 0.127 25443 9116 1 15 . 1 1 9 9 ASP H H 9 8.164 8.164 8.877 -0.713 25443 9117 1 15 . 1 1 10 10 ASN N N 10 119.410 119.410 114.773 4.637 25443 9118 1 15 . 1 1 10 10 ASN HA H 10 4.935 4.935 5.062 -0.127 25443 9119 1 15 . 1 1 10 10 ASN C C 10 174.654 174.654 174.575 0.079 25443 9120 1 15 . 1 1 10 10 ASN CA C 10 52.792 52.792 52.916 -0.124 25443 9121 1 15 . 1 1 10 10 ASN CB C 10 38.554 38.554 37.456 1.098 25443 9122 1 15 . 1 1 10 10 ASN H H 10 8.284 8.284 8.088 0.196 25443 9123 1 15 . 1 1 11 11 ALA N N 11 122.716 122.716 123.604 -0.888 25443 9124 1 15 . 1 1 11 11 ALA HA H 11 4.521 4.521 4.340 0.181 25443 9125 1 15 . 1 1 11 11 ALA CA C 11 53.148 53.148 51.747 1.401 25443 9126 1 15 . 1 1 11 11 ALA CB C 11 19.223 19.223 18.329 0.894 25443 9127 1 15 . 1 1 11 11 ALA H H 11 8.260 8.260 7.225 1.035 25443 9128 1 15 . 1 1 12 12 TYR HA H 12 4.943 4.943 5.548 -0.605 25443 9129 1 15 . 1 1 12 12 TYR C C 12 177.075 177.075 175.153 1.922 25443 9130 1 15 . 1 1 12 12 TYR CA C 12 57.314 57.314 56.235 1.079 25443 9131 1 15 . 1 1 12 12 TYR CB C 12 42.614 42.614 42.850 -0.236 25443 9132 1 15 . 1 1 13 13 ILE N N 13 114.211 114.211 117.417 -3.206 25443 9133 1 15 . 1 1 13 13 ILE HA H 13 4.981 4.981 5.118 -0.137 25443 9134 1 15 . 1 1 13 13 ILE C C 13 174.500 174.500 174.440 0.060 25443 9135 1 15 . 1 1 13 13 ILE CA C 13 60.380 60.380 59.058 1.322 25443 9136 1 15 . 1 1 13 13 ILE CB C 13 39.792 39.792 41.128 -1.336 25443 9137 1 15 . 1 1 13 13 ILE H H 13 9.358 9.358 9.034 0.324 25443 9138 1 15 . 1 1 14 14 TYR N N 14 124.891 124.891 127.208 -2.317 25443 9139 1 15 . 1 1 14 14 TYR HA H 14 4.579 4.579 5.174 -0.595 25443 9140 1 15 . 1 1 14 14 TYR C C 14 173.192 173.192 174.342 -1.150 25443 9141 1 15 . 1 1 14 14 TYR CA C 14 56.202 56.202 57.051 -0.849 25443 9142 1 15 . 1 1 14 14 TYR CB C 14 40.163 40.163 40.581 -0.418 25443 9143 1 15 . 1 1 14 14 TYR H H 14 9.163 9.163 9.045 0.118 25443 9144 1 15 . 1 1 15 15 ILE N N 15 127.801 127.801 126.937 0.864 25443 9145 1 15 . 1 1 15 15 ILE HA H 15 4.210 4.210 4.849 -0.639 25443 9146 1 15 . 1 1 15 15 ILE C C 15 173.823 173.823 175.706 -1.883 25443 9147 1 15 . 1 1 15 15 ILE CA C 15 59.616 59.616 59.610 0.006 25443 9148 1 15 . 1 1 15 15 ILE CB C 15 39.735 39.735 40.299 -0.564 25443 9149 1 15 . 1 1 15 15 ILE H H 15 8.569 8.569 8.422 0.147 25443 9150 1 15 . 1 1 16 16 GLY N N 16 112.441 112.441 113.092 -0.651 25443 9151 1 15 . 1 1 16 16 GLY C C 16 173.159 173.159 173.829 -0.670 25443 9152 1 15 . 1 1 16 16 GLY CA C 16 43.244 43.244 43.782 -0.538 25443 9153 1 15 . 1 1 16 16 GLY H H 16 9.354 9.354 8.382 0.972 25443 9154 1 15 . 1 1 17 17 ASN N N 17 114.797 114.797 118.672 -3.875 25443 9155 1 15 . 1 1 17 17 ASN HA H 17 4.347 4.347 4.710 -0.363 25443 9156 1 15 . 1 1 17 17 ASN C C 17 174.834 174.834 174.957 -0.123 25443 9157 1 15 . 1 1 17 17 ASN CA C 17 53.214 53.214 54.225 -1.011 25443 9158 1 15 . 1 1 17 17 ASN CB C 17 37.826 37.826 38.435 -0.609 25443 9159 1 15 . 1 1 17 17 ASN H H 17 8.552 8.552 8.459 0.093 25443 9160 1 15 . 1 1 18 18 LEU N N 18 114.526 114.526 125.304 -10.778 25443 9161 1 15 . 1 1 18 18 LEU HA H 18 3.994 3.994 4.589 -0.595 25443 9162 1 15 . 1 1 18 18 LEU C C 18 177.948 177.948 175.734 2.214 25443 9163 1 15 . 1 1 18 18 LEU CA C 18 53.772 53.772 53.260 0.512 25443 9164 1 15 . 1 1 18 18 LEU CB C 18 42.385 42.385 45.364 -2.979 25443 9165 1 15 . 1 1 18 18 LEU H H 18 7.743 7.743 7.483 0.260 25443 9166 1 15 . 1 1 19 19 ASN N N 19 122.718 122.718 118.433 4.285 25443 9167 1 15 . 1 1 19 19 ASN HA H 19 4.302 4.302 4.672 -0.370 25443 9168 1 15 . 1 1 19 19 ASN C C 19 178.040 178.040 176.912 1.128 25443 9169 1 15 . 1 1 19 19 ASN CA C 19 54.421 54.421 53.986 0.435 25443 9170 1 15 . 1 1 19 19 ASN CB C 19 38.580 38.580 39.195 -0.615 25443 9171 1 15 . 1 1 19 19 ASN H H 19 8.758 8.758 8.548 0.210 25443 9172 1 15 . 1 1 20 20 ARG N N 20 128.821 128.821 121.985 6.836 25443 9173 1 15 . 1 1 20 20 ARG HA H 20 3.790 3.790 4.013 -0.223 25443 9174 1 15 . 1 1 20 20 ARG C C 20 175.566 175.566 176.788 -1.222 25443 9175 1 15 . 1 1 20 20 ARG CA C 20 58.775 58.775 59.040 -0.265 25443 9176 1 15 . 1 1 20 20 ARG CB C 20 29.642 29.642 30.436 -0.794 25443 9177 1 15 . 1 1 20 20 ARG H H 20 8.997 8.997 8.774 0.223 25443 9178 1 15 . 1 1 21 21 GLU N N 21 117.438 117.438 116.130 1.308 25443 9179 1 15 . 1 1 21 21 GLU HA H 21 4.214 4.214 4.248 -0.034 25443 9180 1 15 . 1 1 21 21 GLU C C 21 177.076 177.076 176.272 0.804 25443 9181 1 15 . 1 1 21 21 GLU CA C 21 56.677 56.677 56.430 0.247 25443 9182 1 15 . 1 1 21 21 GLU CB C 21 30.451 30.451 28.971 1.480 25443 9183 1 15 . 1 1 21 21 GLU H H 21 9.043 9.043 8.444 0.599 25443 9184 1 15 . 1 1 22 22 LEU N N 22 116.311 116.311 122.798 -6.487 25443 9185 1 15 . 1 1 22 22 LEU HA H 22 4.491 4.491 4.410 0.081 25443 9186 1 15 . 1 1 22 22 LEU C C 22 178.389 178.389 175.911 2.478 25443 9187 1 15 . 1 1 22 22 LEU CA C 22 55.496 55.496 54.323 1.173 25443 9188 1 15 . 1 1 22 22 LEU CB C 22 42.148 42.148 42.390 -0.242 25443 9189 1 15 . 1 1 22 22 LEU H H 22 7.183 7.183 7.188 -0.005 25443 9190 1 15 . 1 1 23 23 THR N N 23 113.850 113.850 115.262 -1.412 25443 9191 1 15 . 1 1 23 23 THR HA H 23 4.289 4.289 4.627 -0.338 25443 9192 1 15 . 1 1 23 23 THR C C 23 175.229 175.229 175.763 -0.534 25443 9193 1 15 . 1 1 23 23 THR CA C 23 59.895 59.895 59.632 0.263 25443 9194 1 15 . 1 1 23 23 THR CB C 23 71.989 71.989 71.289 0.700 25443 9195 1 15 . 1 1 23 23 THR H H 23 8.743 8.743 7.712 1.031 25443 9196 1 15 . 1 1 24 24 GLU N N 24 119.724 119.724 120.900 -1.176 25443 9197 1 15 . 1 1 24 24 GLU HA H 24 3.591 3.591 4.101 -0.510 25443 9198 1 15 . 1 1 24 24 GLU C C 24 178.597 178.597 178.623 -0.026 25443 9199 1 15 . 1 1 24 24 GLU CA C 24 63.490 63.490 60.025 3.465 25443 9200 1 15 . 1 1 24 24 GLU CB C 24 27.433 27.433 29.226 -1.793 25443 9201 1 15 . 1 1 24 24 GLU H H 24 9.641 9.641 9.051 0.590 25443 9202 1 15 . 1 1 25 25 GLY N N 25 104.430 104.430 108.663 -4.233 25443 9203 1 15 . 1 1 25 25 GLY C C 25 175.425 175.425 175.969 -0.544 25443 9204 1 15 . 1 1 25 25 GLY CA C 25 47.334 47.334 46.966 0.368 25443 9205 1 15 . 1 1 25 25 GLY H H 25 8.423 8.423 7.716 0.707 25443 9206 1 15 . 1 1 26 26 ASP N N 26 123.128 123.128 122.932 0.196 25443 9207 1 15 . 1 1 26 26 ASP HA H 26 4.530 4.530 4.488 0.042 25443 9208 1 15 . 1 1 26 26 ASP C C 26 177.878 177.878 178.590 -0.712 25443 9209 1 15 . 1 1 26 26 ASP CA C 26 57.429 57.429 57.583 -0.154 25443 9210 1 15 . 1 1 26 26 ASP CB C 26 41.612 41.612 40.672 0.940 25443 9211 1 15 . 1 1 26 26 ASP H H 26 7.859 7.859 7.597 0.262 25443 9212 1 15 . 1 1 27 27 ILE N N 27 118.864 118.864 120.440 -1.576 25443 9213 1 15 . 1 1 27 27 ILE HA H 27 3.534 3.534 3.661 -0.127 25443 9214 1 15 . 1 1 27 27 ILE C C 27 178.225 178.225 178.005 0.220 25443 9215 1 15 . 1 1 27 27 ILE CA C 27 65.627 65.627 65.218 0.409 25443 9216 1 15 . 1 1 27 27 ILE CB C 27 37.614 37.614 38.049 -0.435 25443 9217 1 15 . 1 1 27 27 ILE H H 27 8.055 8.055 7.677 0.378 25443 9218 1 15 . 1 1 28 28 LEU N N 28 119.416 119.416 120.818 -1.402 25443 9219 1 15 . 1 1 28 28 LEU HA H 28 3.861 3.861 4.241 -0.380 25443 9220 1 15 . 1 1 28 28 LEU C C 28 179.884 179.884 179.018 0.866 25443 9221 1 15 . 1 1 28 28 LEU CA C 28 58.758 58.758 58.288 0.470 25443 9222 1 15 . 1 1 28 28 LEU CB C 28 41.137 41.137 41.568 -0.431 25443 9223 1 15 . 1 1 28 28 LEU H H 28 8.423 8.423 8.381 0.042 25443 9224 1 15 . 1 1 29 29 THR N N 29 119.586 119.586 116.411 3.175 25443 9225 1 15 . 1 1 29 29 THR HA H 29 3.790 3.790 3.934 -0.144 25443 9226 1 15 . 1 1 29 29 THR C C 29 176.530 176.530 176.280 0.250 25443 9227 1 15 . 1 1 29 29 THR CA C 29 67.322 67.322 66.631 0.691 25443 9228 1 15 . 1 1 29 29 THR CB C 29 68.372 68.372 68.417 -0.045 25443 9229 1 15 . 1 1 29 29 THR H H 29 8.552 8.552 8.130 0.422 25443 9230 1 15 . 1 1 30 30 VAL N N 30 119.948 119.948 119.561 0.387 25443 9231 1 15 . 1 1 30 30 VAL HA H 30 3.601 3.601 3.604 -0.003 25443 9232 1 15 . 1 1 30 30 VAL C C 30 178.670 178.670 178.241 0.429 25443 9233 1 15 . 1 1 30 30 VAL CA C 30 66.081 66.081 66.037 0.045 25443 9234 1 15 . 1 1 30 30 VAL CB C 30 32.993 32.993 31.223 1.770 25443 9235 1 15 . 1 1 30 30 VAL H H 30 7.959 7.959 8.280 -0.321 25443 9236 1 15 . 1 1 31 31 PHE N N 31 113.636 113.636 118.619 -4.983 25443 9237 1 15 . 1 1 31 31 PHE HA H 31 4.006 4.006 4.462 -0.456 25443 9238 1 15 . 1 1 31 31 PHE C C 31 180.133 180.133 177.580 2.553 25443 9239 1 15 . 1 1 31 31 PHE CA C 31 62.266 62.266 60.273 1.994 25443 9240 1 15 . 1 1 31 31 PHE CB C 31 37.711 37.711 37.761 -0.050 25443 9241 1 15 . 1 1 31 31 PHE H H 31 8.726 8.726 7.968 0.758 25443 9242 1 15 . 1 1 32 32 SER N N 32 119.746 119.746 114.965 4.781 25443 9243 1 15 . 1 1 32 32 SER HA H 32 5.107 5.107 4.269 0.838 25443 9244 1 15 . 1 1 32 32 SER C C 32 173.450 173.450 175.624 -2.174 25443 9245 1 15 . 1 1 32 32 SER CA C 32 61.440 61.440 61.005 0.435 25443 9246 1 15 . 1 1 32 32 SER CB C 32 62.690 62.690 62.467 0.223 25443 9247 1 15 . 1 1 32 32 SER H H 32 8.564 8.564 7.872 0.692 25443 9248 1 15 . 1 1 33 33 GLU N N 33 118.689 118.689 120.019 -1.330 25443 9249 1 15 . 1 1 33 33 GLU HA H 33 3.854 3.854 3.923 -0.069 25443 9250 1 15 . 1 1 33 33 GLU C C 33 176.471 176.471 177.402 -0.931 25443 9251 1 15 . 1 1 33 33 GLU CA C 33 57.997 57.997 58.383 -0.386 25443 9252 1 15 . 1 1 33 33 GLU CB C 33 29.503 29.503 29.102 0.401 25443 9253 1 15 . 1 1 33 33 GLU H H 33 6.733 6.733 7.541 -0.808 25443 9254 1 15 . 1 1 34 34 TYR N N 34 111.313 111.313 116.354 -5.041 25443 9255 1 15 . 1 1 34 34 TYR HA H 34 4.469 4.469 4.591 -0.122 25443 9256 1 15 . 1 1 34 34 TYR C C 34 174.351 174.351 176.337 -1.986 25443 9257 1 15 . 1 1 34 34 TYR CA C 34 57.940 57.940 57.456 0.484 25443 9258 1 15 . 1 1 34 34 TYR CB C 34 39.557 39.557 38.918 0.639 25443 9259 1 15 . 1 1 34 34 TYR H H 34 6.662 6.662 7.083 -0.421 25443 9260 1 15 . 1 1 35 35 GLY N N 35 106.055 106.055 108.572 -2.517 25443 9261 1 15 . 1 1 35 35 GLY C C 35 170.709 170.709 173.917 -3.208 25443 9262 1 15 . 1 1 35 35 GLY CA C 35 45.230 45.230 45.299 -0.069 25443 9263 1 15 . 1 1 35 35 GLY H H 35 7.302 7.302 7.518 -0.216 25443 9264 1 15 . 1 1 36 36 VAL N N 36 121.596 121.596 121.268 0.328 25443 9265 1 15 . 1 1 36 36 VAL HA H 36 4.492 4.492 4.291 0.201 25443 9266 1 15 . 1 1 36 36 VAL CA C 36 59.912 59.912 59.198 0.714 25443 9267 1 15 . 1 1 36 36 VAL CB C 36 33.632 33.632 32.804 0.828 25443 9268 1 15 . 1 1 36 36 VAL H H 36 8.595 8.595 7.449 1.146 25443 9269 1 15 . 1 1 37 37 PRO HA H 37 4.499 4.499 4.685 -0.186 25443 9270 1 15 . 1 1 37 37 PRO C C 37 176.150 176.150 175.414 0.736 25443 9271 1 15 . 1 1 37 37 PRO CA C 37 62.320 62.320 61.956 0.364 25443 9272 1 15 . 1 1 37 37 PRO CB C 37 31.945 31.945 31.406 0.539 25443 9273 1 15 . 1 1 38 38 VAL N N 38 114.135 114.135 119.213 -5.078 25443 9274 1 15 . 1 1 38 38 VAL HA H 38 4.436 4.436 4.190 0.246 25443 9275 1 15 . 1 1 38 38 VAL C C 38 175.124 175.124 175.637 -0.513 25443 9276 1 15 . 1 1 38 38 VAL CA C 38 60.488 60.488 60.462 0.026 25443 9277 1 15 . 1 1 38 38 VAL CB C 38 32.560 32.560 33.000 -0.440 25443 9278 1 15 . 1 1 38 38 VAL H H 38 9.006 9.006 7.433 1.573 25443 9279 1 15 . 1 1 39 39 ASP N N 39 118.095 118.095 121.885 -3.790 25443 9280 1 15 . 1 1 39 39 ASP HA H 39 4.626 4.626 4.634 -0.008 25443 9281 1 15 . 1 1 39 39 ASP C C 39 174.577 174.577 174.900 -0.323 25443 9282 1 15 . 1 1 39 39 ASP CA C 39 54.706 54.706 54.626 0.080 25443 9283 1 15 . 1 1 39 39 ASP CB C 39 43.495 43.495 41.901 1.595 25443 9284 1 15 . 1 1 39 39 ASP H H 39 7.454 7.454 8.202 -0.748 25443 9285 1 15 . 1 1 40 40 VAL N N 40 121.566 121.566 121.580 -0.014 25443 9286 1 15 . 1 1 40 40 VAL HA H 40 4.897 4.897 4.792 0.105 25443 9287 1 15 . 1 1 40 40 VAL C C 40 170.928 170.928 174.670 -3.742 25443 9288 1 15 . 1 1 40 40 VAL CA C 40 60.729 60.729 60.865 -0.136 25443 9289 1 15 . 1 1 40 40 VAL CB C 40 34.373 34.373 35.076 -0.703 25443 9290 1 15 . 1 1 40 40 VAL H H 40 7.576 7.576 8.298 -0.722 25443 9291 1 15 . 1 1 41 41 ILE N N 41 125.247 125.247 129.131 -3.884 25443 9292 1 15 . 1 1 41 41 ILE HA H 41 4.752 4.752 4.796 -0.044 25443 9293 1 15 . 1 1 41 41 ILE C C 41 175.440 175.440 173.851 1.589 25443 9294 1 15 . 1 1 41 41 ILE CA C 41 61.609 61.609 60.452 1.157 25443 9295 1 15 . 1 1 41 41 ILE H H 41 8.929 8.929 9.437 -0.508 25443 9296 1 15 . 1 1 42 42 LEU N N 42 128.791 128.791 128.791 0.000 25443 9297 1 15 . 1 1 42 42 LEU HA H 42 4.387 4.387 4.726 -0.339 25443 9298 1 15 . 1 1 42 42 LEU C C 42 174.979 174.979 175.891 -0.912 25443 9299 1 15 . 1 1 42 42 LEU CA C 42 53.345 53.345 52.944 0.402 25443 9300 1 15 . 1 1 42 42 LEU CB C 42 43.298 43.298 45.782 -2.484 25443 9301 1 15 . 1 1 42 42 LEU H H 42 8.309 8.309 8.439 -0.130 25443 9302 1 15 . 1 1 43 43 SER N N 43 122.753 122.753 119.645 3.108 25443 9303 1 15 . 1 1 43 43 SER HA H 43 3.821 3.821 4.181 -0.360 25443 9304 1 15 . 1 1 43 43 SER C C 43 173.870 173.870 173.515 0.355 25443 9305 1 15 . 1 1 43 43 SER CA C 43 59.707 59.707 58.202 1.506 25443 9306 1 15 . 1 1 43 43 SER CB C 43 62.714 62.714 62.330 0.384 25443 9307 1 15 . 1 1 43 43 SER H H 43 8.317 8.317 8.104 0.213 25443 9308 1 15 . 1 1 44 44 ARG N N 44 128.068 128.068 125.837 2.231 25443 9309 1 15 . 1 1 44 44 ARG HA H 44 4.763 4.763 4.991 -0.228 25443 9310 1 15 . 1 1 44 44 ARG C C 44 175.094 175.094 175.779 -0.685 25443 9311 1 15 . 1 1 44 44 ARG CA C 44 54.100 54.100 53.536 0.564 25443 9312 1 15 . 1 1 44 44 ARG CB C 44 34.218 34.218 31.995 2.223 25443 9313 1 15 . 1 1 44 44 ARG H H 44 8.152 8.152 7.929 0.223 25443 9314 1 15 . 1 1 45 45 ASP N N 45 123.595 123.595 124.039 -0.444 25443 9315 1 15 . 1 1 45 45 ASP HA H 45 4.172 4.172 4.552 -0.380 25443 9316 1 15 . 1 1 45 45 ASP C C 45 177.467 177.467 176.573 0.894 25443 9317 1 15 . 1 1 45 45 ASP CA C 45 54.898 54.898 54.206 0.692 25443 9318 1 15 . 1 1 45 45 ASP CB C 45 43.568 43.568 43.310 0.258 25443 9319 1 15 . 1 1 45 45 ASP H H 45 8.628 8.628 8.611 0.017 25443 9320 1 15 . 1 1 46 46 GLU N N 46 125.161 125.161 124.505 0.656 25443 9321 1 15 . 1 1 46 46 GLU HA H 46 3.843 3.843 4.194 -0.351 25443 9322 1 15 . 1 1 46 46 GLU C C 46 175.690 175.690 176.704 -1.014 25443 9323 1 15 . 1 1 46 46 GLU CA C 46 58.861 58.861 58.396 0.465 25443 9324 1 15 . 1 1 46 46 GLU CB C 46 29.636 29.636 29.734 -0.098 25443 9325 1 15 . 1 1 46 46 GLU H H 46 9.013 9.013 8.895 0.118 25443 9326 1 15 . 1 1 47 47 ASN N N 47 115.135 115.135 116.888 -1.753 25443 9327 1 15 . 1 1 47 47 ASN HA H 47 4.842 4.842 4.785 0.057 25443 9328 1 15 . 1 1 47 47 ASN C C 47 176.655 176.655 177.050 -0.395 25443 9329 1 15 . 1 1 47 47 ASN CA C 47 54.897 54.897 54.605 0.292 25443 9330 1 15 . 1 1 47 47 ASN CB C 47 40.141 40.141 39.621 0.520 25443 9331 1 15 . 1 1 47 47 ASN H H 47 8.926 8.926 8.750 0.176 25443 9332 1 15 . 1 1 48 48 THR N N 48 107.544 107.544 112.905 -5.361 25443 9333 1 15 . 1 1 48 48 THR HA H 48 4.400 4.400 4.423 -0.023 25443 9334 1 15 . 1 1 48 48 THR C C 48 176.484 176.484 175.431 1.053 25443 9335 1 15 . 1 1 48 48 THR CA C 48 61.513 61.513 62.590 -1.077 25443 9336 1 15 . 1 1 48 48 THR CB C 48 71.189 71.189 69.590 1.599 25443 9337 1 15 . 1 1 48 48 THR H H 48 8.455 8.455 8.780 -0.325 25443 9338 1 15 . 1 1 49 49 GLY N N 49 111.753 111.753 109.624 2.129 25443 9339 1 15 . 1 1 49 49 GLY C C 49 173.167 173.167 173.519 -0.352 25443 9340 1 15 . 1 1 49 49 GLY CA C 49 45.628 45.628 45.366 0.262 25443 9341 1 15 . 1 1 49 49 GLY H H 49 8.607 8.607 7.849 0.758 25443 9342 1 15 . 1 1 50 50 GLU N N 50 119.978 119.978 118.005 1.973 25443 9343 1 15 . 1 1 50 50 GLU HA H 50 4.071 4.071 4.532 -0.461 25443 9344 1 15 . 1 1 50 50 GLU C C 50 176.629 176.629 176.127 0.502 25443 9345 1 15 . 1 1 50 50 GLU CA C 50 56.500 56.500 54.421 2.079 25443 9346 1 15 . 1 1 50 50 GLU CB C 50 30.927 30.927 31.250 -0.323 25443 9347 1 15 . 1 1 50 50 GLU H H 50 7.796 7.796 7.961 -0.165 25443 9348 1 15 . 1 1 51 51 SER N N 51 115.672 115.672 115.067 0.605 25443 9349 1 15 . 1 1 51 51 SER HA H 51 4.205 4.205 4.995 -0.790 25443 9350 1 15 . 1 1 51 51 SER C C 51 176.532 176.532 175.277 1.255 25443 9351 1 15 . 1 1 51 51 SER CA C 51 58.320 58.320 58.797 -0.477 25443 9352 1 15 . 1 1 51 51 SER CB C 51 64.596 64.596 63.753 0.843 25443 9353 1 15 . 1 1 51 51 SER H H 51 8.889 8.889 8.795 0.094 25443 9354 1 15 . 1 1 52 52 GLN N N 52 123.139 123.139 123.710 -0.571 25443 9355 1 15 . 1 1 52 52 GLN HA H 52 4.421 4.421 4.378 0.043 25443 9356 1 15 . 1 1 52 52 GLN C C 52 177.396 177.396 177.051 0.345 25443 9357 1 15 . 1 1 52 52 GLN CA C 52 55.051 55.051 56.180 -1.129 25443 9358 1 15 . 1 1 52 52 GLN CB C 52 29.874 29.874 29.511 0.363 25443 9359 1 15 . 1 1 52 52 GLN H H 52 9.078 9.078 8.498 0.580 25443 9360 1 15 . 1 1 53 53 GLY N N 53 105.904 105.904 106.151 -0.247 25443 9361 1 15 . 1 1 53 53 GLY C C 53 172.046 172.046 173.004 -0.958 25443 9362 1 15 . 1 1 53 53 GLY CA C 53 46.550 46.550 44.892 1.659 25443 9363 1 15 . 1 1 53 53 GLY H H 53 8.851 8.851 7.884 0.967 25443 9364 1 15 . 1 1 54 54 PHE N N 54 111.888 111.888 113.759 -1.871 25443 9365 1 15 . 1 1 54 54 PHE HA H 54 5.253 5.253 5.018 0.235 25443 9366 1 15 . 1 1 54 54 PHE C C 54 171.570 171.570 172.465 -0.895 25443 9367 1 15 . 1 1 54 54 PHE CA C 54 55.592 55.592 55.115 0.477 25443 9368 1 15 . 1 1 54 54 PHE CB C 54 40.806 40.806 40.507 0.299 25443 9369 1 15 . 1 1 54 54 PHE H H 54 6.827 6.827 7.307 -0.480 25443 9370 1 15 . 1 1 55 55 ALA N N 55 121.888 121.888 120.928 0.960 25443 9371 1 15 . 1 1 55 55 ALA HA H 55 5.032 5.032 4.691 0.341 25443 9372 1 15 . 1 1 55 55 ALA C C 55 172.957 172.957 174.361 -1.404 25443 9373 1 15 . 1 1 55 55 ALA CA C 55 49.477 49.477 50.850 -1.373 25443 9374 1 15 . 1 1 55 55 ALA H H 55 8.927 8.927 8.106 0.821 25443 9375 1 15 . 1 1 56 56 TYR N N 56 115.049 115.049 116.233 -1.184 25443 9376 1 15 . 1 1 56 56 TYR HA H 56 5.602 5.602 5.808 -0.206 25443 9377 1 15 . 1 1 56 56 TYR C C 56 175.162 175.162 174.341 0.821 25443 9378 1 15 . 1 1 56 56 TYR CA C 56 55.444 55.444 56.534 -1.090 25443 9379 1 15 . 1 1 56 56 TYR CB C 56 42.189 42.189 42.271 -0.082 25443 9380 1 15 . 1 1 56 56 TYR H H 56 9.020 9.020 9.046 -0.026 25443 9381 1 15 . 1 1 57 57 LEU N N 57 122.745 122.745 123.661 -0.916 25443 9382 1 15 . 1 1 57 57 LEU HA H 57 4.713 4.713 4.987 -0.274 25443 9383 1 15 . 1 1 57 57 LEU C C 57 172.371 172.371 174.767 -2.396 25443 9384 1 15 . 1 1 57 57 LEU CA C 57 54.712 54.712 53.916 0.797 25443 9385 1 15 . 1 1 57 57 LEU CB C 57 46.754 46.754 46.214 0.540 25443 9386 1 15 . 1 1 57 57 LEU H H 57 8.706 8.706 8.938 -0.232 25443 9387 1 15 . 1 1 58 58 LYS N N 58 125.469 125.469 127.185 -1.716 25443 9388 1 15 . 1 1 58 58 LYS HA H 58 4.467 4.467 4.795 -0.328 25443 9389 1 15 . 1 1 58 58 LYS C C 58 175.152 175.152 174.171 0.981 25443 9390 1 15 . 1 1 58 58 LYS CA C 58 54.494 54.494 54.369 0.125 25443 9391 1 15 . 1 1 58 58 LYS CB C 58 36.479 36.479 34.555 1.924 25443 9392 1 15 . 1 1 58 58 LYS H H 58 7.948 7.948 9.000 -1.052 25443 9393 1 15 . 1 1 59 59 TYR N N 59 126.261 126.261 121.445 4.816 25443 9394 1 15 . 1 1 59 59 TYR HA H 59 5.003 5.003 4.657 0.346 25443 9395 1 15 . 1 1 59 59 TYR C C 59 176.020 176.020 174.184 1.836 25443 9396 1 15 . 1 1 59 59 TYR CA C 59 57.992 57.992 55.074 2.918 25443 9397 1 15 . 1 1 59 59 TYR CB C 59 41.715 41.715 40.714 1.001 25443 9398 1 15 . 1 1 59 59 TYR H H 59 8.957 8.957 7.870 1.087 25443 9399 1 15 . 1 1 60 60 GLU N N 60 120.342 120.342 123.520 -3.178 25443 9400 1 15 . 1 1 60 60 GLU HA H 60 3.839 3.839 4.442 -0.604 25443 9401 1 15 . 1 1 60 60 GLU C C 60 175.346 175.346 175.598 -0.252 25443 9402 1 15 . 1 1 60 60 GLU CA C 60 59.057 59.057 55.740 3.317 25443 9403 1 15 . 1 1 60 60 GLU CB C 60 30.653 30.653 30.047 0.605 25443 9404 1 15 . 1 1 60 60 GLU H H 60 8.845 8.845 8.634 0.211 25443 9405 1 15 . 1 1 61 61 ASP N N 61 116.193 116.193 125.917 -9.724 25443 9406 1 15 . 1 1 61 61 ASP HA H 61 4.915 4.915 4.714 0.201 25443 9407 1 15 . 1 1 61 61 ASP C C 61 176.659 176.659 175.493 1.166 25443 9408 1 15 . 1 1 61 61 ASP CA C 61 51.856 51.856 54.682 -2.826 25443 9409 1 15 . 1 1 61 61 ASP CB C 61 43.726 43.726 42.452 1.274 25443 9410 1 15 . 1 1 61 61 ASP H H 61 7.922 7.922 8.215 -0.293 25443 9411 1 15 . 1 1 62 62 GLN N N 62 125.812 125.812 125.600 0.212 25443 9412 1 15 . 1 1 62 62 GLN HA H 62 4.221 4.221 4.241 -0.020 25443 9413 1 15 . 1 1 62 62 GLN C C 62 178.430 178.430 176.799 1.631 25443 9414 1 15 . 1 1 62 62 GLN CA C 62 58.449 58.449 57.650 0.799 25443 9415 1 15 . 1 1 62 62 GLN CB C 62 28.076 28.076 29.238 -1.162 25443 9416 1 15 . 1 1 62 62 GLN H H 62 8.964 8.964 8.812 0.152 25443 9417 1 15 . 1 1 63 63 ARG N N 63 120.943 120.943 119.542 1.401 25443 9418 1 15 . 1 1 63 63 ARG HA H 63 3.979 3.979 4.318 -0.339 25443 9419 1 15 . 1 1 63 63 ARG C C 63 179.350 179.350 178.337 1.013 25443 9420 1 15 . 1 1 63 63 ARG CA C 63 59.398 59.398 58.297 1.101 25443 9421 1 15 . 1 1 63 63 ARG CB C 63 29.466 29.466 29.727 -0.262 25443 9422 1 15 . 1 1 63 63 ARG H H 63 8.965 8.965 8.490 0.475 25443 9423 1 15 . 1 1 64 64 SER N N 64 115.358 115.358 114.525 0.833 25443 9424 1 15 . 1 1 64 64 SER HA H 64 3.898 3.898 4.344 -0.446 25443 9425 1 15 . 1 1 64 64 SER C C 64 174.444 174.444 176.324 -1.880 25443 9426 1 15 . 1 1 64 64 SER CA C 64 62.459 62.459 61.490 0.969 25443 9427 1 15 . 1 1 64 64 SER CB C 64 62.040 62.040 62.321 -0.281 25443 9428 1 15 . 1 1 64 64 SER H H 64 8.065 8.065 8.918 -0.853 25443 9429 1 15 . 1 1 65 65 THR N N 65 113.614 113.614 117.276 -3.662 25443 9430 1 15 . 1 1 65 65 THR HA H 65 3.751 3.751 4.440 -0.689 25443 9431 1 15 . 1 1 65 65 THR C C 65 175.357 175.357 176.629 -1.272 25443 9432 1 15 . 1 1 65 65 THR CA C 65 66.292 66.292 65.704 0.588 25443 9433 1 15 . 1 1 65 65 THR CB C 65 68.457 68.457 68.206 0.251 25443 9434 1 15 . 1 1 65 65 THR H H 65 7.484 7.484 7.774 -0.290 25443 9435 1 15 . 1 1 66 66 ILE N N 66 120.736 120.736 122.198 -1.462 25443 9436 1 15 . 1 1 66 66 ILE HA H 66 3.653 3.653 3.975 -0.322 25443 9437 1 15 . 1 1 66 66 ILE C C 66 177.518 177.518 177.625 -0.107 25443 9438 1 15 . 1 1 66 66 ILE CA C 66 64.014 64.014 64.585 -0.571 25443 9439 1 15 . 1 1 66 66 ILE CB C 66 42.194 42.194 37.366 4.828 25443 9440 1 15 . 1 1 66 66 ILE H H 66 6.976 6.976 7.607 -0.631 25443 9441 1 15 . 1 1 67 67 LEU N N 67 117.584 117.584 121.649 -4.065 25443 9442 1 15 . 1 1 67 67 LEU HA H 67 3.921 3.921 3.903 0.018 25443 9443 1 15 . 1 1 67 67 LEU C C 67 179.650 179.650 178.223 1.427 25443 9444 1 15 . 1 1 67 67 LEU CA C 67 57.452 57.452 58.277 -0.825 25443 9445 1 15 . 1 1 67 67 LEU CB C 67 42.172 42.172 41.320 0.852 25443 9446 1 15 . 1 1 67 67 LEU H H 67 7.006 7.006 7.747 -0.741 25443 9447 1 15 . 1 1 68 68 ALA N N 68 121.025 121.025 120.562 0.463 25443 9448 1 15 . 1 1 68 68 ALA HA H 68 3.285 3.285 3.380 -0.095 25443 9449 1 15 . 1 1 68 68 ALA C C 68 179.216 179.216 179.793 -0.577 25443 9450 1 15 . 1 1 68 68 ALA CA C 68 55.564 55.564 54.813 0.751 25443 9451 1 15 . 1 1 68 68 ALA CB C 68 18.852 18.852 17.814 1.038 25443 9452 1 15 . 1 1 68 68 ALA H H 68 8.121 8.121 8.108 0.013 25443 9453 1 15 . 1 1 69 69 VAL N N 69 117.799 117.799 119.052 -1.253 25443 9454 1 15 . 1 1 69 69 VAL HA H 69 3.243 3.243 3.515 -0.272 25443 9455 1 15 . 1 1 69 69 VAL C C 69 178.541 178.541 177.848 0.693 25443 9456 1 15 . 1 1 69 69 VAL CA C 69 67.237 67.237 67.215 0.022 25443 9457 1 15 . 1 1 69 69 VAL CB C 69 31.679 31.679 31.737 -0.058 25443 9458 1 15 . 1 1 69 69 VAL H H 69 8.012 8.012 7.769 0.243 25443 9459 1 15 . 1 1 70 70 ASP N N 70 117.013 117.013 117.649 -0.636 25443 9460 1 15 . 1 1 70 70 ASP HA H 70 4.339 4.339 4.403 -0.064 25443 9461 1 15 . 1 1 70 70 ASP C C 70 178.330 178.330 177.400 0.930 25443 9462 1 15 . 1 1 70 70 ASP CA C 70 57.131 57.131 57.194 -0.063 25443 9463 1 15 . 1 1 70 70 ASP CB C 70 40.465 40.465 40.542 -0.077 25443 9464 1 15 . 1 1 70 70 ASP H H 70 8.216 8.216 8.239 -0.023 25443 9465 1 15 . 1 1 71 71 ASN N N 71 112.777 112.777 117.098 -4.321 25443 9466 1 15 . 1 1 71 71 ASN HA H 71 4.587 4.587 4.590 -0.003 25443 9467 1 15 . 1 1 71 71 ASN C C 71 176.314 176.314 176.984 -0.670 25443 9468 1 15 . 1 1 71 71 ASN CA C 71 55.474 55.474 55.370 0.104 25443 9469 1 15 . 1 1 71 71 ASN CB C 71 40.592 40.592 39.312 1.280 25443 9470 1 15 . 1 1 71 71 ASN H H 71 7.582 7.582 8.052 -0.470 25443 9471 1 15 . 1 1 72 72 LEU N N 72 116.551 116.551 118.500 -1.949 25443 9472 1 15 . 1 1 72 72 LEU HA H 72 4.494 4.494 4.318 0.176 25443 9473 1 15 . 1 1 72 72 LEU C C 72 177.500 177.500 177.063 0.437 25443 9474 1 15 . 1 1 72 72 LEU CA C 72 54.590 54.590 55.689 -1.099 25443 9475 1 15 . 1 1 72 72 LEU CB C 72 42.862 42.862 42.613 0.249 25443 9476 1 15 . 1 1 72 72 LEU H H 72 8.201 8.201 7.859 0.342 25443 9477 1 15 . 1 1 73 73 ASN N N 73 118.974 118.974 118.370 0.604 25443 9478 1 15 . 1 1 73 73 ASN HA H 73 4.392 4.392 4.705 -0.313 25443 9479 1 15 . 1 1 73 73 ASN C C 73 177.151 177.151 176.656 0.495 25443 9480 1 15 . 1 1 73 73 ASN CA C 73 56.276 56.276 54.971 1.306 25443 9481 1 15 . 1 1 73 73 ASN CB C 73 38.853 38.853 37.960 0.893 25443 9482 1 15 . 1 1 73 73 ASN H H 73 7.406 7.406 8.228 -0.822 25443 9483 1 15 . 1 1 74 74 GLY N N 74 116.478 116.478 114.275 2.203 25443 9484 1 15 . 1 1 74 74 GLY C C 74 172.756 172.756 173.994 -1.238 25443 9485 1 15 . 1 1 74 74 GLY CA C 74 45.662 45.662 45.072 0.590 25443 9486 1 15 . 1 1 74 74 GLY H H 74 9.106 9.106 9.001 0.105 25443 9487 1 15 . 1 1 75 75 PHE N N 75 123.853 123.853 122.830 1.023 25443 9488 1 15 . 1 1 75 75 PHE HA H 75 4.328 4.328 4.472 -0.144 25443 9489 1 15 . 1 1 75 75 PHE C C 75 175.065 175.065 174.775 0.290 25443 9490 1 15 . 1 1 75 75 PHE CA C 75 58.371 58.371 57.899 0.472 25443 9491 1 15 . 1 1 75 75 PHE CB C 75 40.947 40.947 40.098 0.849 25443 9492 1 15 . 1 1 75 75 PHE H H 75 8.074 8.074 8.166 -0.092 25443 9493 1 15 . 1 1 76 76 LYS N N 76 126.700 126.700 127.421 -0.721 25443 9494 1 15 . 1 1 76 76 LYS HA H 76 4.536 4.536 4.383 0.153 25443 9495 1 15 . 1 1 76 76 LYS C C 76 175.395 175.395 175.542 -0.147 25443 9496 1 15 . 1 1 76 76 LYS CA C 76 56.227 56.227 55.618 0.609 25443 9497 1 15 . 1 1 76 76 LYS CB C 76 32.969 32.969 32.128 0.841 25443 9498 1 15 . 1 1 76 76 LYS H H 76 7.766 7.766 8.013 -0.247 25443 9499 1 15 . 1 1 77 77 ILE N N 77 120.686 120.686 125.604 -4.918 25443 9500 1 15 . 1 1 77 77 ILE HA H 77 4.231 4.231 4.170 0.061 25443 9501 1 15 . 1 1 77 77 ILE C C 77 177.605 177.605 176.514 1.091 25443 9502 1 15 . 1 1 77 77 ILE CA C 77 59.981 59.981 59.940 0.042 25443 9503 1 15 . 1 1 77 77 ILE CB C 77 40.409 40.409 38.110 2.299 25443 9504 1 15 . 1 1 77 77 ILE H H 77 8.005 8.005 8.925 -0.920 25443 9505 1 15 . 1 1 78 78 GLY N N 78 118.352 118.352 115.926 2.426 25443 9506 1 15 . 1 1 78 78 GLY C C 78 175.639 175.639 175.361 0.278 25443 9507 1 15 . 1 1 78 78 GLY CA C 78 47.227 47.227 45.537 1.690 25443 9508 1 15 . 1 1 78 78 GLY H H 78 9.800 9.800 9.083 0.717 25443 9509 1 15 . 1 1 79 79 GLY N N 79 104.167 104.167 102.988 1.179 25443 9510 1 15 . 1 1 79 79 GLY C C 79 173.371 173.371 173.946 -0.575 25443 9511 1 15 . 1 1 79 79 GLY CA C 79 45.037 45.037 44.793 0.244 25443 9512 1 15 . 1 1 79 79 GLY H H 79 8.795 8.795 8.198 0.597 25443 9513 1 15 . 1 1 80 80 ARG N N 80 119.090 119.090 121.716 -2.626 25443 9514 1 15 . 1 1 80 80 ARG HA H 80 4.590 4.590 4.709 -0.119 25443 9515 1 15 . 1 1 80 80 ARG C C 80 174.563 174.563 174.717 -0.154 25443 9516 1 15 . 1 1 80 80 ARG CA C 80 54.615 54.615 53.792 0.823 25443 9517 1 15 . 1 1 80 80 ARG CB C 80 33.487 33.487 31.717 1.770 25443 9518 1 15 . 1 1 80 80 ARG H H 80 7.281 7.281 7.615 -0.334 25443 9519 1 15 . 1 1 81 81 ALA N N 81 126.039 126.039 127.574 -1.535 25443 9520 1 15 . 1 1 81 81 ALA HA H 81 4.216 4.216 4.902 -0.686 25443 9521 1 15 . 1 1 81 81 ALA C C 81 177.149 177.149 177.150 -0.001 25443 9522 1 15 . 1 1 81 81 ALA CA C 81 51.081 51.081 51.098 -0.017 25443 9523 1 15 . 1 1 81 81 ALA CB C 81 19.226 19.226 19.632 -0.406 25443 9524 1 15 . 1 1 81 81 ALA H H 81 8.651 8.651 8.523 0.128 25443 9525 1 15 . 1 1 82 82 LEU N N 82 125.451 125.451 125.172 0.279 25443 9526 1 15 . 1 1 82 82 LEU HA H 82 4.390 4.390 4.288 0.102 25443 9527 1 15 . 1 1 82 82 LEU C C 82 177.498 177.498 176.805 0.693 25443 9528 1 15 . 1 1 82 82 LEU CA C 82 56.065 56.065 55.071 0.994 25443 9529 1 15 . 1 1 82 82 LEU CB C 82 43.267 43.267 42.557 0.710 25443 9530 1 15 . 1 1 82 82 LEU H H 82 8.805 8.805 8.715 0.090 25443 9531 1 15 . 1 1 83 83 LYS N N 83 123.253 123.253 125.397 -2.144 25443 9532 1 15 . 1 1 83 83 LYS C C 83 174.892 174.892 175.046 -0.154 25443 9533 1 15 . 1 1 83 83 LYS CA C 83 54.892 54.892 54.338 0.554 25443 9534 1 15 . 1 1 83 83 LYS H H 83 7.768 7.768 8.570 -0.802 25443 9535 1 15 . 1 1 84 84 ILE N N 84 125.577 125.577 126.284 -0.707 25443 9536 1 15 . 1 1 84 84 ILE HA H 84 5.581 5.581 5.372 0.209 25443 9537 1 15 . 1 1 84 84 ILE C C 84 174.901 174.901 176.115 -1.214 25443 9538 1 15 . 1 1 84 84 ILE CA C 84 58.803 58.803 58.303 0.500 25443 9539 1 15 . 1 1 84 84 ILE CB C 84 40.306 40.306 39.240 1.066 25443 9540 1 15 . 1 1 84 84 ILE H H 84 8.616 8.616 8.583 0.033 25443 9541 1 15 . 1 1 85 85 ASP N N 85 125.373 125.373 125.539 -0.166 25443 9542 1 15 . 1 1 85 85 ASP HA H 85 4.909 4.909 5.126 -0.217 25443 9543 1 15 . 1 1 85 85 ASP C C 85 174.826 174.826 174.557 0.269 25443 9544 1 15 . 1 1 85 85 ASP CA C 85 52.372 52.372 52.594 -0.222 25443 9545 1 15 . 1 1 85 85 ASP CB C 85 45.290 45.290 44.637 0.653 25443 9546 1 15 . 1 1 85 85 ASP H H 85 8.907 8.907 8.812 0.095 25443 9547 1 15 . 1 1 86 86 HIS N N 86 121.396 121.396 119.954 1.442 25443 9548 1 15 . 1 1 86 86 HIS CA C 86 57.540 57.540 56.117 1.423 25443 9549 1 15 . 1 1 86 86 HIS CB C 86 30.985 30.985 31.378 -0.393 25443 9550 1 15 . 1 1 86 86 HIS H H 86 8.970 8.970 8.804 0.166 25443 9551 1 15 . 1 1 87 87 THR N N 87 116.761 116.761 117.910 -1.149 25443 9552 1 15 . 1 1 87 87 THR HA H 87 4.652 4.652 4.622 0.030 25443 9553 1 15 . 1 1 87 87 THR C C 87 171.272 171.272 173.007 -1.735 25443 9554 1 15 . 1 1 87 87 THR CA C 87 60.710 60.710 61.138 -0.428 25443 9555 1 15 . 1 1 87 87 THR CB C 87 69.764 69.764 70.657 -0.893 25443 9556 1 15 . 1 1 87 87 THR H H 87 8.557 8.557 8.555 0.002 25443 9557 1 15 . 1 1 88 88 PHE N N 88 120.343 120.343 126.296 -5.953 25443 9558 1 15 . 1 1 88 88 PHE HA H 88 5.273 5.273 4.886 0.387 25443 9559 1 15 . 1 1 88 88 PHE C C 88 174.288 174.288 173.217 1.071 25443 9560 1 15 . 1 1 88 88 PHE CA C 88 55.959 55.959 56.480 -0.520 25443 9561 1 15 . 1 1 88 88 PHE CB C 88 41.079 41.079 40.596 0.483 25443 9562 1 15 . 1 1 88 88 PHE H H 88 8.114 8.114 8.517 -0.403 25443 9563 1 15 . 1 1 89 89 TYR N N 89 123.043 123.043 128.462 -5.419 25443 9564 1 15 . 1 1 89 89 TYR HA H 89 4.026 4.026 4.099 -0.073 25443 9565 1 15 . 1 1 89 89 TYR C C 89 173.155 173.155 173.069 0.086 25443 9566 1 15 . 1 1 89 89 TYR CA C 89 57.493 57.493 56.219 1.274 25443 9567 1 15 . 1 1 89 89 TYR CB C 89 39.829 39.829 39.961 -0.132 25443 9568 1 15 . 1 1 89 89 TYR H H 89 8.176 8.176 7.644 0.532 25443 9569 1 15 . 1 1 90 90 ARG N N 90 129.004 129.004 126.968 2.036 25443 9570 1 15 . 1 1 90 90 ARG HA H 90 4.398 4.398 4.285 0.113 25443 9571 1 15 . 1 1 90 90 ARG CA C 90 51.548 51.548 51.545 0.003 25443 9572 1 15 . 1 1 90 90 ARG CB C 90 30.882 30.882 29.809 1.073 25443 9573 1 15 . 1 1 90 90 ARG H H 90 7.078 7.078 7.471 -0.393 25443 9574 1 15 . 1 1 91 91 PRO HA H 91 4.155 4.155 4.280 -0.125 25443 9575 1 15 . 1 1 91 91 PRO C C 91 176.340 176.340 176.599 -0.259 25443 9576 1 15 . 1 1 91 91 PRO CA C 91 62.454 62.454 62.349 0.104 25443 9577 1 15 . 1 1 91 91 PRO CB C 91 33.072 33.072 31.739 1.333 25443 9578 1 15 . 1 1 92 92 LYS N N 92 119.682 119.682 122.766 -3.084 25443 9579 1 15 . 1 1 92 92 LYS CA C 92 54.711 54.711 54.541 0.170 25443 9580 1 15 . 1 1 92 92 LYS H H 92 8.644 8.644 8.516 0.128 25443 9581 1 15 . 1 1 93 93 ARG C C 93 178.899 178.899 177.614 1.285 25443 9582 1 15 . 1 1 93 93 ARG CA C 93 59.125 59.125 59.459 -0.334 25443 9583 1 15 . 1 1 94 94 SER N N 94 112.166 112.166 114.791 -2.625 25443 9584 1 15 . 1 1 94 94 SER HA H 94 4.176 4.176 4.318 -0.142 25443 9585 1 15 . 1 1 94 94 SER C C 94 175.776 175.776 175.249 0.527 25443 9586 1 15 . 1 1 94 94 SER CA C 94 60.031 60.031 60.257 -0.226 25443 9587 1 15 . 1 1 94 94 SER CB C 94 62.152 62.152 62.771 -0.619 25443 9588 1 15 . 1 1 94 94 SER H H 94 8.299 8.299 8.294 0.005 25443 9589 1 15 . 1 1 95 95 LEU N N 95 122.179 122.179 119.974 2.205 25443 9590 1 15 . 1 1 95 95 LEU HA H 95 4.651 4.651 4.513 0.138 25443 9591 1 15 . 1 1 95 95 LEU C C 95 175.381 175.381 176.543 -1.162 25443 9592 1 15 . 1 1 95 95 LEU CA C 95 53.934 53.934 53.413 0.521 25443 9593 1 15 . 1 1 95 95 LEU CB C 95 41.861 41.861 41.047 0.814 25443 9594 1 15 . 1 1 95 95 LEU H H 95 7.159 7.159 7.766 -0.607 25443 9595 1 15 . 1 1 96 96 GLN N N 96 118.834 118.834 120.650 -1.816 25443 9596 1 15 . 1 1 96 96 GLN HA H 96 4.030 4.030 4.057 -0.027 25443 9597 1 15 . 1 1 96 96 GLN C C 96 177.751 177.751 177.502 0.249 25443 9598 1 15 . 1 1 96 96 GLN CA C 96 60.705 60.705 59.600 1.105 25443 9599 1 15 . 1 1 96 96 GLN CB C 96 28.822 28.822 28.312 0.510 25443 9600 1 15 . 1 1 96 96 GLN H H 96 7.329 7.329 7.878 -0.549 25443 9601 1 15 . 1 1 97 97 LYS N N 97 116.469 116.469 119.447 -2.978 25443 9602 1 15 . 1 1 97 97 LYS HA H 97 4.060 4.060 4.011 0.049 25443 9603 1 15 . 1 1 97 97 LYS C C 97 179.164 179.164 178.995 0.169 25443 9604 1 15 . 1 1 97 97 LYS CA C 97 59.430 59.430 59.127 0.303 25443 9605 1 15 . 1 1 97 97 LYS CB C 97 31.511 31.511 31.463 0.048 25443 9606 1 15 . 1 1 97 97 LYS H H 97 8.614 8.614 8.405 0.209 25443 9607 1 15 . 1 1 98 98 TYR N N 98 124.165 124.165 121.047 3.118 25443 9608 1 15 . 1 1 98 98 TYR HA H 98 4.079 4.079 4.136 -0.057 25443 9609 1 15 . 1 1 98 98 TYR C C 98 177.316 177.316 177.969 -0.653 25443 9610 1 15 . 1 1 98 98 TYR CA C 98 62.205 62.205 61.456 0.750 25443 9611 1 15 . 1 1 98 98 TYR CB C 98 37.162 37.162 38.058 -0.896 25443 9612 1 15 . 1 1 98 98 TYR H H 98 7.585 7.585 7.373 0.212 25443 9613 1 15 . 1 1 99 99 TYR N N 99 117.955 117.955 118.173 -0.218 25443 9614 1 15 . 1 1 99 99 TYR HA H 99 5.078 5.078 4.001 1.077 25443 9615 1 15 . 1 1 99 99 TYR C C 99 180.957 180.957 178.546 2.411 25443 9616 1 15 . 1 1 99 99 TYR CA C 99 57.741 57.741 59.790 -2.049 25443 9617 1 15 . 1 1 99 99 TYR CB C 99 37.083 37.083 37.309 -0.226 25443 9618 1 15 . 1 1 99 99 TYR H H 99 8.660 8.660 7.922 0.738 25443 9619 1 15 . 1 1 100 100 GLU N N 100 118.796 118.796 119.260 -0.464 25443 9620 1 15 . 1 1 100 100 GLU HA H 100 4.024 4.024 3.908 0.116 25443 9621 1 15 . 1 1 100 100 GLU C C 100 178.571 178.571 178.778 -0.207 25443 9622 1 15 . 1 1 100 100 GLU CA C 100 59.400 59.400 59.495 -0.095 25443 9623 1 15 . 1 1 100 100 GLU CB C 100 29.660 29.660 29.410 0.250 25443 9624 1 15 . 1 1 100 100 GLU H H 100 8.263 8.263 8.795 -0.532 25443 9625 1 15 . 1 1 101 101 ALA N N 101 123.346 123.346 122.412 0.934 25443 9626 1 15 . 1 1 101 101 ALA HA H 101 4.244 4.244 4.031 0.213 25443 9627 1 15 . 1 1 101 101 ALA C C 101 181.331 181.331 179.450 1.881 25443 9628 1 15 . 1 1 101 101 ALA CA C 101 54.851 54.851 55.222 -0.371 25443 9629 1 15 . 1 1 101 101 ALA CB C 101 18.559 18.559 18.438 0.121 25443 9630 1 15 . 1 1 101 101 ALA H H 101 7.966 7.966 7.826 0.140 25443 9631 1 15 . 1 1 102 102 VAL N N 102 120.241 120.241 118.932 1.309 25443 9632 1 15 . 1 1 102 102 VAL HA H 102 3.713 3.713 3.528 0.185 25443 9633 1 15 . 1 1 102 102 VAL C C 102 176.967 176.967 177.859 -0.892 25443 9634 1 15 . 1 1 102 102 VAL CA C 102 67.433 67.433 66.301 1.132 25443 9635 1 15 . 1 1 102 102 VAL CB C 102 31.721 31.721 30.678 1.043 25443 9636 1 15 . 1 1 102 102 VAL H H 102 8.331 8.331 8.195 0.136 25443 9637 1 15 . 1 1 103 103 LYS N N 103 120.001 120.001 120.498 -0.497 25443 9638 1 15 . 1 1 103 103 LYS HA H 103 3.859 3.859 3.871 -0.012 25443 9639 1 15 . 1 1 103 103 LYS C C 103 178.500 178.500 178.857 -0.357 25443 9640 1 15 . 1 1 103 103 LYS CA C 103 59.652 59.652 60.222 -0.570 25443 9641 1 15 . 1 1 103 103 LYS CB C 103 32.040 32.040 32.286 -0.246 25443 9642 1 15 . 1 1 103 103 LYS H H 103 8.201 8.201 8.264 -0.063 25443 9643 1 15 . 1 1 104 104 GLU N N 104 116.335 116.335 119.034 -2.699 25443 9644 1 15 . 1 1 104 104 GLU HA H 104 3.928 3.928 4.015 -0.087 25443 9645 1 15 . 1 1 104 104 GLU C C 104 178.645 178.645 179.017 -0.372 25443 9646 1 15 . 1 1 104 104 GLU CA C 104 59.110 59.110 59.348 -0.238 25443 9647 1 15 . 1 1 104 104 GLU CB C 104 29.607 29.607 29.096 0.511 25443 9648 1 15 . 1 1 104 104 GLU H H 104 7.909 7.909 7.786 0.123 25443 9649 1 15 . 1 1 105 105 GLU N N 105 119.210 119.210 119.695 -0.485 25443 9650 1 15 . 1 1 105 105 GLU HA H 105 3.844 3.844 4.081 -0.237 25443 9651 1 15 . 1 1 105 105 GLU C C 105 178.613 178.613 179.498 -0.885 25443 9652 1 15 . 1 1 105 105 GLU CA C 105 58.162 58.162 58.982 -0.820 25443 9653 1 15 . 1 1 105 105 GLU CB C 105 29.754 29.754 29.226 0.528 25443 9654 1 15 . 1 1 105 105 GLU H H 105 7.257 7.257 7.776 -0.519 25443 9655 1 15 . 1 1 106 106 LEU N N 106 117.408 117.408 119.713 -2.305 25443 9656 1 15 . 1 1 106 106 LEU HA H 106 3.976 3.976 3.969 0.007 25443 9657 1 15 . 1 1 106 106 LEU C C 106 178.646 178.646 178.965 -0.319 25443 9658 1 15 . 1 1 106 106 LEU CA C 106 56.699 56.699 57.711 -1.012 25443 9659 1 15 . 1 1 106 106 LEU CB C 106 40.455 40.455 41.645 -1.190 25443 9660 1 15 . 1 1 106 106 LEU H H 106 8.169 8.169 8.143 0.026 25443 9661 1 15 . 1 1 107 107 ASP N N 107 119.073 119.073 119.382 -0.309 25443 9662 1 15 . 1 1 107 107 ASP HA H 107 4.521 4.521 4.369 0.152 25443 9663 1 15 . 1 1 107 107 ASP C C 107 177.069 177.069 178.655 -1.586 25443 9664 1 15 . 1 1 107 107 ASP CA C 107 55.099 55.099 57.389 -2.291 25443 9665 1 15 . 1 1 107 107 ASP CB C 107 40.670 40.670 41.089 -0.419 25443 9666 1 15 . 1 1 107 107 ASP H H 107 8.003 8.003 8.102 -0.099 25443 9667 1 15 . 1 1 108 108 ARG N N 108 120.705 120.705 118.105 2.600 25443 9668 1 15 . 1 1 108 108 ARG HA H 108 4.067 4.067 4.031 0.036 25443 9669 1 15 . 1 1 108 108 ARG C C 108 176.990 176.990 178.669 -1.679 25443 9670 1 15 . 1 1 108 108 ARG CA C 108 57.517 57.517 58.018 -0.501 25443 9671 1 15 . 1 1 108 108 ARG CB C 108 30.407 30.407 29.772 0.635 25443 9672 1 15 . 1 1 108 108 ARG H H 108 7.603 7.603 8.532 -0.929 25443 9673 1 15 . 1 1 109 109 ASP N N 109 120.246 120.246 118.510 1.736 25443 9674 1 15 . 1 1 109 109 ASP HA H 109 4.521 4.521 4.431 0.090 25443 9675 1 15 . 1 1 109 109 ASP C C 109 176.630 176.630 178.271 -1.641 25443 9676 1 15 . 1 1 109 109 ASP CA C 109 55.028 55.028 56.679 -1.651 25443 9677 1 15 . 1 1 109 109 ASP CB C 109 40.936 40.936 40.850 0.086 25443 9678 1 15 . 1 1 109 109 ASP H H 109 8.226 8.226 7.913 0.313 25443 9679 1 15 . 1 1 110 110 ILE N N 110 120.386 120.386 118.484 1.902 25443 9680 1 15 . 1 1 110 110 ILE HA H 110 3.987 3.987 3.880 0.107 25443 9681 1 15 . 1 1 110 110 ILE C C 110 176.996 176.996 177.287 -0.291 25443 9682 1 15 . 1 1 110 110 ILE CA C 110 62.241 62.241 63.679 -1.438 25443 9683 1 15 . 1 1 110 110 ILE CB C 110 38.359 38.359 39.167 -0.808 25443 9684 1 15 . 1 1 110 110 ILE H H 110 7.863 7.863 7.589 0.274 25443 9685 1 15 . 1 1 111 111 VAL N N 111 122.548 122.548 115.492 7.056 25443 9686 1 15 . 1 1 111 111 VAL HA H 111 3.946 3.946 3.987 -0.041 25443 9687 1 15 . 1 1 111 111 VAL C C 111 176.938 176.938 174.597 2.341 25443 9688 1 15 . 1 1 111 111 VAL CA C 111 63.499 63.499 62.944 0.555 25443 9689 1 15 . 1 1 111 111 VAL CB C 111 32.223 32.223 33.685 -1.462 25443 9690 1 15 . 1 1 111 111 VAL H H 111 8.016 8.016 7.683 0.333 25443 9691 1 15 . 1 1 112 112 SER N N 112 117.984 117.984 115.867 2.117 25443 9692 1 15 . 1 1 112 112 SER HA H 112 4.317 4.317 4.495 -0.178 25443 9693 1 15 . 1 1 112 112 SER C C 112 175.154 175.154 173.366 1.788 25443 9694 1 15 . 1 1 112 112 SER CA C 112 59.025 59.025 59.367 -0.342 25443 9695 1 15 . 1 1 112 112 SER CB C 112 63.419 63.419 62.672 0.747 25443 9696 1 15 . 1 1 112 112 SER H H 112 8.187 8.187 8.044 0.143 25443 9697 1 15 . 1 1 113 113 LYS N N 113 122.727 122.727 127.087 -4.360 25443 9698 1 15 . 1 1 113 113 LYS HA H 113 4.209 4.209 4.236 -0.027 25443 9699 1 15 . 1 1 113 113 LYS C C 113 176.713 176.713 176.640 0.073 25443 9700 1 15 . 1 1 113 113 LYS CA C 113 56.844 56.844 56.741 0.103 25443 9701 1 15 . 1 1 113 113 LYS CB C 113 32.794 32.794 31.802 0.992 25443 9702 1 15 . 1 1 113 113 LYS H H 113 8.152 8.152 9.087 -0.935 25443 9703 1 15 . 1 1 114 114 ASN N N 114 118.886 118.886 120.585 -1.699 25443 9704 1 15 . 1 1 114 114 ASN C C 114 175.227 175.227 175.385 -0.158 25443 9705 1 15 . 1 1 114 114 ASN CA C 114 53.549 53.549 53.926 -0.377 25443 9706 1 15 . 1 1 114 114 ASN H H 114 8.261 8.261 8.206 0.055 25443 9707 1 15 . 1 1 115 115 ASN N N 115 119.345 119.345 120.242 -0.897 25443 9708 1 15 . 1 1 115 115 ASN C C 115 174.896 174.896 174.285 0.611 25443 9709 1 15 . 1 1 115 115 ASN CA C 115 53.476 53.476 53.147 0.329 25443 9710 1 15 . 1 1 115 115 ASN H H 115 8.257 8.257 7.952 0.305 25443 9711 1 15 . 1 1 116 116 ALA N N 116 123.669 123.669 128.299 -4.630 25443 9712 1 15 . 1 1 116 116 ALA HA H 116 4.254 4.254 4.341 -0.087 25443 9713 1 15 . 1 1 116 116 ALA C C 116 177.567 177.567 177.184 0.383 25443 9714 1 15 . 1 1 116 116 ALA CA C 116 52.678 52.678 52.360 0.318 25443 9715 1 15 . 1 1 116 116 ALA CB C 116 19.243 19.243 19.675 -0.432 25443 9716 1 15 . 1 1 116 116 ALA H H 116 8.094 8.094 7.814 0.280 25443 9717 1 15 . 1 1 117 117 GLU N N 117 120.083 120.083 123.581 -3.498 25443 9718 1 15 . 1 1 117 117 GLU C C 117 175.564 175.564 176.482 -0.918 25443 9719 1 15 . 1 1 117 117 GLU CA C 117 56.602 56.602 56.281 0.321 25443 9720 1 15 . 1 1 117 117 GLU H H 117 8.221 8.221 8.661 -0.440 25443 9721 1 16 . 1 1 2 2 ALA HA H 2 4.286 4.286 3.835 0.451 25443 9722 1 16 . 1 1 2 2 ALA C C 2 177.853 177.853 178.465 -0.612 25443 9723 1 16 . 1 1 2 2 ALA CA C 2 52.661 52.661 53.981 -1.320 25443 9724 1 16 . 1 1 2 2 ALA CB C 2 19.308 19.308 18.011 1.297 25443 9725 1 16 . 1 1 3 3 MET N N 3 119.404 119.404 120.996 -1.592 25443 9726 1 16 . 1 1 3 3 MET HA H 3 4.435 4.435 4.504 -0.069 25443 9727 1 16 . 1 1 3 3 MET C C 3 176.731 176.731 178.030 -1.299 25443 9728 1 16 . 1 1 3 3 MET CA C 3 55.503 55.503 59.091 -3.588 25443 9729 1 16 . 1 1 3 3 MET CB C 3 32.795 32.795 32.774 0.021 25443 9730 1 16 . 1 1 3 3 MET H H 3 8.530 8.530 8.406 0.124 25443 9731 1 16 . 1 1 4 4 GLY N N 4 109.968 109.968 103.148 6.820 25443 9732 1 16 . 1 1 4 4 GLY C C 4 174.057 174.057 174.247 -0.190 25443 9733 1 16 . 1 1 4 4 GLY CA C 4 45.363 45.363 44.865 0.498 25443 9734 1 16 . 1 1 4 4 GLY H H 4 8.414 8.414 8.532 -0.118 25443 9735 1 16 . 1 1 5 5 ASN N N 5 118.659 118.659 119.018 -0.359 25443 9736 1 16 . 1 1 5 5 ASN HA H 5 4.606 4.606 4.791 -0.185 25443 9737 1 16 . 1 1 5 5 ASN C C 5 175.443 175.443 176.994 -1.551 25443 9738 1 16 . 1 1 5 5 ASN CA C 5 53.530 53.530 54.238 -0.708 25443 9739 1 16 . 1 1 5 5 ASN CB C 5 38.876 38.876 39.816 -0.940 25443 9740 1 16 . 1 1 5 5 ASN H H 5 8.326 8.326 7.582 0.744 25443 9741 1 16 . 1 1 6 6 GLU N N 6 120.909 120.909 121.243 -0.334 25443 9742 1 16 . 1 1 6 6 GLU HA H 6 4.097 4.097 3.957 0.140 25443 9743 1 16 . 1 1 6 6 GLU C C 6 176.261 176.261 177.707 -1.446 25443 9744 1 16 . 1 1 6 6 GLU CA C 6 57.171 57.171 58.741 -1.570 25443 9745 1 16 . 1 1 6 6 GLU CB C 6 29.715 29.715 29.770 -0.055 25443 9746 1 16 . 1 1 6 6 GLU H H 6 8.633 8.633 8.263 0.370 25443 9747 1 16 . 1 1 7 7 TYR N N 7 120.283 120.283 116.284 3.999 25443 9748 1 16 . 1 1 7 7 TYR HA H 7 4.440 4.440 4.994 -0.554 25443 9749 1 16 . 1 1 7 7 TYR C C 7 175.789 175.789 176.349 -0.560 25443 9750 1 16 . 1 1 7 7 TYR CA C 7 58.061 58.061 55.513 2.548 25443 9751 1 16 . 1 1 7 7 TYR CB C 7 38.193 38.193 36.547 1.646 25443 9752 1 16 . 1 1 7 7 TYR H H 7 8.069 8.069 7.125 0.944 25443 9753 1 16 . 1 1 8 8 LYS N N 8 121.780 121.780 120.073 1.707 25443 9754 1 16 . 1 1 8 8 LYS HA H 8 4.107 4.107 4.097 0.010 25443 9755 1 16 . 1 1 8 8 LYS C C 8 175.970 175.970 177.156 -1.186 25443 9756 1 16 . 1 1 8 8 LYS CA C 8 56.550 56.550 58.718 -2.168 25443 9757 1 16 . 1 1 8 8 LYS CB C 8 33.141 33.141 31.792 1.349 25443 9758 1 16 . 1 1 8 8 LYS H H 8 7.868 7.868 7.454 0.414 25443 9759 1 16 . 1 1 9 9 ASP N N 9 119.825 119.825 117.841 1.984 25443 9760 1 16 . 1 1 9 9 ASP HA H 9 4.577 4.577 4.585 -0.008 25443 9761 1 16 . 1 1 9 9 ASP C C 9 175.979 175.979 176.505 -0.526 25443 9762 1 16 . 1 1 9 9 ASP CA C 9 54.608 54.608 55.795 -1.187 25443 9763 1 16 . 1 1 9 9 ASP CB C 9 41.455 41.455 40.210 1.245 25443 9764 1 16 . 1 1 9 9 ASP H H 9 8.164 8.164 8.640 -0.476 25443 9765 1 16 . 1 1 10 10 ASN N N 10 119.410 119.410 117.733 1.677 25443 9766 1 16 . 1 1 10 10 ASN HA H 10 4.935 4.935 4.846 0.088 25443 9767 1 16 . 1 1 10 10 ASN C C 10 174.654 174.654 175.244 -0.590 25443 9768 1 16 . 1 1 10 10 ASN CA C 10 52.792 52.792 54.129 -1.337 25443 9769 1 16 . 1 1 10 10 ASN CB C 10 38.554 38.554 38.837 -0.283 25443 9770 1 16 . 1 1 10 10 ASN H H 10 8.284 8.284 8.152 0.132 25443 9771 1 16 . 1 1 11 11 ALA N N 11 122.716 122.716 124.320 -1.604 25443 9772 1 16 . 1 1 11 11 ALA HA H 11 4.521 4.521 4.409 0.112 25443 9773 1 16 . 1 1 11 11 ALA CA C 11 53.148 53.148 51.855 1.293 25443 9774 1 16 . 1 1 11 11 ALA CB C 11 19.223 19.223 18.220 1.003 25443 9775 1 16 . 1 1 11 11 ALA H H 11 8.260 8.260 7.434 0.826 25443 9776 1 16 . 1 1 12 12 TYR HA H 12 4.943 4.943 4.889 0.054 25443 9777 1 16 . 1 1 12 12 TYR C C 12 177.075 177.075 174.073 3.002 25443 9778 1 16 . 1 1 12 12 TYR CA C 12 57.314 57.314 57.504 -0.190 25443 9779 1 16 . 1 1 12 12 TYR CB C 12 42.614 42.614 42.654 -0.041 25443 9780 1 16 . 1 1 13 13 ILE N N 13 114.211 114.211 119.204 -4.993 25443 9781 1 16 . 1 1 13 13 ILE HA H 13 4.981 4.981 5.126 -0.145 25443 9782 1 16 . 1 1 13 13 ILE C C 13 174.500 174.500 174.088 0.412 25443 9783 1 16 . 1 1 13 13 ILE CA C 13 60.380 60.380 58.981 1.399 25443 9784 1 16 . 1 1 13 13 ILE CB C 13 39.792 39.792 40.721 -0.929 25443 9785 1 16 . 1 1 13 13 ILE H H 13 9.358 9.358 8.698 0.660 25443 9786 1 16 . 1 1 14 14 TYR N N 14 124.891 124.891 128.841 -3.950 25443 9787 1 16 . 1 1 14 14 TYR HA H 14 4.579 4.579 4.696 -0.117 25443 9788 1 16 . 1 1 14 14 TYR C C 14 173.192 173.192 174.469 -1.277 25443 9789 1 16 . 1 1 14 14 TYR CA C 14 56.202 56.202 56.996 -0.794 25443 9790 1 16 . 1 1 14 14 TYR CB C 14 40.163 40.163 39.585 0.578 25443 9791 1 16 . 1 1 14 14 TYR H H 14 9.163 9.163 8.766 0.397 25443 9792 1 16 . 1 1 15 15 ILE N N 15 127.801 127.801 127.638 0.163 25443 9793 1 16 . 1 1 15 15 ILE HA H 15 4.210 4.210 4.323 -0.113 25443 9794 1 16 . 1 1 15 15 ILE C C 15 173.823 173.823 175.936 -2.113 25443 9795 1 16 . 1 1 15 15 ILE CA C 15 59.616 59.616 58.447 1.169 25443 9796 1 16 . 1 1 15 15 ILE CB C 15 39.735 39.735 37.832 1.903 25443 9797 1 16 . 1 1 15 15 ILE H H 15 8.569 8.569 8.336 0.233 25443 9798 1 16 . 1 1 16 16 GLY N N 16 112.441 112.441 113.677 -1.236 25443 9799 1 16 . 1 1 16 16 GLY C C 16 173.159 173.159 173.891 -0.732 25443 9800 1 16 . 1 1 16 16 GLY CA C 16 43.244 43.244 43.761 -0.517 25443 9801 1 16 . 1 1 16 16 GLY H H 16 9.354 9.354 7.919 1.435 25443 9802 1 16 . 1 1 17 17 ASN N N 17 114.797 114.797 118.910 -4.113 25443 9803 1 16 . 1 1 17 17 ASN HA H 17 4.347 4.347 4.621 -0.274 25443 9804 1 16 . 1 1 17 17 ASN C C 17 174.834 174.834 175.014 -0.180 25443 9805 1 16 . 1 1 17 17 ASN CA C 17 53.214 53.214 54.311 -1.097 25443 9806 1 16 . 1 1 17 17 ASN CB C 17 37.826 37.826 37.723 0.103 25443 9807 1 16 . 1 1 17 17 ASN H H 17 8.552 8.552 8.551 0.001 25443 9808 1 16 . 1 1 18 18 LEU N N 18 114.526 114.526 124.829 -10.303 25443 9809 1 16 . 1 1 18 18 LEU HA H 18 3.994 3.994 4.537 -0.543 25443 9810 1 16 . 1 1 18 18 LEU C C 18 177.948 177.948 176.680 1.268 25443 9811 1 16 . 1 1 18 18 LEU CA C 18 53.772 53.772 53.443 0.329 25443 9812 1 16 . 1 1 18 18 LEU CB C 18 42.385 42.385 44.479 -2.094 25443 9813 1 16 . 1 1 18 18 LEU H H 18 7.743 7.743 8.236 -0.493 25443 9814 1 16 . 1 1 19 19 ASN N N 19 122.718 122.718 119.048 3.670 25443 9815 1 16 . 1 1 19 19 ASN HA H 19 4.302 4.302 4.583 -0.281 25443 9816 1 16 . 1 1 19 19 ASN C C 19 178.040 178.040 176.482 1.558 25443 9817 1 16 . 1 1 19 19 ASN CA C 19 54.421 54.421 53.309 1.112 25443 9818 1 16 . 1 1 19 19 ASN CB C 19 38.580 38.580 39.551 -0.971 25443 9819 1 16 . 1 1 19 19 ASN H H 19 8.758 8.758 8.790 -0.032 25443 9820 1 16 . 1 1 20 20 ARG N N 20 128.821 128.821 125.539 3.282 25443 9821 1 16 . 1 1 20 20 ARG HA H 20 3.790 3.790 3.984 -0.194 25443 9822 1 16 . 1 1 20 20 ARG C C 20 175.566 175.566 176.215 -0.649 25443 9823 1 16 . 1 1 20 20 ARG CA C 20 58.775 58.775 58.864 -0.089 25443 9824 1 16 . 1 1 20 20 ARG CB C 20 29.642 29.642 30.315 -0.673 25443 9825 1 16 . 1 1 20 20 ARG H H 20 8.997 8.997 8.702 0.295 25443 9826 1 16 . 1 1 21 21 GLU N N 21 117.438 117.438 115.849 1.589 25443 9827 1 16 . 1 1 21 21 GLU HA H 21 4.214 4.214 4.235 -0.021 25443 9828 1 16 . 1 1 21 21 GLU C C 21 177.076 177.076 176.825 0.251 25443 9829 1 16 . 1 1 21 21 GLU CA C 21 56.677 56.677 56.119 0.558 25443 9830 1 16 . 1 1 21 21 GLU CB C 21 30.451 30.451 28.933 1.518 25443 9831 1 16 . 1 1 21 21 GLU H H 21 9.043 9.043 8.481 0.562 25443 9832 1 16 . 1 1 22 22 LEU N N 22 116.311 116.311 121.442 -5.131 25443 9833 1 16 . 1 1 22 22 LEU HA H 22 4.491 4.491 4.295 0.196 25443 9834 1 16 . 1 1 22 22 LEU C C 22 178.389 178.389 176.585 1.804 25443 9835 1 16 . 1 1 22 22 LEU CA C 22 55.496 55.496 54.935 0.560 25443 9836 1 16 . 1 1 22 22 LEU CB C 22 42.148 42.148 42.869 -0.721 25443 9837 1 16 . 1 1 22 22 LEU H H 22 7.183 7.183 7.722 -0.539 25443 9838 1 16 . 1 1 23 23 THR N N 23 113.850 113.850 112.914 0.936 25443 9839 1 16 . 1 1 23 23 THR HA H 23 4.289 4.289 4.791 -0.502 25443 9840 1 16 . 1 1 23 23 THR C C 23 175.229 175.229 175.773 -0.544 25443 9841 1 16 . 1 1 23 23 THR CA C 23 59.895 59.895 59.416 0.479 25443 9842 1 16 . 1 1 23 23 THR CB C 23 71.989 71.989 71.825 0.164 25443 9843 1 16 . 1 1 23 23 THR H H 23 8.743 8.743 9.060 -0.317 25443 9844 1 16 . 1 1 24 24 GLU N N 24 119.724 119.724 122.072 -2.348 25443 9845 1 16 . 1 1 24 24 GLU HA H 24 3.591 3.591 4.104 -0.513 25443 9846 1 16 . 1 1 24 24 GLU C C 24 178.597 178.597 179.046 -0.449 25443 9847 1 16 . 1 1 24 24 GLU CA C 24 63.490 63.490 60.594 2.896 25443 9848 1 16 . 1 1 24 24 GLU CB C 24 27.433 27.433 29.066 -1.633 25443 9849 1 16 . 1 1 24 24 GLU H H 24 9.641 9.641 8.957 0.684 25443 9850 1 16 . 1 1 25 25 GLY N N 25 104.430 104.430 107.792 -3.362 25443 9851 1 16 . 1 1 25 25 GLY C C 25 175.425 175.425 176.198 -0.773 25443 9852 1 16 . 1 1 25 25 GLY CA C 25 47.334 47.334 46.812 0.522 25443 9853 1 16 . 1 1 25 25 GLY H H 25 8.423 8.423 8.556 -0.133 25443 9854 1 16 . 1 1 26 26 ASP N N 26 123.128 123.128 123.751 -0.623 25443 9855 1 16 . 1 1 26 26 ASP HA H 26 4.530 4.530 4.378 0.152 25443 9856 1 16 . 1 1 26 26 ASP C C 26 177.878 177.878 178.512 -0.634 25443 9857 1 16 . 1 1 26 26 ASP CA C 26 57.429 57.429 57.949 -0.520 25443 9858 1 16 . 1 1 26 26 ASP CB C 26 41.612 41.612 40.741 0.871 25443 9859 1 16 . 1 1 26 26 ASP H H 26 7.859 7.859 7.532 0.327 25443 9860 1 16 . 1 1 27 27 ILE N N 27 118.864 118.864 119.886 -1.022 25443 9861 1 16 . 1 1 27 27 ILE HA H 27 3.534 3.534 3.811 -0.277 25443 9862 1 16 . 1 1 27 27 ILE C C 27 178.225 178.225 178.346 -0.121 25443 9863 1 16 . 1 1 27 27 ILE CA C 27 65.627 65.627 64.963 0.663 25443 9864 1 16 . 1 1 27 27 ILE CB C 27 37.614 37.614 38.029 -0.415 25443 9865 1 16 . 1 1 27 27 ILE H H 27 8.055 8.055 7.423 0.632 25443 9866 1 16 . 1 1 28 28 LEU N N 28 119.416 119.416 121.043 -1.627 25443 9867 1 16 . 1 1 28 28 LEU HA H 28 3.861 3.861 4.206 -0.345 25443 9868 1 16 . 1 1 28 28 LEU C C 28 179.884 179.884 178.884 1.000 25443 9869 1 16 . 1 1 28 28 LEU CA C 28 58.758 58.758 58.277 0.481 25443 9870 1 16 . 1 1 28 28 LEU CB C 28 41.137 41.137 41.544 -0.406 25443 9871 1 16 . 1 1 28 28 LEU H H 28 8.423 8.423 8.109 0.314 25443 9872 1 16 . 1 1 29 29 THR N N 29 119.586 119.586 116.550 3.036 25443 9873 1 16 . 1 1 29 29 THR HA H 29 3.790 3.790 3.911 -0.121 25443 9874 1 16 . 1 1 29 29 THR C C 29 176.530 176.530 176.593 -0.063 25443 9875 1 16 . 1 1 29 29 THR CA C 29 67.322 67.322 67.770 -0.448 25443 9876 1 16 . 1 1 29 29 THR CB C 29 68.372 68.372 68.492 -0.120 25443 9877 1 16 . 1 1 29 29 THR H H 29 8.552 8.552 8.135 0.417 25443 9878 1 16 . 1 1 30 30 VAL N N 30 119.948 119.948 120.670 -0.722 25443 9879 1 16 . 1 1 30 30 VAL HA H 30 3.601 3.601 3.430 0.171 25443 9880 1 16 . 1 1 30 30 VAL C C 30 178.670 178.670 178.051 0.619 25443 9881 1 16 . 1 1 30 30 VAL CA C 30 66.081 66.081 65.953 0.128 25443 9882 1 16 . 1 1 30 30 VAL CB C 30 32.993 32.993 31.463 1.530 25443 9883 1 16 . 1 1 30 30 VAL H H 30 7.959 7.959 7.638 0.321 25443 9884 1 16 . 1 1 31 31 PHE N N 31 113.636 113.636 119.039 -5.403 25443 9885 1 16 . 1 1 31 31 PHE HA H 31 4.006 4.006 4.390 -0.384 25443 9886 1 16 . 1 1 31 31 PHE C C 31 180.133 180.133 177.917 2.216 25443 9887 1 16 . 1 1 31 31 PHE CA C 31 62.266 62.266 61.164 1.102 25443 9888 1 16 . 1 1 31 31 PHE CB C 31 37.711 37.711 38.502 -0.791 25443 9889 1 16 . 1 1 31 31 PHE H H 31 8.726 8.726 8.048 0.678 25443 9890 1 16 . 1 1 32 32 SER N N 32 119.746 119.746 115.664 4.082 25443 9891 1 16 . 1 1 32 32 SER HA H 32 5.107 5.107 4.252 0.855 25443 9892 1 16 . 1 1 32 32 SER C C 32 173.450 173.450 176.406 -2.956 25443 9893 1 16 . 1 1 32 32 SER CA C 32 61.440 61.440 61.968 -0.528 25443 9894 1 16 . 1 1 32 32 SER CB C 32 62.690 62.690 62.652 0.038 25443 9895 1 16 . 1 1 32 32 SER H H 32 8.564 8.564 8.639 -0.075 25443 9896 1 16 . 1 1 33 33 GLU N N 33 118.689 118.689 120.626 -1.937 25443 9897 1 16 . 1 1 33 33 GLU HA H 33 3.854 3.854 4.016 -0.162 25443 9898 1 16 . 1 1 33 33 GLU C C 33 176.471 176.471 177.405 -0.934 25443 9899 1 16 . 1 1 33 33 GLU CA C 33 57.997 57.997 58.286 -0.289 25443 9900 1 16 . 1 1 33 33 GLU CB C 33 29.503 29.503 28.865 0.638 25443 9901 1 16 . 1 1 33 33 GLU H H 33 6.733 6.733 7.595 -0.862 25443 9902 1 16 . 1 1 34 34 TYR N N 34 111.313 111.313 117.429 -6.116 25443 9903 1 16 . 1 1 34 34 TYR HA H 34 4.469 4.469 4.518 -0.049 25443 9904 1 16 . 1 1 34 34 TYR C C 34 174.351 174.351 176.451 -2.100 25443 9905 1 16 . 1 1 34 34 TYR CA C 34 57.940 57.940 57.441 0.499 25443 9906 1 16 . 1 1 34 34 TYR CB C 34 39.557 39.557 38.068 1.489 25443 9907 1 16 . 1 1 34 34 TYR H H 34 6.662 6.662 7.428 -0.766 25443 9908 1 16 . 1 1 35 35 GLY N N 35 106.055 106.055 108.732 -2.677 25443 9909 1 16 . 1 1 35 35 GLY C C 35 170.709 170.709 174.101 -3.392 25443 9910 1 16 . 1 1 35 35 GLY CA C 35 45.230 45.230 45.507 -0.277 25443 9911 1 16 . 1 1 35 35 GLY H H 35 7.302 7.302 7.842 -0.540 25443 9912 1 16 . 1 1 36 36 VAL N N 36 121.596 121.596 115.847 5.749 25443 9913 1 16 . 1 1 36 36 VAL HA H 36 4.492 4.492 4.553 -0.061 25443 9914 1 16 . 1 1 36 36 VAL CA C 36 59.912 59.912 58.575 1.337 25443 9915 1 16 . 1 1 36 36 VAL CB C 36 33.632 33.632 32.880 0.752 25443 9916 1 16 . 1 1 36 36 VAL H H 36 8.595 8.595 7.614 0.981 25443 9917 1 16 . 1 1 37 37 PRO HA H 37 4.499 4.499 4.677 -0.178 25443 9918 1 16 . 1 1 37 37 PRO C C 37 176.150 176.150 176.235 -0.085 25443 9919 1 16 . 1 1 37 37 PRO CA C 37 62.320 62.320 62.246 0.074 25443 9920 1 16 . 1 1 37 37 PRO CB C 37 31.945 31.945 30.292 1.653 25443 9921 1 16 . 1 1 38 38 VAL N N 38 114.135 114.135 119.801 -5.666 25443 9922 1 16 . 1 1 38 38 VAL HA H 38 4.436 4.436 4.641 -0.205 25443 9923 1 16 . 1 1 38 38 VAL C C 38 175.124 175.124 175.182 -0.058 25443 9924 1 16 . 1 1 38 38 VAL CA C 38 60.488 60.488 59.367 1.121 25443 9925 1 16 . 1 1 38 38 VAL CB C 38 32.560 32.560 34.083 -1.523 25443 9926 1 16 . 1 1 38 38 VAL H H 38 9.006 9.006 7.640 1.366 25443 9927 1 16 . 1 1 39 39 ASP N N 39 118.095 118.095 120.530 -2.435 25443 9928 1 16 . 1 1 39 39 ASP HA H 39 4.626 4.626 4.686 -0.060 25443 9929 1 16 . 1 1 39 39 ASP C C 39 174.577 174.577 174.533 0.044 25443 9930 1 16 . 1 1 39 39 ASP CA C 39 54.706 54.706 53.509 1.197 25443 9931 1 16 . 1 1 39 39 ASP CB C 39 43.495 43.495 42.296 1.199 25443 9932 1 16 . 1 1 39 39 ASP H H 39 7.454 7.454 8.202 -0.748 25443 9933 1 16 . 1 1 40 40 VAL N N 40 121.566 121.566 120.436 1.130 25443 9934 1 16 . 1 1 40 40 VAL HA H 40 4.897 4.897 4.649 0.248 25443 9935 1 16 . 1 1 40 40 VAL C C 40 170.928 170.928 174.485 -3.557 25443 9936 1 16 . 1 1 40 40 VAL CA C 40 60.729 60.729 60.871 -0.142 25443 9937 1 16 . 1 1 40 40 VAL CB C 40 34.373 34.373 34.889 -0.516 25443 9938 1 16 . 1 1 40 40 VAL H H 40 7.576 7.576 8.308 -0.732 25443 9939 1 16 . 1 1 41 41 ILE N N 41 125.247 125.247 129.967 -4.720 25443 9940 1 16 . 1 1 41 41 ILE HA H 41 4.752 4.752 4.133 0.619 25443 9941 1 16 . 1 1 41 41 ILE C C 41 175.440 175.440 174.079 1.361 25443 9942 1 16 . 1 1 41 41 ILE CA C 41 61.609 61.609 59.733 1.876 25443 9943 1 16 . 1 1 41 41 ILE H H 41 8.929 8.929 9.063 -0.134 25443 9944 1 16 . 1 1 42 42 LEU N N 42 128.791 128.791 128.589 0.202 25443 9945 1 16 . 1 1 42 42 LEU HA H 42 4.387 4.387 4.680 -0.293 25443 9946 1 16 . 1 1 42 42 LEU C C 42 174.979 174.979 176.346 -1.367 25443 9947 1 16 . 1 1 42 42 LEU CA C 42 53.345 53.345 53.762 -0.417 25443 9948 1 16 . 1 1 42 42 LEU CB C 42 43.298 43.298 44.459 -1.161 25443 9949 1 16 . 1 1 42 42 LEU H H 42 8.309 8.309 8.294 0.015 25443 9950 1 16 . 1 1 43 43 SER N N 43 122.753 122.753 122.760 -0.007 25443 9951 1 16 . 1 1 43 43 SER HA H 43 3.821 3.821 4.479 -0.658 25443 9952 1 16 . 1 1 43 43 SER C C 43 173.870 173.870 173.702 0.168 25443 9953 1 16 . 1 1 43 43 SER CA C 43 59.707 59.707 59.623 0.084 25443 9954 1 16 . 1 1 43 43 SER CB C 43 62.714 62.714 62.842 -0.128 25443 9955 1 16 . 1 1 43 43 SER H H 43 8.317 8.317 8.808 -0.491 25443 9956 1 16 . 1 1 44 44 ARG N N 44 128.068 128.068 125.342 2.726 25443 9957 1 16 . 1 1 44 44 ARG HA H 44 4.763 4.763 5.174 -0.411 25443 9958 1 16 . 1 1 44 44 ARG C C 44 175.094 175.094 176.010 -0.916 25443 9959 1 16 . 1 1 44 44 ARG CA C 44 54.100 54.100 54.831 -0.731 25443 9960 1 16 . 1 1 44 44 ARG CB C 44 34.218 34.218 33.447 0.770 25443 9961 1 16 . 1 1 44 44 ARG H H 44 8.152 8.152 7.943 0.209 25443 9962 1 16 . 1 1 45 45 ASP N N 45 123.595 123.595 123.104 0.491 25443 9963 1 16 . 1 1 45 45 ASP HA H 45 4.172 4.172 4.587 -0.415 25443 9964 1 16 . 1 1 45 45 ASP C C 45 177.467 177.467 177.308 0.159 25443 9965 1 16 . 1 1 45 45 ASP CA C 45 54.898 54.898 55.346 -0.448 25443 9966 1 16 . 1 1 45 45 ASP CB C 45 43.568 43.568 41.948 1.620 25443 9967 1 16 . 1 1 45 45 ASP H H 45 8.628 8.628 8.730 -0.102 25443 9968 1 16 . 1 1 46 46 GLU N N 46 125.161 125.161 122.894 2.267 25443 9969 1 16 . 1 1 46 46 GLU HA H 46 3.843 3.843 4.205 -0.362 25443 9970 1 16 . 1 1 46 46 GLU C C 46 175.690 175.690 177.294 -1.604 25443 9971 1 16 . 1 1 46 46 GLU CA C 46 58.861 58.861 58.818 0.043 25443 9972 1 16 . 1 1 46 46 GLU CB C 46 29.636 29.636 29.720 -0.084 25443 9973 1 16 . 1 1 46 46 GLU H H 46 9.013 9.013 8.787 0.226 25443 9974 1 16 . 1 1 47 47 ASN N N 47 115.135 115.135 117.520 -2.385 25443 9975 1 16 . 1 1 47 47 ASN HA H 47 4.842 4.842 4.629 0.213 25443 9976 1 16 . 1 1 47 47 ASN C C 47 176.655 176.655 176.584 0.071 25443 9977 1 16 . 1 1 47 47 ASN CA C 47 54.897 54.897 54.931 -0.034 25443 9978 1 16 . 1 1 47 47 ASN CB C 47 40.141 40.141 38.129 2.012 25443 9979 1 16 . 1 1 47 47 ASN H H 47 8.926 8.926 8.573 0.353 25443 9980 1 16 . 1 1 48 48 THR N N 48 107.544 107.544 112.992 -5.448 25443 9981 1 16 . 1 1 48 48 THR HA H 48 4.400 4.400 4.406 -0.006 25443 9982 1 16 . 1 1 48 48 THR C C 48 176.484 176.484 174.878 1.606 25443 9983 1 16 . 1 1 48 48 THR CA C 48 61.513 61.513 62.048 -0.535 25443 9984 1 16 . 1 1 48 48 THR CB C 48 71.189 71.189 69.431 1.758 25443 9985 1 16 . 1 1 48 48 THR H H 48 8.455 8.455 8.029 0.426 25443 9986 1 16 . 1 1 49 49 GLY N N 49 111.753 111.753 109.790 1.963 25443 9987 1 16 . 1 1 49 49 GLY C C 49 173.167 173.167 173.598 -0.431 25443 9988 1 16 . 1 1 49 49 GLY CA C 49 45.628 45.628 45.419 0.209 25443 9989 1 16 . 1 1 49 49 GLY H H 49 8.607 8.607 7.978 0.629 25443 9990 1 16 . 1 1 50 50 GLU N N 50 119.978 119.978 119.057 0.921 25443 9991 1 16 . 1 1 50 50 GLU HA H 50 4.071 4.071 4.437 -0.366 25443 9992 1 16 . 1 1 50 50 GLU C C 50 176.629 176.629 176.226 0.403 25443 9993 1 16 . 1 1 50 50 GLU CA C 50 56.500 56.500 55.107 1.393 25443 9994 1 16 . 1 1 50 50 GLU CB C 50 30.927 30.927 31.154 -0.227 25443 9995 1 16 . 1 1 50 50 GLU H H 50 7.796 7.796 8.094 -0.298 25443 9996 1 16 . 1 1 51 51 SER N N 51 115.672 115.672 118.654 -2.982 25443 9997 1 16 . 1 1 51 51 SER HA H 51 4.205 4.205 4.261 -0.056 25443 9998 1 16 . 1 1 51 51 SER C C 51 176.532 176.532 173.850 2.682 25443 9999 1 16 . 1 1 51 51 SER CA C 51 58.320 58.320 59.379 -1.059 25443 10000 1 16 . 1 1 51 51 SER CB C 51 64.596 64.596 62.822 1.774 25443 10001 1 16 . 1 1 51 51 SER H H 51 8.889 8.889 8.972 -0.083 25443 10002 1 16 . 1 1 52 52 GLN N N 52 123.139 123.139 124.810 -1.671 25443 10003 1 16 . 1 1 52 52 GLN HA H 52 4.421 4.421 4.014 0.407 25443 10004 1 16 . 1 1 52 52 GLN C C 52 177.396 177.396 176.575 0.821 25443 10005 1 16 . 1 1 52 52 GLN CA C 52 55.051 55.051 57.386 -2.335 25443 10006 1 16 . 1 1 52 52 GLN CB C 52 29.874 29.874 29.533 0.341 25443 10007 1 16 . 1 1 52 52 GLN H H 52 9.078 9.078 8.607 0.471 25443 10008 1 16 . 1 1 53 53 GLY N N 53 105.904 105.904 105.978 -0.074 25443 10009 1 16 . 1 1 53 53 GLY C C 53 172.046 172.046 173.158 -1.112 25443 10010 1 16 . 1 1 53 53 GLY CA C 53 46.550 46.550 44.313 2.237 25443 10011 1 16 . 1 1 53 53 GLY H H 53 8.851 8.851 7.622 1.229 25443 10012 1 16 . 1 1 54 54 PHE N N 54 111.888 111.888 118.410 -6.522 25443 10013 1 16 . 1 1 54 54 PHE HA H 54 5.253 5.253 4.906 0.347 25443 10014 1 16 . 1 1 54 54 PHE C C 54 171.570 171.570 173.387 -1.817 25443 10015 1 16 . 1 1 54 54 PHE CA C 54 55.592 55.592 55.221 0.371 25443 10016 1 16 . 1 1 54 54 PHE CB C 54 40.806 40.806 42.380 -1.574 25443 10017 1 16 . 1 1 54 54 PHE H H 54 6.827 6.827 6.959 -0.132 25443 10018 1 16 . 1 1 55 55 ALA N N 55 121.888 121.888 119.757 2.131 25443 10019 1 16 . 1 1 55 55 ALA HA H 55 5.032 5.032 4.896 0.136 25443 10020 1 16 . 1 1 55 55 ALA C C 55 172.957 172.957 174.552 -1.595 25443 10021 1 16 . 1 1 55 55 ALA CA C 55 49.477 49.477 51.498 -2.021 25443 10022 1 16 . 1 1 55 55 ALA H H 55 8.927 8.927 8.057 0.870 25443 10023 1 16 . 1 1 56 56 TYR N N 56 115.049 115.049 118.798 -3.749 25443 10024 1 16 . 1 1 56 56 TYR HA H 56 5.602 5.602 5.387 0.215 25443 10025 1 16 . 1 1 56 56 TYR C C 56 175.162 175.162 174.138 1.024 25443 10026 1 16 . 1 1 56 56 TYR CA C 56 55.444 55.444 56.838 -1.394 25443 10027 1 16 . 1 1 56 56 TYR CB C 56 42.189 42.189 41.619 0.570 25443 10028 1 16 . 1 1 56 56 TYR H H 56 9.020 9.020 9.181 -0.161 25443 10029 1 16 . 1 1 57 57 LEU N N 57 122.745 122.745 124.299 -1.554 25443 10030 1 16 . 1 1 57 57 LEU HA H 57 4.713 4.713 4.869 -0.156 25443 10031 1 16 . 1 1 57 57 LEU C C 57 172.371 172.371 174.490 -2.119 25443 10032 1 16 . 1 1 57 57 LEU CA C 57 54.712 54.712 53.754 0.958 25443 10033 1 16 . 1 1 57 57 LEU CB C 57 46.754 46.754 45.916 0.838 25443 10034 1 16 . 1 1 57 57 LEU H H 57 8.706 8.706 8.614 0.092 25443 10035 1 16 . 1 1 58 58 LYS N N 58 125.469 125.469 125.345 0.124 25443 10036 1 16 . 1 1 58 58 LYS HA H 58 4.467 4.467 4.195 0.272 25443 10037 1 16 . 1 1 58 58 LYS C C 58 175.152 175.152 173.761 1.391 25443 10038 1 16 . 1 1 58 58 LYS CA C 58 54.494 54.494 54.380 0.114 25443 10039 1 16 . 1 1 58 58 LYS CB C 58 36.479 36.479 34.767 1.712 25443 10040 1 16 . 1 1 58 58 LYS H H 58 7.948 7.948 8.624 -0.676 25443 10041 1 16 . 1 1 59 59 TYR N N 59 126.261 126.261 122.786 3.475 25443 10042 1 16 . 1 1 59 59 TYR HA H 59 5.003 5.003 4.760 0.243 25443 10043 1 16 . 1 1 59 59 TYR C C 59 176.020 176.020 174.175 1.845 25443 10044 1 16 . 1 1 59 59 TYR CA C 59 57.992 57.992 55.341 2.651 25443 10045 1 16 . 1 1 59 59 TYR CB C 59 41.715 41.715 40.223 1.492 25443 10046 1 16 . 1 1 59 59 TYR H H 59 8.957 8.957 7.764 1.193 25443 10047 1 16 . 1 1 60 60 GLU N N 60 120.342 120.342 122.182 -1.840 25443 10048 1 16 . 1 1 60 60 GLU HA H 60 3.839 3.839 4.508 -0.669 25443 10049 1 16 . 1 1 60 60 GLU C C 60 175.346 175.346 175.355 -0.009 25443 10050 1 16 . 1 1 60 60 GLU CA C 60 59.057 59.057 56.263 2.794 25443 10051 1 16 . 1 1 60 60 GLU CB C 60 30.653 30.653 30.078 0.574 25443 10052 1 16 . 1 1 60 60 GLU H H 60 8.845 8.845 8.711 0.134 25443 10053 1 16 . 1 1 61 61 ASP N N 61 116.193 116.193 125.314 -9.121 25443 10054 1 16 . 1 1 61 61 ASP HA H 61 4.915 4.915 4.648 0.267 25443 10055 1 16 . 1 1 61 61 ASP C C 61 176.659 176.659 175.182 1.477 25443 10056 1 16 . 1 1 61 61 ASP CA C 61 51.856 51.856 54.524 -2.668 25443 10057 1 16 . 1 1 61 61 ASP CB C 61 43.726 43.726 42.508 1.218 25443 10058 1 16 . 1 1 61 61 ASP H H 61 7.922 7.922 8.521 -0.599 25443 10059 1 16 . 1 1 62 62 GLN N N 62 125.812 125.812 123.671 2.141 25443 10060 1 16 . 1 1 62 62 GLN HA H 62 4.221 4.221 4.235 -0.014 25443 10061 1 16 . 1 1 62 62 GLN C C 62 178.430 178.430 177.511 0.919 25443 10062 1 16 . 1 1 62 62 GLN CA C 62 58.449 58.449 58.557 -0.108 25443 10063 1 16 . 1 1 62 62 GLN CB C 62 28.076 28.076 29.279 -1.202 25443 10064 1 16 . 1 1 62 62 GLN H H 62 8.964 8.964 8.750 0.214 25443 10065 1 16 . 1 1 63 63 ARG N N 63 120.943 120.943 119.391 1.552 25443 10066 1 16 . 1 1 63 63 ARG HA H 63 3.979 3.979 4.221 -0.242 25443 10067 1 16 . 1 1 63 63 ARG C C 63 179.350 179.350 178.719 0.631 25443 10068 1 16 . 1 1 63 63 ARG CA C 63 59.398 59.398 58.824 0.574 25443 10069 1 16 . 1 1 63 63 ARG CB C 63 29.466 29.466 29.703 -0.237 25443 10070 1 16 . 1 1 63 63 ARG H H 63 8.965 8.965 7.997 0.968 25443 10071 1 16 . 1 1 64 64 SER N N 64 115.358 115.358 115.646 -0.288 25443 10072 1 16 . 1 1 64 64 SER HA H 64 3.898 3.898 4.232 -0.334 25443 10073 1 16 . 1 1 64 64 SER C C 64 174.444 174.444 175.958 -1.514 25443 10074 1 16 . 1 1 64 64 SER CA C 64 62.459 62.459 62.128 0.331 25443 10075 1 16 . 1 1 64 64 SER CB C 64 62.040 62.040 62.448 -0.408 25443 10076 1 16 . 1 1 64 64 SER H H 64 8.065 8.065 9.514 -1.449 25443 10077 1 16 . 1 1 65 65 THR N N 65 113.614 113.614 116.793 -3.179 25443 10078 1 16 . 1 1 65 65 THR HA H 65 3.751 3.751 4.396 -0.645 25443 10079 1 16 . 1 1 65 65 THR C C 65 175.357 175.357 176.519 -1.162 25443 10080 1 16 . 1 1 65 65 THR CA C 65 66.292 66.292 65.751 0.541 25443 10081 1 16 . 1 1 65 65 THR CB C 65 68.457 68.457 68.777 -0.320 25443 10082 1 16 . 1 1 65 65 THR H H 65 7.484 7.484 7.777 -0.293 25443 10083 1 16 . 1 1 66 66 ILE N N 66 120.736 120.736 122.759 -2.023 25443 10084 1 16 . 1 1 66 66 ILE HA H 66 3.653 3.653 4.109 -0.456 25443 10085 1 16 . 1 1 66 66 ILE C C 66 177.518 177.518 178.211 -0.693 25443 10086 1 16 . 1 1 66 66 ILE CA C 66 64.014 64.014 64.412 -0.398 25443 10087 1 16 . 1 1 66 66 ILE CB C 66 42.194 42.194 37.562 4.632 25443 10088 1 16 . 1 1 66 66 ILE H H 66 6.976 6.976 7.481 -0.505 25443 10089 1 16 . 1 1 67 67 LEU N N 67 117.584 117.584 121.712 -4.128 25443 10090 1 16 . 1 1 67 67 LEU HA H 67 3.921 3.921 3.842 0.079 25443 10091 1 16 . 1 1 67 67 LEU C C 67 179.650 179.650 178.188 1.462 25443 10092 1 16 . 1 1 67 67 LEU CA C 67 57.452 57.452 58.366 -0.914 25443 10093 1 16 . 1 1 67 67 LEU CB C 67 42.172 42.172 41.685 0.487 25443 10094 1 16 . 1 1 67 67 LEU H H 67 7.006 7.006 7.777 -0.771 25443 10095 1 16 . 1 1 68 68 ALA N N 68 121.025 121.025 121.186 -0.161 25443 10096 1 16 . 1 1 68 68 ALA HA H 68 3.285 3.285 3.766 -0.481 25443 10097 1 16 . 1 1 68 68 ALA C C 68 179.216 179.216 179.713 -0.497 25443 10098 1 16 . 1 1 68 68 ALA CA C 68 55.564 55.564 55.247 0.317 25443 10099 1 16 . 1 1 68 68 ALA CB C 68 18.852 18.852 18.206 0.646 25443 10100 1 16 . 1 1 68 68 ALA H H 68 8.121 8.121 8.307 -0.186 25443 10101 1 16 . 1 1 69 69 VAL N N 69 117.799 117.799 117.623 0.176 25443 10102 1 16 . 1 1 69 69 VAL HA H 69 3.243 3.243 3.584 -0.341 25443 10103 1 16 . 1 1 69 69 VAL C C 69 178.541 178.541 177.956 0.585 25443 10104 1 16 . 1 1 69 69 VAL CA C 69 67.237 67.237 66.629 0.608 25443 10105 1 16 . 1 1 69 69 VAL CB C 69 31.679 31.679 31.840 -0.161 25443 10106 1 16 . 1 1 69 69 VAL H H 69 8.012 8.012 7.746 0.266 25443 10107 1 16 . 1 1 70 70 ASP N N 70 117.013 117.013 118.810 -1.797 25443 10108 1 16 . 1 1 70 70 ASP HA H 70 4.339 4.339 4.445 -0.106 25443 10109 1 16 . 1 1 70 70 ASP C C 70 178.330 178.330 178.663 -0.333 25443 10110 1 16 . 1 1 70 70 ASP CA C 70 57.131 57.131 57.148 -0.016 25443 10111 1 16 . 1 1 70 70 ASP CB C 70 40.465 40.465 41.102 -0.637 25443 10112 1 16 . 1 1 70 70 ASP H H 70 8.216 8.216 8.199 0.017 25443 10113 1 16 . 1 1 71 71 ASN N N 71 112.777 112.777 117.338 -4.561 25443 10114 1 16 . 1 1 71 71 ASN HA H 71 4.587 4.587 4.607 -0.020 25443 10115 1 16 . 1 1 71 71 ASN C C 71 176.314 176.314 176.888 -0.574 25443 10116 1 16 . 1 1 71 71 ASN CA C 71 55.474 55.474 55.454 0.020 25443 10117 1 16 . 1 1 71 71 ASN CB C 71 40.592 40.592 39.082 1.510 25443 10118 1 16 . 1 1 71 71 ASN H H 71 7.582 7.582 8.364 -0.782 25443 10119 1 16 . 1 1 72 72 LEU N N 72 116.551 116.551 115.973 0.578 25443 10120 1 16 . 1 1 72 72 LEU HA H 72 4.494 4.494 4.332 0.162 25443 10121 1 16 . 1 1 72 72 LEU C C 72 177.500 177.500 176.964 0.536 25443 10122 1 16 . 1 1 72 72 LEU CA C 72 54.590 54.590 54.836 -0.246 25443 10123 1 16 . 1 1 72 72 LEU CB C 72 42.862 42.862 41.716 1.146 25443 10124 1 16 . 1 1 72 72 LEU H H 72 8.201 8.201 7.887 0.314 25443 10125 1 16 . 1 1 73 73 ASN N N 73 118.974 118.974 118.652 0.322 25443 10126 1 16 . 1 1 73 73 ASN HA H 73 4.392 4.392 4.739 -0.347 25443 10127 1 16 . 1 1 73 73 ASN C C 73 177.151 177.151 176.669 0.482 25443 10128 1 16 . 1 1 73 73 ASN CA C 73 56.276 56.276 54.707 1.569 25443 10129 1 16 . 1 1 73 73 ASN CB C 73 38.853 38.853 37.708 1.145 25443 10130 1 16 . 1 1 73 73 ASN H H 73 7.406 7.406 7.615 -0.209 25443 10131 1 16 . 1 1 74 74 GLY N N 74 116.478 116.478 114.179 2.299 25443 10132 1 16 . 1 1 74 74 GLY C C 74 172.756 172.756 173.821 -1.065 25443 10133 1 16 . 1 1 74 74 GLY CA C 74 45.662 45.662 45.130 0.532 25443 10134 1 16 . 1 1 74 74 GLY H H 74 9.106 9.106 8.939 0.167 25443 10135 1 16 . 1 1 75 75 PHE N N 75 123.853 123.853 123.131 0.722 25443 10136 1 16 . 1 1 75 75 PHE HA H 75 4.328 4.328 4.431 -0.103 25443 10137 1 16 . 1 1 75 75 PHE C C 75 175.065 175.065 175.038 0.027 25443 10138 1 16 . 1 1 75 75 PHE CA C 75 58.371 58.371 58.353 0.018 25443 10139 1 16 . 1 1 75 75 PHE CB C 75 40.947 40.947 39.887 1.060 25443 10140 1 16 . 1 1 75 75 PHE H H 75 8.074 8.074 7.977 0.097 25443 10141 1 16 . 1 1 76 76 LYS N N 76 126.700 126.700 128.497 -1.797 25443 10142 1 16 . 1 1 76 76 LYS HA H 76 4.536 4.536 4.813 -0.277 25443 10143 1 16 . 1 1 76 76 LYS C C 76 175.395 175.395 176.009 -0.614 25443 10144 1 16 . 1 1 76 76 LYS CA C 76 56.227 56.227 55.190 1.037 25443 10145 1 16 . 1 1 76 76 LYS CB C 76 32.969 32.969 31.727 1.242 25443 10146 1 16 . 1 1 76 76 LYS H H 76 7.766 7.766 8.183 -0.417 25443 10147 1 16 . 1 1 77 77 ILE N N 77 120.686 120.686 124.837 -4.151 25443 10148 1 16 . 1 1 77 77 ILE HA H 77 4.231 4.231 4.254 -0.023 25443 10149 1 16 . 1 1 77 77 ILE C C 77 177.605 177.605 176.436 1.169 25443 10150 1 16 . 1 1 77 77 ILE CA C 77 59.981 59.981 60.948 -0.967 25443 10151 1 16 . 1 1 77 77 ILE CB C 77 40.409 40.409 39.473 0.936 25443 10152 1 16 . 1 1 77 77 ILE H H 77 8.005 8.005 9.033 -1.028 25443 10153 1 16 . 1 1 78 78 GLY N N 78 118.352 118.352 115.730 2.622 25443 10154 1 16 . 1 1 78 78 GLY C C 78 175.639 175.639 175.346 0.293 25443 10155 1 16 . 1 1 78 78 GLY CA C 78 47.227 47.227 45.115 2.112 25443 10156 1 16 . 1 1 78 78 GLY H H 78 9.800 9.800 9.118 0.682 25443 10157 1 16 . 1 1 79 79 GLY N N 79 104.167 104.167 103.921 0.246 25443 10158 1 16 . 1 1 79 79 GLY C C 79 173.371 173.371 173.998 -0.627 25443 10159 1 16 . 1 1 79 79 GLY CA C 79 45.037 45.037 45.082 -0.045 25443 10160 1 16 . 1 1 79 79 GLY H H 79 8.795 8.795 8.445 0.350 25443 10161 1 16 . 1 1 80 80 ARG N N 80 119.090 119.090 121.229 -2.139 25443 10162 1 16 . 1 1 80 80 ARG HA H 80 4.590 4.590 4.651 -0.061 25443 10163 1 16 . 1 1 80 80 ARG C C 80 174.563 174.563 174.505 0.058 25443 10164 1 16 . 1 1 80 80 ARG CA C 80 54.615 54.615 54.352 0.263 25443 10165 1 16 . 1 1 80 80 ARG CB C 80 33.487 33.487 32.463 1.024 25443 10166 1 16 . 1 1 80 80 ARG H H 80 7.281 7.281 7.477 -0.196 25443 10167 1 16 . 1 1 81 81 ALA N N 81 126.039 126.039 125.576 0.463 25443 10168 1 16 . 1 1 81 81 ALA HA H 81 4.216 4.216 4.916 -0.700 25443 10169 1 16 . 1 1 81 81 ALA C C 81 177.149 177.149 177.021 0.128 25443 10170 1 16 . 1 1 81 81 ALA CA C 81 51.081 51.081 50.863 0.218 25443 10171 1 16 . 1 1 81 81 ALA CB C 81 19.226 19.226 19.963 -0.737 25443 10172 1 16 . 1 1 81 81 ALA H H 81 8.651 8.651 8.468 0.183 25443 10173 1 16 . 1 1 82 82 LEU N N 82 125.451 125.451 124.450 1.001 25443 10174 1 16 . 1 1 82 82 LEU HA H 82 4.390 4.390 4.438 -0.048 25443 10175 1 16 . 1 1 82 82 LEU C C 82 177.498 177.498 176.640 0.858 25443 10176 1 16 . 1 1 82 82 LEU CA C 82 56.065 56.065 54.950 1.115 25443 10177 1 16 . 1 1 82 82 LEU CB C 82 43.267 43.267 42.710 0.557 25443 10178 1 16 . 1 1 82 82 LEU H H 82 8.805 8.805 8.559 0.246 25443 10179 1 16 . 1 1 83 83 LYS N N 83 123.253 123.253 123.781 -0.528 25443 10180 1 16 . 1 1 83 83 LYS C C 83 174.892 174.892 174.757 0.135 25443 10181 1 16 . 1 1 83 83 LYS CA C 83 54.892 54.892 54.257 0.635 25443 10182 1 16 . 1 1 83 83 LYS H H 83 7.768 7.768 8.639 -0.871 25443 10183 1 16 . 1 1 84 84 ILE N N 84 125.577 125.577 123.794 1.783 25443 10184 1 16 . 1 1 84 84 ILE HA H 84 5.581 5.581 5.073 0.508 25443 10185 1 16 . 1 1 84 84 ILE C C 84 174.901 174.901 176.098 -1.197 25443 10186 1 16 . 1 1 84 84 ILE CA C 84 58.803 58.803 58.424 0.379 25443 10187 1 16 . 1 1 84 84 ILE CB C 84 40.306 40.306 38.815 1.492 25443 10188 1 16 . 1 1 84 84 ILE H H 84 8.616 8.616 8.560 0.056 25443 10189 1 16 . 1 1 85 85 ASP N N 85 125.373 125.373 126.657 -1.284 25443 10190 1 16 . 1 1 85 85 ASP HA H 85 4.909 4.909 5.059 -0.150 25443 10191 1 16 . 1 1 85 85 ASP C C 85 174.826 174.826 174.691 0.135 25443 10192 1 16 . 1 1 85 85 ASP CA C 85 52.372 52.372 53.069 -0.697 25443 10193 1 16 . 1 1 85 85 ASP CB C 85 45.290 45.290 45.205 0.086 25443 10194 1 16 . 1 1 85 85 ASP H H 85 8.907 8.907 8.746 0.161 25443 10195 1 16 . 1 1 86 86 HIS N N 86 121.396 121.396 120.128 1.268 25443 10196 1 16 . 1 1 86 86 HIS CA C 86 57.540 57.540 56.734 0.806 25443 10197 1 16 . 1 1 86 86 HIS CB C 86 30.985 30.985 31.451 -0.466 25443 10198 1 16 . 1 1 86 86 HIS H H 86 8.970 8.970 8.872 0.098 25443 10199 1 16 . 1 1 87 87 THR N N 87 116.761 116.761 118.648 -1.887 25443 10200 1 16 . 1 1 87 87 THR HA H 87 4.652 4.652 4.571 0.081 25443 10201 1 16 . 1 1 87 87 THR C C 87 171.272 171.272 172.423 -1.151 25443 10202 1 16 . 1 1 87 87 THR CA C 87 60.710 60.710 61.193 -0.483 25443 10203 1 16 . 1 1 87 87 THR CB C 87 69.764 69.764 70.421 -0.657 25443 10204 1 16 . 1 1 87 87 THR H H 87 8.557 8.557 8.505 0.052 25443 10205 1 16 . 1 1 88 88 PHE N N 88 120.343 120.343 121.653 -1.310 25443 10206 1 16 . 1 1 88 88 PHE HA H 88 5.273 5.273 5.290 -0.017 25443 10207 1 16 . 1 1 88 88 PHE C C 88 174.288 174.288 173.826 0.462 25443 10208 1 16 . 1 1 88 88 PHE CA C 88 55.959 55.959 55.841 0.118 25443 10209 1 16 . 1 1 88 88 PHE CB C 88 41.079 41.079 41.139 -0.060 25443 10210 1 16 . 1 1 88 88 PHE H H 88 8.114 8.114 7.916 0.198 25443 10211 1 16 . 1 1 89 89 TYR N N 89 123.043 123.043 125.084 -2.041 25443 10212 1 16 . 1 1 89 89 TYR HA H 89 4.026 4.026 4.554 -0.528 25443 10213 1 16 . 1 1 89 89 TYR C C 89 173.155 173.155 173.589 -0.434 25443 10214 1 16 . 1 1 89 89 TYR CA C 89 57.493 57.493 57.424 0.069 25443 10215 1 16 . 1 1 89 89 TYR CB C 89 39.829 39.829 42.410 -2.581 25443 10216 1 16 . 1 1 89 89 TYR H H 89 8.176 8.176 8.998 -0.822 25443 10217 1 16 . 1 1 90 90 ARG N N 90 129.004 129.004 127.113 1.891 25443 10218 1 16 . 1 1 90 90 ARG HA H 90 4.398 4.398 4.524 -0.126 25443 10219 1 16 . 1 1 90 90 ARG CA C 90 51.548 51.548 51.758 -0.210 25443 10220 1 16 . 1 1 90 90 ARG CB C 90 30.882 30.882 30.230 0.652 25443 10221 1 16 . 1 1 90 90 ARG H H 90 7.078 7.078 7.840 -0.762 25443 10222 1 16 . 1 1 91 91 PRO HA H 91 4.155 4.155 4.194 -0.039 25443 10223 1 16 . 1 1 91 91 PRO C C 91 176.340 176.340 176.235 0.105 25443 10224 1 16 . 1 1 91 91 PRO CA C 91 62.454 62.454 62.297 0.157 25443 10225 1 16 . 1 1 91 91 PRO CB C 91 33.072 33.072 31.886 1.187 25443 10226 1 16 . 1 1 92 92 LYS N N 92 119.682 119.682 123.624 -3.942 25443 10227 1 16 . 1 1 92 92 LYS CA C 92 54.711 54.711 55.365 -0.654 25443 10228 1 16 . 1 1 92 92 LYS H H 92 8.644 8.644 8.487 0.157 25443 10229 1 16 . 1 1 93 93 ARG C C 93 178.899 178.899 178.381 0.518 25443 10230 1 16 . 1 1 93 93 ARG CA C 93 59.125 59.125 58.667 0.458 25443 10231 1 16 . 1 1 94 94 SER N N 94 112.166 112.166 114.822 -2.656 25443 10232 1 16 . 1 1 94 94 SER HA H 94 4.176 4.176 4.367 -0.191 25443 10233 1 16 . 1 1 94 94 SER C C 94 175.776 175.776 175.110 0.666 25443 10234 1 16 . 1 1 94 94 SER CA C 94 60.031 60.031 60.423 -0.393 25443 10235 1 16 . 1 1 94 94 SER CB C 94 62.152 62.152 63.026 -0.874 25443 10236 1 16 . 1 1 94 94 SER H H 94 8.299 8.299 8.217 0.082 25443 10237 1 16 . 1 1 95 95 LEU N N 95 122.179 122.179 119.532 2.647 25443 10238 1 16 . 1 1 95 95 LEU HA H 95 4.651 4.651 4.737 -0.086 25443 10239 1 16 . 1 1 95 95 LEU C C 95 175.381 175.381 177.056 -1.675 25443 10240 1 16 . 1 1 95 95 LEU CA C 95 53.934 53.934 53.837 0.097 25443 10241 1 16 . 1 1 95 95 LEU CB C 95 41.861 41.861 40.422 1.439 25443 10242 1 16 . 1 1 95 95 LEU H H 95 7.159 7.159 7.422 -0.263 25443 10243 1 16 . 1 1 96 96 GLN N N 96 118.834 118.834 119.800 -0.966 25443 10244 1 16 . 1 1 96 96 GLN HA H 96 4.030 4.030 4.130 -0.100 25443 10245 1 16 . 1 1 96 96 GLN C C 96 177.751 177.751 177.679 0.072 25443 10246 1 16 . 1 1 96 96 GLN CA C 96 60.705 60.705 58.947 1.758 25443 10247 1 16 . 1 1 96 96 GLN CB C 96 28.822 28.822 28.300 0.522 25443 10248 1 16 . 1 1 96 96 GLN H H 96 7.329 7.329 7.630 -0.301 25443 10249 1 16 . 1 1 97 97 LYS N N 97 116.469 116.469 119.744 -3.275 25443 10250 1 16 . 1 1 97 97 LYS HA H 97 4.060 4.060 4.129 -0.069 25443 10251 1 16 . 1 1 97 97 LYS C C 97 179.164 179.164 178.752 0.412 25443 10252 1 16 . 1 1 97 97 LYS CA C 97 59.430 59.430 58.693 0.737 25443 10253 1 16 . 1 1 97 97 LYS CB C 97 31.511 31.511 32.027 -0.516 25443 10254 1 16 . 1 1 97 97 LYS H H 97 8.614 8.614 8.256 0.358 25443 10255 1 16 . 1 1 98 98 TYR N N 98 124.165 124.165 122.127 2.038 25443 10256 1 16 . 1 1 98 98 TYR HA H 98 4.079 4.079 4.120 -0.041 25443 10257 1 16 . 1 1 98 98 TYR C C 98 177.316 177.316 177.770 -0.454 25443 10258 1 16 . 1 1 98 98 TYR CA C 98 62.205 62.205 62.147 0.058 25443 10259 1 16 . 1 1 98 98 TYR CB C 98 37.162 37.162 38.439 -1.277 25443 10260 1 16 . 1 1 98 98 TYR H H 98 7.585 7.585 7.897 -0.312 25443 10261 1 16 . 1 1 99 99 TYR N N 99 117.955 117.955 117.119 0.836 25443 10262 1 16 . 1 1 99 99 TYR HA H 99 5.078 5.078 4.275 0.803 25443 10263 1 16 . 1 1 99 99 TYR C C 99 180.957 180.957 178.160 2.797 25443 10264 1 16 . 1 1 99 99 TYR CA C 99 57.741 57.741 61.867 -4.126 25443 10265 1 16 . 1 1 99 99 TYR CB C 99 37.083 37.083 37.813 -0.730 25443 10266 1 16 . 1 1 99 99 TYR H H 99 8.660 8.660 8.204 0.456 25443 10267 1 16 . 1 1 100 100 GLU N N 100 118.796 118.796 120.325 -1.529 25443 10268 1 16 . 1 1 100 100 GLU HA H 100 4.024 4.024 3.958 0.066 25443 10269 1 16 . 1 1 100 100 GLU C C 100 178.571 178.571 178.693 -0.122 25443 10270 1 16 . 1 1 100 100 GLU CA C 100 59.400 59.400 59.439 -0.039 25443 10271 1 16 . 1 1 100 100 GLU CB C 100 29.660 29.660 29.631 0.029 25443 10272 1 16 . 1 1 100 100 GLU H H 100 8.263 8.263 7.996 0.267 25443 10273 1 16 . 1 1 101 101 ALA N N 101 123.346 123.346 121.304 2.042 25443 10274 1 16 . 1 1 101 101 ALA HA H 101 4.244 4.244 4.224 0.019 25443 10275 1 16 . 1 1 101 101 ALA C C 101 181.331 181.331 179.954 1.377 25443 10276 1 16 . 1 1 101 101 ALA CA C 101 54.851 54.851 54.977 -0.126 25443 10277 1 16 . 1 1 101 101 ALA CB C 101 18.559 18.559 18.570 -0.011 25443 10278 1 16 . 1 1 101 101 ALA H H 101 7.966 7.966 8.179 -0.213 25443 10279 1 16 . 1 1 102 102 VAL N N 102 120.241 120.241 118.529 1.712 25443 10280 1 16 . 1 1 102 102 VAL HA H 102 3.713 3.713 3.518 0.195 25443 10281 1 16 . 1 1 102 102 VAL C C 102 176.967 176.967 177.684 -0.717 25443 10282 1 16 . 1 1 102 102 VAL CA C 102 67.433 67.433 66.141 1.292 25443 10283 1 16 . 1 1 102 102 VAL CB C 102 31.721 31.721 31.620 0.101 25443 10284 1 16 . 1 1 102 102 VAL H H 102 8.331 8.331 7.783 0.548 25443 10285 1 16 . 1 1 103 103 LYS N N 103 120.001 120.001 120.958 -0.957 25443 10286 1 16 . 1 1 103 103 LYS HA H 103 3.859 3.859 3.900 -0.041 25443 10287 1 16 . 1 1 103 103 LYS C C 103 178.500 178.500 178.496 0.004 25443 10288 1 16 . 1 1 103 103 LYS CA C 103 59.652 59.652 60.277 -0.625 25443 10289 1 16 . 1 1 103 103 LYS CB C 103 32.040 32.040 32.383 -0.343 25443 10290 1 16 . 1 1 103 103 LYS H H 103 8.201 8.201 8.174 0.027 25443 10291 1 16 . 1 1 104 104 GLU N N 104 116.335 116.335 116.727 -0.392 25443 10292 1 16 . 1 1 104 104 GLU HA H 104 3.928 3.928 4.130 -0.202 25443 10293 1 16 . 1 1 104 104 GLU C C 104 178.645 178.645 178.166 0.479 25443 10294 1 16 . 1 1 104 104 GLU CA C 104 59.110 59.110 59.034 0.076 25443 10295 1 16 . 1 1 104 104 GLU CB C 104 29.607 29.607 29.020 0.587 25443 10296 1 16 . 1 1 104 104 GLU H H 104 7.909 7.909 8.005 -0.096 25443 10297 1 16 . 1 1 105 105 GLU N N 105 119.210 119.210 117.759 1.451 25443 10298 1 16 . 1 1 105 105 GLU HA H 105 3.844 3.844 4.225 -0.381 25443 10299 1 16 . 1 1 105 105 GLU C C 105 178.613 178.613 177.994 0.619 25443 10300 1 16 . 1 1 105 105 GLU CA C 105 58.162 58.162 57.305 0.857 25443 10301 1 16 . 1 1 105 105 GLU CB C 105 29.754 29.754 29.736 0.018 25443 10302 1 16 . 1 1 105 105 GLU H H 105 7.257 7.257 7.645 -0.388 25443 10303 1 16 . 1 1 106 106 LEU N N 106 117.408 117.408 119.152 -1.744 25443 10304 1 16 . 1 1 106 106 LEU HA H 106 3.976 3.976 4.142 -0.166 25443 10305 1 16 . 1 1 106 106 LEU C C 106 178.646 178.646 178.855 -0.209 25443 10306 1 16 . 1 1 106 106 LEU CA C 106 56.699 56.699 57.417 -0.718 25443 10307 1 16 . 1 1 106 106 LEU CB C 106 40.455 40.455 42.107 -1.652 25443 10308 1 16 . 1 1 106 106 LEU H H 106 8.169 8.169 7.680 0.489 25443 10309 1 16 . 1 1 107 107 ASP N N 107 119.073 119.073 119.137 -0.064 25443 10310 1 16 . 1 1 107 107 ASP HA H 107 4.521 4.521 4.398 0.123 25443 10311 1 16 . 1 1 107 107 ASP C C 107 177.069 177.069 178.003 -0.934 25443 10312 1 16 . 1 1 107 107 ASP CA C 107 55.099 55.099 57.707 -2.608 25443 10313 1 16 . 1 1 107 107 ASP CB C 107 40.670 40.670 40.447 0.223 25443 10314 1 16 . 1 1 107 107 ASP H H 107 8.003 8.003 8.667 -0.664 25443 10315 1 16 . 1 1 108 108 ARG N N 108 120.705 120.705 118.175 2.530 25443 10316 1 16 . 1 1 108 108 ARG HA H 108 4.067 4.067 4.098 -0.031 25443 10317 1 16 . 1 1 108 108 ARG C C 108 176.990 176.990 177.304 -0.314 25443 10318 1 16 . 1 1 108 108 ARG CA C 108 57.517 57.517 58.240 -0.723 25443 10319 1 16 . 1 1 108 108 ARG CB C 108 30.407 30.407 29.979 0.428 25443 10320 1 16 . 1 1 108 108 ARG H H 108 7.603 7.603 7.804 -0.201 25443 10321 1 16 . 1 1 109 109 ASP N N 109 120.246 120.246 118.060 2.186 25443 10322 1 16 . 1 1 109 109 ASP HA H 109 4.521 4.521 4.486 0.035 25443 10323 1 16 . 1 1 109 109 ASP C C 109 176.630 176.630 177.805 -1.175 25443 10324 1 16 . 1 1 109 109 ASP CA C 109 55.028 55.028 56.535 -1.507 25443 10325 1 16 . 1 1 109 109 ASP CB C 109 40.936 40.936 40.979 -0.043 25443 10326 1 16 . 1 1 109 109 ASP H H 109 8.226 8.226 7.785 0.441 25443 10327 1 16 . 1 1 110 110 ILE N N 110 120.386 120.386 118.480 1.906 25443 10328 1 16 . 1 1 110 110 ILE HA H 110 3.987 3.987 3.821 0.166 25443 10329 1 16 . 1 1 110 110 ILE C C 110 176.996 176.996 177.660 -0.664 25443 10330 1 16 . 1 1 110 110 ILE CA C 110 62.241 62.241 63.451 -1.210 25443 10331 1 16 . 1 1 110 110 ILE CB C 110 38.359 38.359 38.568 -0.209 25443 10332 1 16 . 1 1 110 110 ILE H H 110 7.863 7.863 7.237 0.626 25443 10333 1 16 . 1 1 111 111 VAL N N 111 122.548 122.548 115.134 7.414 25443 10334 1 16 . 1 1 111 111 VAL HA H 111 3.946 3.946 3.571 0.375 25443 10335 1 16 . 1 1 111 111 VAL C C 111 176.938 176.938 176.087 0.851 25443 10336 1 16 . 1 1 111 111 VAL CA C 111 63.499 63.499 65.081 -1.582 25443 10337 1 16 . 1 1 111 111 VAL CB C 111 32.223 32.223 30.688 1.535 25443 10338 1 16 . 1 1 111 111 VAL H H 111 8.016 8.016 8.048 -0.032 25443 10339 1 16 . 1 1 112 112 SER N N 112 117.984 117.984 112.658 5.326 25443 10340 1 16 . 1 1 112 112 SER HA H 112 4.317 4.317 4.632 -0.315 25443 10341 1 16 . 1 1 112 112 SER C C 112 175.154 175.154 172.490 2.664 25443 10342 1 16 . 1 1 112 112 SER CA C 112 59.025 59.025 57.931 1.094 25443 10343 1 16 . 1 1 112 112 SER CB C 112 63.419 63.419 64.529 -1.110 25443 10344 1 16 . 1 1 112 112 SER H H 112 8.187 8.187 8.031 0.156 25443 10345 1 16 . 1 1 113 113 LYS N N 113 122.727 122.727 118.655 4.072 25443 10346 1 16 . 1 1 113 113 LYS HA H 113 4.209 4.209 4.451 -0.242 25443 10347 1 16 . 1 1 113 113 LYS C C 113 176.713 176.713 175.732 0.981 25443 10348 1 16 . 1 1 113 113 LYS CA C 113 56.844 56.844 56.138 0.707 25443 10349 1 16 . 1 1 113 113 LYS CB C 113 32.794 32.794 33.728 -0.934 25443 10350 1 16 . 1 1 113 113 LYS H H 113 8.152 8.152 8.254 -0.102 25443 10351 1 16 . 1 1 114 114 ASN N N 114 118.886 118.886 119.452 -0.566 25443 10352 1 16 . 1 1 114 114 ASN C C 114 175.227 175.227 173.930 1.297 25443 10353 1 16 . 1 1 114 114 ASN CA C 114 53.549 53.549 53.578 -0.029 25443 10354 1 16 . 1 1 114 114 ASN H H 114 8.261 8.261 8.185 0.076 25443 10355 1 16 . 1 1 115 115 ASN N N 115 119.345 119.345 120.615 -1.270 25443 10356 1 16 . 1 1 115 115 ASN C C 115 174.896 174.896 174.601 0.295 25443 10357 1 16 . 1 1 115 115 ASN CA C 115 53.476 53.476 53.454 0.022 25443 10358 1 16 . 1 1 115 115 ASN H H 115 8.257 8.257 8.258 -0.001 25443 10359 1 16 . 1 1 116 116 ALA N N 116 123.669 123.669 122.449 1.220 25443 10360 1 16 . 1 1 116 116 ALA HA H 116 4.254 4.254 4.535 -0.281 25443 10361 1 16 . 1 1 116 116 ALA C C 116 177.567 177.567 177.852 -0.285 25443 10362 1 16 . 1 1 116 116 ALA CA C 116 52.678 52.678 51.531 1.147 25443 10363 1 16 . 1 1 116 116 ALA CB C 116 19.243 19.243 19.974 -0.731 25443 10364 1 16 . 1 1 116 116 ALA H H 116 8.094 8.094 7.598 0.496 25443 10365 1 16 . 1 1 117 117 GLU N N 117 120.083 120.083 120.493 -0.410 25443 10366 1 16 . 1 1 117 117 GLU C C 117 175.564 175.564 177.189 -1.625 25443 10367 1 16 . 1 1 117 117 GLU CA C 117 56.602 56.602 57.490 -0.888 25443 10368 1 16 . 1 1 117 117 GLU H H 117 8.221 8.221 8.565 -0.344 25443 10369 1 17 . 1 1 2 2 ALA HA H 2 4.286 4.286 4.873 -0.587 25443 10370 1 17 . 1 1 2 2 ALA C C 2 177.853 177.853 176.613 1.240 25443 10371 1 17 . 1 1 2 2 ALA CA C 2 52.661 52.661 52.518 0.143 25443 10372 1 17 . 1 1 2 2 ALA CB C 2 19.308 19.308 19.750 -0.442 25443 10373 1 17 . 1 1 3 3 MET N N 3 119.404 119.404 120.651 -1.247 25443 10374 1 17 . 1 1 3 3 MET HA H 3 4.435 4.435 4.755 -0.320 25443 10375 1 17 . 1 1 3 3 MET C C 3 176.731 176.731 176.829 -0.098 25443 10376 1 17 . 1 1 3 3 MET CA C 3 55.503 55.503 55.827 -0.324 25443 10377 1 17 . 1 1 3 3 MET CB C 3 32.795 32.795 34.114 -1.319 25443 10378 1 17 . 1 1 3 3 MET H H 3 8.530 8.530 8.680 -0.150 25443 10379 1 17 . 1 1 4 4 GLY N N 4 109.968 109.968 109.700 0.268 25443 10380 1 17 . 1 1 4 4 GLY C C 4 174.057 174.057 174.346 -0.289 25443 10381 1 17 . 1 1 4 4 GLY CA C 4 45.363 45.363 44.819 0.544 25443 10382 1 17 . 1 1 4 4 GLY H H 4 8.414 8.414 7.956 0.458 25443 10383 1 17 . 1 1 5 5 ASN N N 5 118.659 118.659 121.733 -3.074 25443 10384 1 17 . 1 1 5 5 ASN HA H 5 4.606 4.606 4.498 0.108 25443 10385 1 17 . 1 1 5 5 ASN C C 5 175.443 175.443 176.435 -0.992 25443 10386 1 17 . 1 1 5 5 ASN CA C 5 53.530 53.530 54.964 -1.434 25443 10387 1 17 . 1 1 5 5 ASN CB C 5 38.876 38.876 38.503 0.373 25443 10388 1 17 . 1 1 5 5 ASN H H 5 8.326 8.326 8.828 -0.502 25443 10389 1 17 . 1 1 6 6 GLU N N 6 120.909 120.909 118.490 2.419 25443 10390 1 17 . 1 1 6 6 GLU HA H 6 4.097 4.097 4.026 0.071 25443 10391 1 17 . 1 1 6 6 GLU C C 6 176.261 176.261 176.727 -0.466 25443 10392 1 17 . 1 1 6 6 GLU CA C 6 57.171 57.171 57.969 -0.798 25443 10393 1 17 . 1 1 6 6 GLU CB C 6 29.715 29.715 28.500 1.215 25443 10394 1 17 . 1 1 6 6 GLU H H 6 8.633 8.633 8.887 -0.254 25443 10395 1 17 . 1 1 7 7 TYR N N 7 120.283 120.283 115.121 5.162 25443 10396 1 17 . 1 1 7 7 TYR HA H 7 4.440 4.440 5.056 -0.616 25443 10397 1 17 . 1 1 7 7 TYR C C 7 175.789 175.789 174.682 1.107 25443 10398 1 17 . 1 1 7 7 TYR CA C 7 58.061 58.061 57.477 0.584 25443 10399 1 17 . 1 1 7 7 TYR CB C 7 38.193 38.193 39.050 -0.857 25443 10400 1 17 . 1 1 7 7 TYR H H 7 8.069 8.069 7.595 0.474 25443 10401 1 17 . 1 1 8 8 LYS N N 8 121.780 121.780 120.354 1.426 25443 10402 1 17 . 1 1 8 8 LYS HA H 8 4.107 4.107 4.428 -0.321 25443 10403 1 17 . 1 1 8 8 LYS C C 8 175.970 175.970 177.618 -1.648 25443 10404 1 17 . 1 1 8 8 LYS CA C 8 56.550 56.550 57.529 -0.979 25443 10405 1 17 . 1 1 8 8 LYS CB C 8 33.141 33.141 34.222 -1.081 25443 10406 1 17 . 1 1 8 8 LYS H H 8 7.868 7.868 7.679 0.189 25443 10407 1 17 . 1 1 9 9 ASP N N 9 119.825 119.825 119.581 0.244 25443 10408 1 17 . 1 1 9 9 ASP HA H 9 4.577 4.577 4.572 0.005 25443 10409 1 17 . 1 1 9 9 ASP C C 9 175.979 175.979 177.672 -1.693 25443 10410 1 17 . 1 1 9 9 ASP CA C 9 54.608 54.608 57.526 -2.918 25443 10411 1 17 . 1 1 9 9 ASP CB C 9 41.455 41.455 40.807 0.648 25443 10412 1 17 . 1 1 9 9 ASP H H 9 8.164 8.164 8.587 -0.423 25443 10413 1 17 . 1 1 10 10 ASN N N 10 119.410 119.410 118.180 1.230 25443 10414 1 17 . 1 1 10 10 ASN HA H 10 4.935 4.935 4.963 -0.028 25443 10415 1 17 . 1 1 10 10 ASN C C 10 174.654 174.654 174.717 -0.063 25443 10416 1 17 . 1 1 10 10 ASN CA C 10 52.792 52.792 53.184 -0.392 25443 10417 1 17 . 1 1 10 10 ASN CB C 10 38.554 38.554 37.933 0.621 25443 10418 1 17 . 1 1 10 10 ASN H H 10 8.284 8.284 8.283 0.001 25443 10419 1 17 . 1 1 11 11 ALA N N 11 122.716 122.716 123.499 -0.783 25443 10420 1 17 . 1 1 11 11 ALA HA H 11 4.521 4.521 4.240 0.281 25443 10421 1 17 . 1 1 11 11 ALA CA C 11 53.148 53.148 52.473 0.675 25443 10422 1 17 . 1 1 11 11 ALA CB C 11 19.223 19.223 17.701 1.522 25443 10423 1 17 . 1 1 11 11 ALA H H 11 8.260 8.260 7.196 1.064 25443 10424 1 17 . 1 1 12 12 TYR HA H 12 4.943 4.943 5.279 -0.336 25443 10425 1 17 . 1 1 12 12 TYR C C 12 177.075 177.075 174.286 2.789 25443 10426 1 17 . 1 1 12 12 TYR CA C 12 57.314 57.314 57.348 -0.034 25443 10427 1 17 . 1 1 12 12 TYR CB C 12 42.614 42.614 42.730 -0.116 25443 10428 1 17 . 1 1 13 13 ILE N N 13 114.211 114.211 118.560 -4.349 25443 10429 1 17 . 1 1 13 13 ILE HA H 13 4.981 4.981 5.239 -0.258 25443 10430 1 17 . 1 1 13 13 ILE C C 13 174.500 174.500 174.135 0.365 25443 10431 1 17 . 1 1 13 13 ILE CA C 13 60.380 60.380 58.830 1.550 25443 10432 1 17 . 1 1 13 13 ILE CB C 13 39.792 39.792 41.382 -1.589 25443 10433 1 17 . 1 1 13 13 ILE H H 13 9.358 9.358 9.014 0.344 25443 10434 1 17 . 1 1 14 14 TYR N N 14 124.891 124.891 127.632 -2.741 25443 10435 1 17 . 1 1 14 14 TYR HA H 14 4.579 4.579 4.940 -0.361 25443 10436 1 17 . 1 1 14 14 TYR C C 14 173.192 173.192 174.092 -0.900 25443 10437 1 17 . 1 1 14 14 TYR CA C 14 56.202 56.202 57.355 -1.153 25443 10438 1 17 . 1 1 14 14 TYR CB C 14 40.163 40.163 40.265 -0.102 25443 10439 1 17 . 1 1 14 14 TYR H H 14 9.163 9.163 9.128 0.035 25443 10440 1 17 . 1 1 15 15 ILE N N 15 127.801 127.801 126.428 1.373 25443 10441 1 17 . 1 1 15 15 ILE HA H 15 4.210 4.210 5.132 -0.922 25443 10442 1 17 . 1 1 15 15 ILE C C 15 173.823 173.823 175.789 -1.966 25443 10443 1 17 . 1 1 15 15 ILE CA C 15 59.616 59.616 58.978 0.638 25443 10444 1 17 . 1 1 15 15 ILE CB C 15 39.735 39.735 41.391 -1.656 25443 10445 1 17 . 1 1 15 15 ILE H H 15 8.569 8.569 8.387 0.182 25443 10446 1 17 . 1 1 16 16 GLY N N 16 112.441 112.441 111.463 0.978 25443 10447 1 17 . 1 1 16 16 GLY C C 16 173.159 173.159 173.715 -0.556 25443 10448 1 17 . 1 1 16 16 GLY CA C 16 43.244 43.244 43.179 0.065 25443 10449 1 17 . 1 1 16 16 GLY H H 16 9.354 9.354 7.863 1.491 25443 10450 1 17 . 1 1 17 17 ASN N N 17 114.797 114.797 118.549 -3.752 25443 10451 1 17 . 1 1 17 17 ASN HA H 17 4.347 4.347 4.639 -0.292 25443 10452 1 17 . 1 1 17 17 ASN C C 17 174.834 174.834 175.376 -0.542 25443 10453 1 17 . 1 1 17 17 ASN CA C 17 53.214 53.214 53.445 -0.231 25443 10454 1 17 . 1 1 17 17 ASN CB C 17 37.826 37.826 38.392 -0.566 25443 10455 1 17 . 1 1 17 17 ASN H H 17 8.552 8.552 8.566 -0.014 25443 10456 1 17 . 1 1 18 18 LEU N N 18 114.526 114.526 125.509 -10.983 25443 10457 1 17 . 1 1 18 18 LEU HA H 18 3.994 3.994 4.423 -0.429 25443 10458 1 17 . 1 1 18 18 LEU C C 18 177.948 177.948 175.869 2.079 25443 10459 1 17 . 1 1 18 18 LEU CA C 18 53.772 53.772 53.658 0.114 25443 10460 1 17 . 1 1 18 18 LEU CB C 18 42.385 42.385 43.448 -1.063 25443 10461 1 17 . 1 1 18 18 LEU H H 18 7.743 7.743 8.043 -0.300 25443 10462 1 17 . 1 1 19 19 ASN N N 19 122.718 122.718 117.796 4.922 25443 10463 1 17 . 1 1 19 19 ASN HA H 19 4.302 4.302 4.618 -0.316 25443 10464 1 17 . 1 1 19 19 ASN C C 19 178.040 178.040 177.286 0.754 25443 10465 1 17 . 1 1 19 19 ASN CA C 19 54.421 54.421 53.350 1.071 25443 10466 1 17 . 1 1 19 19 ASN CB C 19 38.580 38.580 39.502 -0.922 25443 10467 1 17 . 1 1 19 19 ASN H H 19 8.758 8.758 8.561 0.197 25443 10468 1 17 . 1 1 20 20 ARG N N 20 128.821 128.821 125.097 3.724 25443 10469 1 17 . 1 1 20 20 ARG HA H 20 3.790 3.790 4.120 -0.330 25443 10470 1 17 . 1 1 20 20 ARG C C 20 175.566 175.566 176.529 -0.963 25443 10471 1 17 . 1 1 20 20 ARG CA C 20 58.775 58.775 58.337 0.438 25443 10472 1 17 . 1 1 20 20 ARG CB C 20 29.642 29.642 29.432 0.210 25443 10473 1 17 . 1 1 20 20 ARG H H 20 8.997 8.997 8.750 0.247 25443 10474 1 17 . 1 1 21 21 GLU N N 21 117.438 117.438 118.177 -0.739 25443 10475 1 17 . 1 1 21 21 GLU HA H 21 4.214 4.214 4.363 -0.149 25443 10476 1 17 . 1 1 21 21 GLU C C 21 177.076 177.076 176.201 0.875 25443 10477 1 17 . 1 1 21 21 GLU CA C 21 56.677 56.677 55.869 0.808 25443 10478 1 17 . 1 1 21 21 GLU CB C 21 30.451 30.451 30.271 0.180 25443 10479 1 17 . 1 1 21 21 GLU H H 21 9.043 9.043 8.289 0.754 25443 10480 1 17 . 1 1 22 22 LEU N N 22 116.311 116.311 122.098 -5.787 25443 10481 1 17 . 1 1 22 22 LEU HA H 22 4.491 4.491 4.280 0.211 25443 10482 1 17 . 1 1 22 22 LEU C C 22 178.389 178.389 176.712 1.677 25443 10483 1 17 . 1 1 22 22 LEU CA C 22 55.496 55.496 54.441 1.055 25443 10484 1 17 . 1 1 22 22 LEU CB C 22 42.148 42.148 41.719 0.429 25443 10485 1 17 . 1 1 22 22 LEU H H 22 7.183 7.183 7.647 -0.464 25443 10486 1 17 . 1 1 23 23 THR N N 23 113.850 113.850 116.942 -3.092 25443 10487 1 17 . 1 1 23 23 THR HA H 23 4.289 4.289 4.605 -0.316 25443 10488 1 17 . 1 1 23 23 THR C C 23 175.229 175.229 175.626 -0.397 25443 10489 1 17 . 1 1 23 23 THR CA C 23 59.895 59.895 59.449 0.446 25443 10490 1 17 . 1 1 23 23 THR CB C 23 71.989 71.989 70.950 1.039 25443 10491 1 17 . 1 1 23 23 THR H H 23 8.743 8.743 8.977 -0.234 25443 10492 1 17 . 1 1 24 24 GLU N N 24 119.724 119.724 119.727 -0.003 25443 10493 1 17 . 1 1 24 24 GLU HA H 24 3.591 3.591 4.041 -0.450 25443 10494 1 17 . 1 1 24 24 GLU C C 24 178.597 178.597 178.755 -0.158 25443 10495 1 17 . 1 1 24 24 GLU CA C 24 63.490 63.490 59.761 3.729 25443 10496 1 17 . 1 1 24 24 GLU CB C 24 27.433 27.433 29.311 -1.878 25443 10497 1 17 . 1 1 24 24 GLU H H 24 9.641 9.641 8.908 0.733 25443 10498 1 17 . 1 1 25 25 GLY N N 25 104.430 104.430 107.664 -3.234 25443 10499 1 17 . 1 1 25 25 GLY C C 25 175.425 175.425 175.623 -0.198 25443 10500 1 17 . 1 1 25 25 GLY CA C 25 47.334 47.334 46.782 0.552 25443 10501 1 17 . 1 1 25 25 GLY H H 25 8.423 8.423 7.805 0.618 25443 10502 1 17 . 1 1 26 26 ASP N N 26 123.128 123.128 123.500 -0.372 25443 10503 1 17 . 1 1 26 26 ASP HA H 26 4.530 4.530 4.381 0.149 25443 10504 1 17 . 1 1 26 26 ASP C C 26 177.878 177.878 178.638 -0.760 25443 10505 1 17 . 1 1 26 26 ASP CA C 26 57.429 57.429 57.784 -0.355 25443 10506 1 17 . 1 1 26 26 ASP CB C 26 41.612 41.612 40.801 0.811 25443 10507 1 17 . 1 1 26 26 ASP H H 26 7.859 7.859 7.553 0.306 25443 10508 1 17 . 1 1 27 27 ILE N N 27 118.864 118.864 120.369 -1.505 25443 10509 1 17 . 1 1 27 27 ILE HA H 27 3.534 3.534 3.769 -0.235 25443 10510 1 17 . 1 1 27 27 ILE C C 27 178.225 178.225 178.362 -0.137 25443 10511 1 17 . 1 1 27 27 ILE CA C 27 65.627 65.627 65.031 0.596 25443 10512 1 17 . 1 1 27 27 ILE CB C 27 37.614 37.614 38.001 -0.387 25443 10513 1 17 . 1 1 27 27 ILE H H 27 8.055 8.055 7.957 0.098 25443 10514 1 17 . 1 1 28 28 LEU N N 28 119.416 119.416 120.991 -1.575 25443 10515 1 17 . 1 1 28 28 LEU HA H 28 3.861 3.861 4.108 -0.247 25443 10516 1 17 . 1 1 28 28 LEU C C 28 179.884 179.884 178.562 1.322 25443 10517 1 17 . 1 1 28 28 LEU CA C 28 58.758 58.758 58.459 0.298 25443 10518 1 17 . 1 1 28 28 LEU CB C 28 41.137 41.137 41.636 -0.499 25443 10519 1 17 . 1 1 28 28 LEU H H 28 8.423 8.423 8.373 0.050 25443 10520 1 17 . 1 1 29 29 THR N N 29 119.586 119.586 116.230 3.356 25443 10521 1 17 . 1 1 29 29 THR HA H 29 3.790 3.790 3.874 -0.084 25443 10522 1 17 . 1 1 29 29 THR C C 29 176.530 176.530 176.761 -0.231 25443 10523 1 17 . 1 1 29 29 THR CA C 29 67.322 67.322 67.258 0.064 25443 10524 1 17 . 1 1 29 29 THR CB C 29 68.372 68.372 68.750 -0.378 25443 10525 1 17 . 1 1 29 29 THR H H 29 8.552 8.552 7.976 0.576 25443 10526 1 17 . 1 1 30 30 VAL N N 30 119.948 119.948 120.583 -0.635 25443 10527 1 17 . 1 1 30 30 VAL HA H 30 3.601 3.601 3.578 0.023 25443 10528 1 17 . 1 1 30 30 VAL C C 30 178.670 178.670 177.915 0.755 25443 10529 1 17 . 1 1 30 30 VAL CA C 30 66.081 66.081 65.924 0.157 25443 10530 1 17 . 1 1 30 30 VAL CB C 30 32.993 32.993 31.111 1.881 25443 10531 1 17 . 1 1 30 30 VAL H H 30 7.959 7.959 8.159 -0.200 25443 10532 1 17 . 1 1 31 31 PHE N N 31 113.636 113.636 117.213 -3.577 25443 10533 1 17 . 1 1 31 31 PHE HA H 31 4.006 4.006 4.502 -0.496 25443 10534 1 17 . 1 1 31 31 PHE C C 31 180.133 180.133 177.846 2.287 25443 10535 1 17 . 1 1 31 31 PHE CA C 31 62.266 62.266 60.247 2.019 25443 10536 1 17 . 1 1 31 31 PHE CB C 31 37.711 37.711 38.658 -0.947 25443 10537 1 17 . 1 1 31 31 PHE H H 31 8.726 8.726 7.855 0.871 25443 10538 1 17 . 1 1 32 32 SER N N 32 119.746 119.746 116.637 3.109 25443 10539 1 17 . 1 1 32 32 SER HA H 32 5.107 5.107 4.215 0.892 25443 10540 1 17 . 1 1 32 32 SER C C 32 173.450 173.450 176.827 -3.377 25443 10541 1 17 . 1 1 32 32 SER CA C 32 61.440 61.440 61.417 0.023 25443 10542 1 17 . 1 1 32 32 SER CB C 32 62.690 62.690 62.582 0.108 25443 10543 1 17 . 1 1 32 32 SER H H 32 8.564 8.564 8.510 0.054 25443 10544 1 17 . 1 1 33 33 GLU N N 33 118.689 118.689 120.926 -2.237 25443 10545 1 17 . 1 1 33 33 GLU HA H 33 3.854 3.854 4.005 -0.151 25443 10546 1 17 . 1 1 33 33 GLU C C 33 176.471 176.471 177.498 -1.027 25443 10547 1 17 . 1 1 33 33 GLU CA C 33 57.997 57.997 58.318 -0.321 25443 10548 1 17 . 1 1 33 33 GLU CB C 33 29.503 29.503 29.240 0.263 25443 10549 1 17 . 1 1 33 33 GLU H H 33 6.733 6.733 7.742 -1.009 25443 10550 1 17 . 1 1 34 34 TYR N N 34 111.313 111.313 117.482 -6.169 25443 10551 1 17 . 1 1 34 34 TYR HA H 34 4.469 4.469 4.471 -0.002 25443 10552 1 17 . 1 1 34 34 TYR C C 34 174.351 174.351 176.510 -2.159 25443 10553 1 17 . 1 1 34 34 TYR CA C 34 57.940 57.940 57.062 0.877 25443 10554 1 17 . 1 1 34 34 TYR CB C 34 39.557 39.557 38.401 1.155 25443 10555 1 17 . 1 1 34 34 TYR H H 34 6.662 6.662 7.359 -0.697 25443 10556 1 17 . 1 1 35 35 GLY N N 35 106.055 106.055 107.430 -1.375 25443 10557 1 17 . 1 1 35 35 GLY C C 35 170.709 170.709 174.559 -3.850 25443 10558 1 17 . 1 1 35 35 GLY CA C 35 45.230 45.230 45.743 -0.513 25443 10559 1 17 . 1 1 35 35 GLY H H 35 7.302 7.302 7.928 -0.626 25443 10560 1 17 . 1 1 36 36 VAL N N 36 121.596 121.596 120.887 0.709 25443 10561 1 17 . 1 1 36 36 VAL HA H 36 4.492 4.492 4.448 0.044 25443 10562 1 17 . 1 1 36 36 VAL CA C 36 59.912 59.912 59.099 0.813 25443 10563 1 17 . 1 1 36 36 VAL CB C 36 33.632 33.632 32.937 0.695 25443 10564 1 17 . 1 1 36 36 VAL H H 36 8.595 8.595 7.664 0.931 25443 10565 1 17 . 1 1 37 37 PRO HA H 37 4.499 4.499 4.688 -0.189 25443 10566 1 17 . 1 1 37 37 PRO C C 37 176.150 176.150 176.088 0.062 25443 10567 1 17 . 1 1 37 37 PRO CA C 37 62.320 62.320 62.349 -0.029 25443 10568 1 17 . 1 1 37 37 PRO CB C 37 31.945 31.945 31.439 0.506 25443 10569 1 17 . 1 1 38 38 VAL N N 38 114.135 114.135 122.380 -8.245 25443 10570 1 17 . 1 1 38 38 VAL HA H 38 4.436 4.436 4.504 -0.068 25443 10571 1 17 . 1 1 38 38 VAL C C 38 175.124 175.124 175.260 -0.136 25443 10572 1 17 . 1 1 38 38 VAL CA C 38 60.488 60.488 59.417 1.071 25443 10573 1 17 . 1 1 38 38 VAL CB C 38 32.560 32.560 33.492 -0.932 25443 10574 1 17 . 1 1 38 38 VAL H H 38 9.006 9.006 7.861 1.145 25443 10575 1 17 . 1 1 39 39 ASP N N 39 118.095 118.095 121.113 -3.018 25443 10576 1 17 . 1 1 39 39 ASP HA H 39 4.626 4.626 4.607 0.019 25443 10577 1 17 . 1 1 39 39 ASP C C 39 174.577 174.577 174.993 -0.416 25443 10578 1 17 . 1 1 39 39 ASP CA C 39 54.706 54.706 55.013 -0.307 25443 10579 1 17 . 1 1 39 39 ASP CB C 39 43.495 43.495 42.639 0.856 25443 10580 1 17 . 1 1 39 39 ASP H H 39 7.454 7.454 8.051 -0.597 25443 10581 1 17 . 1 1 40 40 VAL N N 40 121.566 121.566 123.419 -1.853 25443 10582 1 17 . 1 1 40 40 VAL HA H 40 4.897 4.897 4.515 0.382 25443 10583 1 17 . 1 1 40 40 VAL C C 40 170.928 170.928 174.284 -3.356 25443 10584 1 17 . 1 1 40 40 VAL CA C 40 60.729 60.729 60.934 -0.205 25443 10585 1 17 . 1 1 40 40 VAL CB C 40 34.373 34.373 35.165 -0.792 25443 10586 1 17 . 1 1 40 40 VAL H H 40 7.576 7.576 8.241 -0.665 25443 10587 1 17 . 1 1 41 41 ILE N N 41 125.247 125.247 130.426 -5.179 25443 10588 1 17 . 1 1 41 41 ILE HA H 41 4.752 4.752 4.742 0.010 25443 10589 1 17 . 1 1 41 41 ILE C C 41 175.440 175.440 174.307 1.133 25443 10590 1 17 . 1 1 41 41 ILE CA C 41 61.609 61.609 60.274 1.335 25443 10591 1 17 . 1 1 41 41 ILE H H 41 8.929 8.929 9.296 -0.367 25443 10592 1 17 . 1 1 42 42 LEU N N 42 128.791 128.791 129.038 -0.247 25443 10593 1 17 . 1 1 42 42 LEU HA H 42 4.387 4.387 4.536 -0.149 25443 10594 1 17 . 1 1 42 42 LEU C C 42 174.979 174.979 175.269 -0.290 25443 10595 1 17 . 1 1 42 42 LEU CA C 42 53.345 53.345 53.760 -0.415 25443 10596 1 17 . 1 1 42 42 LEU CB C 42 43.298 43.298 43.187 0.111 25443 10597 1 17 . 1 1 42 42 LEU H H 42 8.309 8.309 8.985 -0.676 25443 10598 1 17 . 1 1 43 43 SER N N 43 122.753 122.753 121.666 1.087 25443 10599 1 17 . 1 1 43 43 SER HA H 43 3.821 3.821 4.187 -0.366 25443 10600 1 17 . 1 1 43 43 SER C C 43 173.870 173.870 173.421 0.449 25443 10601 1 17 . 1 1 43 43 SER CA C 43 59.707 59.707 58.968 0.739 25443 10602 1 17 . 1 1 43 43 SER CB C 43 62.714 62.714 62.638 0.076 25443 10603 1 17 . 1 1 43 43 SER H H 43 8.317 8.317 8.140 0.177 25443 10604 1 17 . 1 1 44 44 ARG N N 44 128.068 128.068 125.786 2.282 25443 10605 1 17 . 1 1 44 44 ARG HA H 44 4.763 4.763 4.752 0.011 25443 10606 1 17 . 1 1 44 44 ARG C C 44 175.094 175.094 174.806 0.288 25443 10607 1 17 . 1 1 44 44 ARG CA C 44 54.100 54.100 54.550 -0.450 25443 10608 1 17 . 1 1 44 44 ARG CB C 44 34.218 34.218 34.607 -0.389 25443 10609 1 17 . 1 1 44 44 ARG H H 44 8.152 8.152 8.040 0.112 25443 10610 1 17 . 1 1 45 45 ASP N N 45 123.595 123.595 121.052 2.543 25443 10611 1 17 . 1 1 45 45 ASP HA H 45 4.172 4.172 4.535 -0.363 25443 10612 1 17 . 1 1 45 45 ASP C C 45 177.467 177.467 177.154 0.313 25443 10613 1 17 . 1 1 45 45 ASP CA C 45 54.898 54.898 53.902 0.996 25443 10614 1 17 . 1 1 45 45 ASP CB C 45 43.568 43.568 42.767 0.801 25443 10615 1 17 . 1 1 45 45 ASP H H 45 8.628 8.628 8.714 -0.086 25443 10616 1 17 . 1 1 46 46 GLU N N 46 125.161 125.161 124.086 1.075 25443 10617 1 17 . 1 1 46 46 GLU HA H 46 3.843 3.843 4.107 -0.264 25443 10618 1 17 . 1 1 46 46 GLU C C 46 175.690 175.690 176.871 -1.181 25443 10619 1 17 . 1 1 46 46 GLU CA C 46 58.861 58.861 58.454 0.407 25443 10620 1 17 . 1 1 46 46 GLU CB C 46 29.636 29.636 29.868 -0.232 25443 10621 1 17 . 1 1 46 46 GLU H H 46 9.013 9.013 8.953 0.060 25443 10622 1 17 . 1 1 47 47 ASN N N 47 115.135 115.135 116.824 -1.689 25443 10623 1 17 . 1 1 47 47 ASN HA H 47 4.842 4.842 4.736 0.106 25443 10624 1 17 . 1 1 47 47 ASN C C 47 176.655 176.655 177.040 -0.385 25443 10625 1 17 . 1 1 47 47 ASN CA C 47 54.897 54.897 54.656 0.241 25443 10626 1 17 . 1 1 47 47 ASN CB C 47 40.141 40.141 39.308 0.833 25443 10627 1 17 . 1 1 47 47 ASN H H 47 8.926 8.926 8.259 0.667 25443 10628 1 17 . 1 1 48 48 THR N N 48 107.544 107.544 112.206 -4.662 25443 10629 1 17 . 1 1 48 48 THR HA H 48 4.400 4.400 4.403 -0.003 25443 10630 1 17 . 1 1 48 48 THR C C 48 176.484 176.484 175.711 0.773 25443 10631 1 17 . 1 1 48 48 THR CA C 48 61.513 61.513 62.880 -1.367 25443 10632 1 17 . 1 1 48 48 THR CB C 48 71.189 71.189 69.672 1.517 25443 10633 1 17 . 1 1 48 48 THR H H 48 8.455 8.455 8.814 -0.359 25443 10634 1 17 . 1 1 49 49 GLY N N 49 111.753 111.753 109.516 2.237 25443 10635 1 17 . 1 1 49 49 GLY C C 49 173.167 173.167 173.318 -0.151 25443 10636 1 17 . 1 1 49 49 GLY CA C 49 45.628 45.628 44.944 0.684 25443 10637 1 17 . 1 1 49 49 GLY H H 49 8.607 8.607 7.787 0.820 25443 10638 1 17 . 1 1 50 50 GLU N N 50 119.978 119.978 119.548 0.430 25443 10639 1 17 . 1 1 50 50 GLU HA H 50 4.071 4.071 4.337 -0.266 25443 10640 1 17 . 1 1 50 50 GLU C C 50 176.629 176.629 175.615 1.014 25443 10641 1 17 . 1 1 50 50 GLU CA C 50 56.500 56.500 55.643 0.857 25443 10642 1 17 . 1 1 50 50 GLU CB C 50 30.927 30.927 30.357 0.570 25443 10643 1 17 . 1 1 50 50 GLU H H 50 7.796 7.796 8.045 -0.249 25443 10644 1 17 . 1 1 51 51 SER N N 51 115.672 115.672 118.069 -2.397 25443 10645 1 17 . 1 1 51 51 SER HA H 51 4.205 4.205 4.379 -0.174 25443 10646 1 17 . 1 1 51 51 SER C C 51 176.532 176.532 174.760 1.772 25443 10647 1 17 . 1 1 51 51 SER CA C 51 58.320 58.320 59.737 -1.417 25443 10648 1 17 . 1 1 51 51 SER CB C 51 64.596 64.596 63.495 1.101 25443 10649 1 17 . 1 1 51 51 SER H H 51 8.889 8.889 8.572 0.317 25443 10650 1 17 . 1 1 52 52 GLN N N 52 123.139 123.139 125.761 -2.622 25443 10651 1 17 . 1 1 52 52 GLN HA H 52 4.421 4.421 4.221 0.200 25443 10652 1 17 . 1 1 52 52 GLN C C 52 177.396 177.396 176.676 0.720 25443 10653 1 17 . 1 1 52 52 GLN CA C 52 55.051 55.051 56.104 -1.053 25443 10654 1 17 . 1 1 52 52 GLN CB C 52 29.874 29.874 28.873 1.001 25443 10655 1 17 . 1 1 52 52 GLN H H 52 9.078 9.078 8.558 0.520 25443 10656 1 17 . 1 1 53 53 GLY N N 53 105.904 105.904 107.022 -1.118 25443 10657 1 17 . 1 1 53 53 GLY C C 53 172.046 172.046 173.502 -1.456 25443 10658 1 17 . 1 1 53 53 GLY CA C 53 46.550 46.550 44.846 1.704 25443 10659 1 17 . 1 1 53 53 GLY H H 53 8.851 8.851 8.233 0.618 25443 10660 1 17 . 1 1 54 54 PHE N N 54 111.888 111.888 111.786 0.102 25443 10661 1 17 . 1 1 54 54 PHE HA H 54 5.253 5.253 4.981 0.272 25443 10662 1 17 . 1 1 54 54 PHE C C 54 171.570 171.570 172.694 -1.124 25443 10663 1 17 . 1 1 54 54 PHE CA C 54 55.592 55.592 55.680 -0.088 25443 10664 1 17 . 1 1 54 54 PHE CB C 54 40.806 40.806 39.589 1.217 25443 10665 1 17 . 1 1 54 54 PHE H H 54 6.827 6.827 7.081 -0.254 25443 10666 1 17 . 1 1 55 55 ALA N N 55 121.888 121.888 118.793 3.095 25443 10667 1 17 . 1 1 55 55 ALA HA H 55 5.032 5.032 4.810 0.222 25443 10668 1 17 . 1 1 55 55 ALA C C 55 172.957 172.957 174.261 -1.304 25443 10669 1 17 . 1 1 55 55 ALA CA C 55 49.477 49.477 51.051 -1.574 25443 10670 1 17 . 1 1 55 55 ALA H H 55 8.927 8.927 8.057 0.870 25443 10671 1 17 . 1 1 56 56 TYR N N 56 115.049 115.049 115.458 -0.409 25443 10672 1 17 . 1 1 56 56 TYR HA H 56 5.602 5.602 5.825 -0.223 25443 10673 1 17 . 1 1 56 56 TYR C C 56 175.162 175.162 174.422 0.740 25443 10674 1 17 . 1 1 56 56 TYR CA C 56 55.444 55.444 56.532 -1.088 25443 10675 1 17 . 1 1 56 56 TYR CB C 56 42.189 42.189 43.456 -1.267 25443 10676 1 17 . 1 1 56 56 TYR H H 56 9.020 9.020 9.092 -0.072 25443 10677 1 17 . 1 1 57 57 LEU N N 57 122.745 122.745 121.168 1.577 25443 10678 1 17 . 1 1 57 57 LEU HA H 57 4.713 4.713 4.959 -0.246 25443 10679 1 17 . 1 1 57 57 LEU C C 57 172.371 172.371 174.323 -1.952 25443 10680 1 17 . 1 1 57 57 LEU CA C 57 54.712 54.712 54.441 0.271 25443 10681 1 17 . 1 1 57 57 LEU CB C 57 46.754 46.754 46.558 0.196 25443 10682 1 17 . 1 1 57 57 LEU H H 57 8.706 8.706 8.839 -0.133 25443 10683 1 17 . 1 1 58 58 LYS N N 58 125.469 125.469 126.098 -0.629 25443 10684 1 17 . 1 1 58 58 LYS HA H 58 4.467 4.467 4.483 -0.016 25443 10685 1 17 . 1 1 58 58 LYS C C 58 175.152 175.152 173.838 1.314 25443 10686 1 17 . 1 1 58 58 LYS CA C 58 54.494 54.494 54.391 0.103 25443 10687 1 17 . 1 1 58 58 LYS CB C 58 36.479 36.479 34.650 1.829 25443 10688 1 17 . 1 1 58 58 LYS H H 58 7.948 7.948 8.910 -0.962 25443 10689 1 17 . 1 1 59 59 TYR N N 59 126.261 126.261 121.564 4.697 25443 10690 1 17 . 1 1 59 59 TYR HA H 59 5.003 5.003 4.713 0.290 25443 10691 1 17 . 1 1 59 59 TYR C C 59 176.020 176.020 174.167 1.853 25443 10692 1 17 . 1 1 59 59 TYR CA C 59 57.992 57.992 54.739 3.253 25443 10693 1 17 . 1 1 59 59 TYR CB C 59 41.715 41.715 40.663 1.052 25443 10694 1 17 . 1 1 59 59 TYR H H 59 8.957 8.957 7.800 1.157 25443 10695 1 17 . 1 1 60 60 GLU N N 60 120.342 120.342 123.188 -2.846 25443 10696 1 17 . 1 1 60 60 GLU HA H 60 3.839 3.839 4.471 -0.632 25443 10697 1 17 . 1 1 60 60 GLU C C 60 175.346 175.346 175.486 -0.140 25443 10698 1 17 . 1 1 60 60 GLU CA C 60 59.057 59.057 56.135 2.922 25443 10699 1 17 . 1 1 60 60 GLU CB C 60 30.653 30.653 30.317 0.336 25443 10700 1 17 . 1 1 60 60 GLU H H 60 8.845 8.845 8.737 0.108 25443 10701 1 17 . 1 1 61 61 ASP N N 61 116.193 116.193 124.302 -8.109 25443 10702 1 17 . 1 1 61 61 ASP HA H 61 4.915 4.915 4.627 0.288 25443 10703 1 17 . 1 1 61 61 ASP C C 61 176.659 176.659 175.449 1.210 25443 10704 1 17 . 1 1 61 61 ASP CA C 61 51.856 51.856 54.448 -2.592 25443 10705 1 17 . 1 1 61 61 ASP CB C 61 43.726 43.726 42.235 1.491 25443 10706 1 17 . 1 1 61 61 ASP H H 61 7.922 7.922 8.255 -0.333 25443 10707 1 17 . 1 1 62 62 GLN N N 62 125.812 125.812 122.515 3.297 25443 10708 1 17 . 1 1 62 62 GLN HA H 62 4.221 4.221 4.198 0.023 25443 10709 1 17 . 1 1 62 62 GLN C C 62 178.430 178.430 177.489 0.941 25443 10710 1 17 . 1 1 62 62 GLN CA C 62 58.449 58.449 58.463 -0.014 25443 10711 1 17 . 1 1 62 62 GLN CB C 62 28.076 28.076 29.023 -0.947 25443 10712 1 17 . 1 1 62 62 GLN H H 62 8.964 8.964 8.726 0.238 25443 10713 1 17 . 1 1 63 63 ARG N N 63 120.943 120.943 120.486 0.457 25443 10714 1 17 . 1 1 63 63 ARG HA H 63 3.979 3.979 4.207 -0.228 25443 10715 1 17 . 1 1 63 63 ARG C C 63 179.350 179.350 178.260 1.090 25443 10716 1 17 . 1 1 63 63 ARG CA C 63 59.398 59.398 57.875 1.523 25443 10717 1 17 . 1 1 63 63 ARG CB C 63 29.466 29.466 29.744 -0.278 25443 10718 1 17 . 1 1 63 63 ARG H H 63 8.965 8.965 8.190 0.775 25443 10719 1 17 . 1 1 64 64 SER N N 64 115.358 115.358 114.327 1.031 25443 10720 1 17 . 1 1 64 64 SER HA H 64 3.898 3.898 4.009 -0.111 25443 10721 1 17 . 1 1 64 64 SER C C 64 174.444 174.444 176.181 -1.737 25443 10722 1 17 . 1 1 64 64 SER CA C 64 62.459 62.459 62.212 0.247 25443 10723 1 17 . 1 1 64 64 SER CB C 64 62.040 62.040 62.573 -0.533 25443 10724 1 17 . 1 1 64 64 SER H H 64 8.065 8.065 9.277 -1.212 25443 10725 1 17 . 1 1 65 65 THR N N 65 113.614 113.614 115.609 -1.995 25443 10726 1 17 . 1 1 65 65 THR HA H 65 3.751 3.751 4.355 -0.604 25443 10727 1 17 . 1 1 65 65 THR C C 65 175.357 175.357 176.718 -1.361 25443 10728 1 17 . 1 1 65 65 THR CA C 65 66.292 66.292 65.604 0.688 25443 10729 1 17 . 1 1 65 65 THR CB C 65 68.457 68.457 68.757 -0.300 25443 10730 1 17 . 1 1 65 65 THR H H 65 7.484 7.484 7.722 -0.238 25443 10731 1 17 . 1 1 66 66 ILE N N 66 120.736 120.736 122.910 -2.174 25443 10732 1 17 . 1 1 66 66 ILE HA H 66 3.653 3.653 3.950 -0.297 25443 10733 1 17 . 1 1 66 66 ILE C C 66 177.518 177.518 178.078 -0.560 25443 10734 1 17 . 1 1 66 66 ILE CA C 66 64.014 64.014 64.741 -0.727 25443 10735 1 17 . 1 1 66 66 ILE CB C 66 42.194 42.194 37.578 4.616 25443 10736 1 17 . 1 1 66 66 ILE H H 66 6.976 6.976 7.418 -0.442 25443 10737 1 17 . 1 1 67 67 LEU N N 67 117.584 117.584 122.165 -4.581 25443 10738 1 17 . 1 1 67 67 LEU HA H 67 3.921 3.921 4.034 -0.113 25443 10739 1 17 . 1 1 67 67 LEU C C 67 179.650 179.650 178.564 1.086 25443 10740 1 17 . 1 1 67 67 LEU CA C 67 57.452 57.452 58.229 -0.777 25443 10741 1 17 . 1 1 67 67 LEU CB C 67 42.172 42.172 41.586 0.586 25443 10742 1 17 . 1 1 67 67 LEU H H 67 7.006 7.006 8.457 -1.451 25443 10743 1 17 . 1 1 68 68 ALA N N 68 121.025 121.025 119.497 1.528 25443 10744 1 17 . 1 1 68 68 ALA HA H 68 3.285 3.285 3.770 -0.485 25443 10745 1 17 . 1 1 68 68 ALA C C 68 179.216 179.216 179.777 -0.561 25443 10746 1 17 . 1 1 68 68 ALA CA C 68 55.564 55.564 54.958 0.606 25443 10747 1 17 . 1 1 68 68 ALA CB C 68 18.852 18.852 18.402 0.450 25443 10748 1 17 . 1 1 68 68 ALA H H 68 8.121 8.121 8.044 0.077 25443 10749 1 17 . 1 1 69 69 VAL N N 69 117.799 117.799 119.306 -1.507 25443 10750 1 17 . 1 1 69 69 VAL HA H 69 3.243 3.243 3.727 -0.484 25443 10751 1 17 . 1 1 69 69 VAL C C 69 178.541 178.541 178.075 0.466 25443 10752 1 17 . 1 1 69 69 VAL CA C 69 67.237 67.237 66.841 0.396 25443 10753 1 17 . 1 1 69 69 VAL CB C 69 31.679 31.679 31.500 0.179 25443 10754 1 17 . 1 1 69 69 VAL H H 69 8.012 8.012 7.743 0.269 25443 10755 1 17 . 1 1 70 70 ASP N N 70 117.013 117.013 118.149 -1.136 25443 10756 1 17 . 1 1 70 70 ASP HA H 70 4.339 4.339 4.407 -0.068 25443 10757 1 17 . 1 1 70 70 ASP C C 70 178.330 178.330 177.671 0.659 25443 10758 1 17 . 1 1 70 70 ASP CA C 70 57.131 57.131 56.803 0.328 25443 10759 1 17 . 1 1 70 70 ASP CB C 70 40.465 40.465 40.544 -0.079 25443 10760 1 17 . 1 1 70 70 ASP H H 70 8.216 8.216 8.610 -0.394 25443 10761 1 17 . 1 1 71 71 ASN N N 71 112.777 112.777 116.514 -3.737 25443 10762 1 17 . 1 1 71 71 ASN HA H 71 4.587 4.587 4.649 -0.062 25443 10763 1 17 . 1 1 71 71 ASN C C 71 176.314 176.314 176.325 -0.011 25443 10764 1 17 . 1 1 71 71 ASN CA C 71 55.474 55.474 54.698 0.776 25443 10765 1 17 . 1 1 71 71 ASN CB C 71 40.592 40.592 39.674 0.918 25443 10766 1 17 . 1 1 71 71 ASN H H 71 7.582 7.582 7.774 -0.192 25443 10767 1 17 . 1 1 72 72 LEU N N 72 116.551 116.551 116.619 -0.068 25443 10768 1 17 . 1 1 72 72 LEU HA H 72 4.494 4.494 4.375 0.119 25443 10769 1 17 . 1 1 72 72 LEU C C 72 177.500 177.500 177.327 0.173 25443 10770 1 17 . 1 1 72 72 LEU CA C 72 54.590 54.590 55.187 -0.597 25443 10771 1 17 . 1 1 72 72 LEU CB C 72 42.862 42.862 42.703 0.159 25443 10772 1 17 . 1 1 72 72 LEU H H 72 8.201 8.201 8.123 0.078 25443 10773 1 17 . 1 1 73 73 ASN N N 73 118.974 118.974 118.943 0.031 25443 10774 1 17 . 1 1 73 73 ASN HA H 73 4.392 4.392 4.745 -0.353 25443 10775 1 17 . 1 1 73 73 ASN C C 73 177.151 177.151 176.765 0.386 25443 10776 1 17 . 1 1 73 73 ASN CA C 73 56.276 56.276 55.171 1.105 25443 10777 1 17 . 1 1 73 73 ASN CB C 73 38.853 38.853 38.246 0.607 25443 10778 1 17 . 1 1 73 73 ASN H H 73 7.406 7.406 8.117 -0.711 25443 10779 1 17 . 1 1 74 74 GLY N N 74 116.478 116.478 114.907 1.571 25443 10780 1 17 . 1 1 74 74 GLY C C 74 172.756 172.756 173.818 -1.062 25443 10781 1 17 . 1 1 74 74 GLY CA C 74 45.662 45.662 45.135 0.527 25443 10782 1 17 . 1 1 74 74 GLY H H 74 9.106 9.106 9.043 0.063 25443 10783 1 17 . 1 1 75 75 PHE N N 75 123.853 123.853 122.115 1.738 25443 10784 1 17 . 1 1 75 75 PHE HA H 75 4.328 4.328 4.549 -0.221 25443 10785 1 17 . 1 1 75 75 PHE C C 75 175.065 175.065 174.745 0.320 25443 10786 1 17 . 1 1 75 75 PHE CA C 75 58.371 58.371 57.796 0.575 25443 10787 1 17 . 1 1 75 75 PHE CB C 75 40.947 40.947 41.009 -0.062 25443 10788 1 17 . 1 1 75 75 PHE H H 75 8.074 8.074 7.934 0.140 25443 10789 1 17 . 1 1 76 76 LYS N N 76 126.700 126.700 127.497 -0.797 25443 10790 1 17 . 1 1 76 76 LYS HA H 76 4.536 4.536 4.973 -0.437 25443 10791 1 17 . 1 1 76 76 LYS C C 76 175.395 175.395 175.520 -0.125 25443 10792 1 17 . 1 1 76 76 LYS CA C 76 56.227 56.227 55.101 1.126 25443 10793 1 17 . 1 1 76 76 LYS CB C 76 32.969 32.969 32.240 0.729 25443 10794 1 17 . 1 1 76 76 LYS H H 76 7.766 7.766 7.704 0.062 25443 10795 1 17 . 1 1 77 77 ILE N N 77 120.686 120.686 127.287 -6.601 25443 10796 1 17 . 1 1 77 77 ILE HA H 77 4.231 4.231 4.159 0.072 25443 10797 1 17 . 1 1 77 77 ILE C C 77 177.605 177.605 176.033 1.572 25443 10798 1 17 . 1 1 77 77 ILE CA C 77 59.981 59.981 60.768 -0.787 25443 10799 1 17 . 1 1 77 77 ILE CB C 77 40.409 40.409 39.642 0.767 25443 10800 1 17 . 1 1 77 77 ILE H H 77 8.005 8.005 8.926 -0.921 25443 10801 1 17 . 1 1 78 78 GLY N N 78 118.352 118.352 116.317 2.035 25443 10802 1 17 . 1 1 78 78 GLY C C 78 175.639 175.639 174.978 0.661 25443 10803 1 17 . 1 1 78 78 GLY CA C 78 47.227 47.227 44.931 2.296 25443 10804 1 17 . 1 1 78 78 GLY H H 78 9.800 9.800 8.998 0.802 25443 10805 1 17 . 1 1 79 79 GLY N N 79 104.167 104.167 105.573 -1.406 25443 10806 1 17 . 1 1 79 79 GLY C C 79 173.371 173.371 173.861 -0.490 25443 10807 1 17 . 1 1 79 79 GLY CA C 79 45.037 45.037 45.036 0.001 25443 10808 1 17 . 1 1 79 79 GLY H H 79 8.795 8.795 8.400 0.395 25443 10809 1 17 . 1 1 80 80 ARG N N 80 119.090 119.090 118.154 0.936 25443 10810 1 17 . 1 1 80 80 ARG HA H 80 4.590 4.590 4.579 0.011 25443 10811 1 17 . 1 1 80 80 ARG C C 80 174.563 174.563 173.967 0.596 25443 10812 1 17 . 1 1 80 80 ARG CA C 80 54.615 54.615 54.554 0.061 25443 10813 1 17 . 1 1 80 80 ARG CB C 80 33.487 33.487 33.541 -0.054 25443 10814 1 17 . 1 1 80 80 ARG H H 80 7.281 7.281 7.104 0.177 25443 10815 1 17 . 1 1 81 81 ALA N N 81 126.039 126.039 124.472 1.567 25443 10816 1 17 . 1 1 81 81 ALA HA H 81 4.216 4.216 5.395 -1.179 25443 10817 1 17 . 1 1 81 81 ALA C C 81 177.149 177.149 176.893 0.256 25443 10818 1 17 . 1 1 81 81 ALA CA C 81 51.081 51.081 50.372 0.709 25443 10819 1 17 . 1 1 81 81 ALA CB C 81 19.226 19.226 20.265 -1.039 25443 10820 1 17 . 1 1 81 81 ALA H H 81 8.651 8.651 8.449 0.202 25443 10821 1 17 . 1 1 82 82 LEU N N 82 125.451 125.451 123.664 1.787 25443 10822 1 17 . 1 1 82 82 LEU HA H 82 4.390 4.390 4.440 -0.050 25443 10823 1 17 . 1 1 82 82 LEU C C 82 177.498 177.498 176.493 1.005 25443 10824 1 17 . 1 1 82 82 LEU CA C 82 56.065 56.065 54.355 1.710 25443 10825 1 17 . 1 1 82 82 LEU CB C 82 43.267 43.267 42.691 0.576 25443 10826 1 17 . 1 1 82 82 LEU H H 82 8.805 8.805 8.807 -0.002 25443 10827 1 17 . 1 1 83 83 LYS N N 83 123.253 123.253 126.105 -2.852 25443 10828 1 17 . 1 1 83 83 LYS C C 83 174.892 174.892 174.995 -0.103 25443 10829 1 17 . 1 1 83 83 LYS CA C 83 54.892 54.892 55.514 -0.622 25443 10830 1 17 . 1 1 83 83 LYS H H 83 7.768 7.768 8.808 -1.040 25443 10831 1 17 . 1 1 84 84 ILE N N 84 125.577 125.577 125.376 0.201 25443 10832 1 17 . 1 1 84 84 ILE HA H 84 5.581 5.581 5.245 0.336 25443 10833 1 17 . 1 1 84 84 ILE C C 84 174.901 174.901 175.706 -0.805 25443 10834 1 17 . 1 1 84 84 ILE CA C 84 58.803 58.803 58.077 0.726 25443 10835 1 17 . 1 1 84 84 ILE CB C 84 40.306 40.306 38.233 2.073 25443 10836 1 17 . 1 1 84 84 ILE H H 84 8.616 8.616 8.461 0.155 25443 10837 1 17 . 1 1 85 85 ASP N N 85 125.373 125.373 126.610 -1.237 25443 10838 1 17 . 1 1 85 85 ASP HA H 85 4.909 4.909 5.085 -0.176 25443 10839 1 17 . 1 1 85 85 ASP C C 85 174.826 174.826 174.902 -0.076 25443 10840 1 17 . 1 1 85 85 ASP CA C 85 52.372 52.372 51.897 0.475 25443 10841 1 17 . 1 1 85 85 ASP CB C 85 45.290 45.290 44.720 0.570 25443 10842 1 17 . 1 1 85 85 ASP H H 85 8.907 8.907 8.943 -0.036 25443 10843 1 17 . 1 1 86 86 HIS N N 86 121.396 121.396 122.633 -1.237 25443 10844 1 17 . 1 1 86 86 HIS CA C 86 57.540 57.540 57.120 0.420 25443 10845 1 17 . 1 1 86 86 HIS CB C 86 30.985 30.985 30.259 0.726 25443 10846 1 17 . 1 1 86 86 HIS H H 86 8.970 8.970 8.931 0.039 25443 10847 1 17 . 1 1 87 87 THR N N 87 116.761 116.761 118.898 -2.137 25443 10848 1 17 . 1 1 87 87 THR HA H 87 4.652 4.652 4.638 0.014 25443 10849 1 17 . 1 1 87 87 THR C C 87 171.272 171.272 172.989 -1.717 25443 10850 1 17 . 1 1 87 87 THR CA C 87 60.710 60.710 60.892 -0.182 25443 10851 1 17 . 1 1 87 87 THR CB C 87 69.764 69.764 70.609 -0.845 25443 10852 1 17 . 1 1 87 87 THR H H 87 8.557 8.557 8.700 -0.143 25443 10853 1 17 . 1 1 88 88 PHE N N 88 120.343 120.343 126.010 -5.667 25443 10854 1 17 . 1 1 88 88 PHE HA H 88 5.273 5.273 4.849 0.424 25443 10855 1 17 . 1 1 88 88 PHE C C 88 174.288 174.288 173.222 1.066 25443 10856 1 17 . 1 1 88 88 PHE CA C 88 55.959 55.959 56.609 -0.650 25443 10857 1 17 . 1 1 88 88 PHE CB C 88 41.079 41.079 40.169 0.910 25443 10858 1 17 . 1 1 88 88 PHE H H 88 8.114 8.114 8.561 -0.447 25443 10859 1 17 . 1 1 89 89 TYR N N 89 123.043 123.043 128.462 -5.419 25443 10860 1 17 . 1 1 89 89 TYR HA H 89 4.026 4.026 4.148 -0.122 25443 10861 1 17 . 1 1 89 89 TYR C C 89 173.155 173.155 172.824 0.331 25443 10862 1 17 . 1 1 89 89 TYR CA C 89 57.493 57.493 56.564 0.929 25443 10863 1 17 . 1 1 89 89 TYR CB C 89 39.829 39.829 41.444 -1.615 25443 10864 1 17 . 1 1 89 89 TYR H H 89 8.176 8.176 7.661 0.515 25443 10865 1 17 . 1 1 90 90 ARG N N 90 129.004 129.004 125.696 3.308 25443 10866 1 17 . 1 1 90 90 ARG HA H 90 4.398 4.398 4.070 0.328 25443 10867 1 17 . 1 1 90 90 ARG CA C 90 51.548 51.548 51.962 -0.414 25443 10868 1 17 . 1 1 90 90 ARG CB C 90 30.882 30.882 30.628 0.254 25443 10869 1 17 . 1 1 90 90 ARG H H 90 7.078 7.078 7.491 -0.413 25443 10870 1 17 . 1 1 91 91 PRO HA H 91 4.155 4.155 4.098 0.057 25443 10871 1 17 . 1 1 91 91 PRO C C 91 176.340 176.340 176.309 0.031 25443 10872 1 17 . 1 1 91 91 PRO CA C 91 62.454 62.454 62.156 0.298 25443 10873 1 17 . 1 1 91 91 PRO CB C 91 33.072 33.072 31.492 1.580 25443 10874 1 17 . 1 1 92 92 LYS N N 92 119.682 119.682 123.366 -3.684 25443 10875 1 17 . 1 1 92 92 LYS CA C 92 54.711 54.711 55.823 -1.112 25443 10876 1 17 . 1 1 92 92 LYS H H 92 8.644 8.644 8.315 0.329 25443 10877 1 17 . 1 1 93 93 ARG C C 93 178.899 178.899 177.684 1.215 25443 10878 1 17 . 1 1 93 93 ARG CA C 93 59.125 59.125 58.737 0.388 25443 10879 1 17 . 1 1 94 94 SER N N 94 112.166 112.166 113.439 -1.273 25443 10880 1 17 . 1 1 94 94 SER HA H 94 4.176 4.176 4.358 -0.182 25443 10881 1 17 . 1 1 94 94 SER C C 94 175.776 175.776 175.181 0.595 25443 10882 1 17 . 1 1 94 94 SER CA C 94 60.031 60.031 60.310 -0.279 25443 10883 1 17 . 1 1 94 94 SER CB C 94 62.152 62.152 62.870 -0.718 25443 10884 1 17 . 1 1 94 94 SER H H 94 8.299 8.299 8.277 0.022 25443 10885 1 17 . 1 1 95 95 LEU N N 95 122.179 122.179 121.840 0.339 25443 10886 1 17 . 1 1 95 95 LEU HA H 95 4.651 4.651 4.807 -0.156 25443 10887 1 17 . 1 1 95 95 LEU C C 95 175.381 175.381 177.234 -1.853 25443 10888 1 17 . 1 1 95 95 LEU CA C 95 53.934 53.934 53.674 0.260 25443 10889 1 17 . 1 1 95 95 LEU CB C 95 41.861 41.861 41.821 0.040 25443 10890 1 17 . 1 1 95 95 LEU H H 95 7.159 7.159 7.568 -0.409 25443 10891 1 17 . 1 1 96 96 GLN N N 96 118.834 118.834 120.607 -1.773 25443 10892 1 17 . 1 1 96 96 GLN HA H 96 4.030 4.030 4.053 -0.023 25443 10893 1 17 . 1 1 96 96 GLN C C 96 177.751 177.751 177.611 0.140 25443 10894 1 17 . 1 1 96 96 GLN CA C 96 60.705 60.705 59.410 1.295 25443 10895 1 17 . 1 1 96 96 GLN CB C 96 28.822 28.822 28.338 0.484 25443 10896 1 17 . 1 1 96 96 GLN H H 96 7.329 7.329 7.679 -0.350 25443 10897 1 17 . 1 1 97 97 LYS N N 97 116.469 116.469 119.866 -3.397 25443 10898 1 17 . 1 1 97 97 LYS HA H 97 4.060 4.060 4.021 0.039 25443 10899 1 17 . 1 1 97 97 LYS C C 97 179.164 179.164 178.983 0.181 25443 10900 1 17 . 1 1 97 97 LYS CA C 97 59.430 59.430 59.032 0.398 25443 10901 1 17 . 1 1 97 97 LYS CB C 97 31.511 31.511 31.537 -0.026 25443 10902 1 17 . 1 1 97 97 LYS H H 97 8.614 8.614 8.368 0.246 25443 10903 1 17 . 1 1 98 98 TYR N N 98 124.165 124.165 121.127 3.038 25443 10904 1 17 . 1 1 98 98 TYR HA H 98 4.079 4.079 4.106 -0.027 25443 10905 1 17 . 1 1 98 98 TYR C C 98 177.316 177.316 177.901 -0.585 25443 10906 1 17 . 1 1 98 98 TYR CA C 98 62.205 62.205 61.859 0.346 25443 10907 1 17 . 1 1 98 98 TYR CB C 98 37.162 37.162 38.182 -1.020 25443 10908 1 17 . 1 1 98 98 TYR H H 98 7.585 7.585 7.691 -0.106 25443 10909 1 17 . 1 1 99 99 TYR N N 99 117.955 117.955 117.751 0.204 25443 10910 1 17 . 1 1 99 99 TYR HA H 99 5.078 5.078 3.931 1.147 25443 10911 1 17 . 1 1 99 99 TYR C C 99 180.957 180.957 178.629 2.328 25443 10912 1 17 . 1 1 99 99 TYR CA C 99 57.741 57.741 61.870 -4.130 25443 10913 1 17 . 1 1 99 99 TYR CB C 99 37.083 37.083 38.173 -1.090 25443 10914 1 17 . 1 1 99 99 TYR H H 99 8.660 8.660 8.261 0.399 25443 10915 1 17 . 1 1 100 100 GLU N N 100 118.796 118.796 118.101 0.695 25443 10916 1 17 . 1 1 100 100 GLU HA H 100 4.024 4.024 4.020 0.004 25443 10917 1 17 . 1 1 100 100 GLU C C 100 178.571 178.571 178.999 -0.428 25443 10918 1 17 . 1 1 100 100 GLU CA C 100 59.400 59.400 58.760 0.640 25443 10919 1 17 . 1 1 100 100 GLU CB C 100 29.660 29.660 28.876 0.784 25443 10920 1 17 . 1 1 100 100 GLU H H 100 8.263 8.263 8.667 -0.404 25443 10921 1 17 . 1 1 101 101 ALA N N 101 123.346 123.346 122.887 0.459 25443 10922 1 17 . 1 1 101 101 ALA HA H 101 4.244 4.244 4.042 0.202 25443 10923 1 17 . 1 1 101 101 ALA C C 101 181.331 181.331 179.470 1.861 25443 10924 1 17 . 1 1 101 101 ALA CA C 101 54.851 54.851 55.181 -0.330 25443 10925 1 17 . 1 1 101 101 ALA CB C 101 18.559 18.559 18.377 0.183 25443 10926 1 17 . 1 1 101 101 ALA H H 101 7.966 7.966 7.834 0.132 25443 10927 1 17 . 1 1 102 102 VAL N N 102 120.241 120.241 118.535 1.706 25443 10928 1 17 . 1 1 102 102 VAL HA H 102 3.713 3.713 3.355 0.358 25443 10929 1 17 . 1 1 102 102 VAL C C 102 176.967 176.967 177.651 -0.684 25443 10930 1 17 . 1 1 102 102 VAL CA C 102 67.433 67.433 66.510 0.923 25443 10931 1 17 . 1 1 102 102 VAL CB C 102 31.721 31.721 31.163 0.558 25443 10932 1 17 . 1 1 102 102 VAL H H 102 8.331 8.331 8.046 0.285 25443 10933 1 17 . 1 1 103 103 LYS N N 103 120.001 120.001 120.650 -0.649 25443 10934 1 17 . 1 1 103 103 LYS HA H 103 3.859 3.859 3.863 -0.004 25443 10935 1 17 . 1 1 103 103 LYS C C 103 178.500 178.500 178.587 -0.087 25443 10936 1 17 . 1 1 103 103 LYS CA C 103 59.652 59.652 60.238 -0.586 25443 10937 1 17 . 1 1 103 103 LYS CB C 103 32.040 32.040 32.434 -0.393 25443 10938 1 17 . 1 1 103 103 LYS H H 103 8.201 8.201 8.011 0.190 25443 10939 1 17 . 1 1 104 104 GLU N N 104 116.335 116.335 117.824 -1.489 25443 10940 1 17 . 1 1 104 104 GLU HA H 104 3.928 3.928 4.061 -0.133 25443 10941 1 17 . 1 1 104 104 GLU C C 104 178.645 178.645 179.212 -0.567 25443 10942 1 17 . 1 1 104 104 GLU CA C 104 59.110 59.110 59.054 0.056 25443 10943 1 17 . 1 1 104 104 GLU CB C 104 29.607 29.607 29.064 0.544 25443 10944 1 17 . 1 1 104 104 GLU H H 104 7.909 7.909 7.996 -0.087 25443 10945 1 17 . 1 1 105 105 GLU N N 105 119.210 119.210 119.960 -0.750 25443 10946 1 17 . 1 1 105 105 GLU HA H 105 3.844 3.844 4.113 -0.269 25443 10947 1 17 . 1 1 105 105 GLU C C 105 178.613 178.613 179.462 -0.849 25443 10948 1 17 . 1 1 105 105 GLU CA C 105 58.162 58.162 58.769 -0.607 25443 10949 1 17 . 1 1 105 105 GLU CB C 105 29.754 29.754 29.445 0.309 25443 10950 1 17 . 1 1 105 105 GLU H H 105 7.257 7.257 7.669 -0.412 25443 10951 1 17 . 1 1 106 106 LEU N N 106 117.408 117.408 119.489 -2.081 25443 10952 1 17 . 1 1 106 106 LEU HA H 106 3.976 3.976 4.161 -0.185 25443 10953 1 17 . 1 1 106 106 LEU C C 106 178.646 178.646 179.071 -0.425 25443 10954 1 17 . 1 1 106 106 LEU CA C 106 56.699 56.699 57.161 -0.462 25443 10955 1 17 . 1 1 106 106 LEU CB C 106 40.455 40.455 41.888 -1.433 25443 10956 1 17 . 1 1 106 106 LEU H H 106 8.169 8.169 7.931 0.238 25443 10957 1 17 . 1 1 107 107 ASP N N 107 119.073 119.073 120.101 -1.028 25443 10958 1 17 . 1 1 107 107 ASP HA H 107 4.521 4.521 4.261 0.260 25443 10959 1 17 . 1 1 107 107 ASP C C 107 177.069 177.069 177.555 -0.486 25443 10960 1 17 . 1 1 107 107 ASP CA C 107 55.099 55.099 57.288 -2.189 25443 10961 1 17 . 1 1 107 107 ASP CB C 107 40.670 40.670 40.861 -0.191 25443 10962 1 17 . 1 1 107 107 ASP H H 107 8.003 8.003 8.579 -0.576 25443 10963 1 17 . 1 1 108 108 ARG N N 108 120.705 120.705 118.615 2.090 25443 10964 1 17 . 1 1 108 108 ARG HA H 108 4.067 4.067 4.066 0.001 25443 10965 1 17 . 1 1 108 108 ARG C C 108 176.990 176.990 178.266 -1.276 25443 10966 1 17 . 1 1 108 108 ARG CA C 108 57.517 57.517 58.435 -0.918 25443 10967 1 17 . 1 1 108 108 ARG CB C 108 30.407 30.407 29.990 0.417 25443 10968 1 17 . 1 1 108 108 ARG H H 108 7.603 7.603 7.424 0.179 25443 10969 1 17 . 1 1 109 109 ASP N N 109 120.246 120.246 118.952 1.294 25443 10970 1 17 . 1 1 109 109 ASP HA H 109 4.521 4.521 4.494 0.027 25443 10971 1 17 . 1 1 109 109 ASP C C 109 176.630 176.630 177.996 -1.366 25443 10972 1 17 . 1 1 109 109 ASP CA C 109 55.028 55.028 56.727 -1.699 25443 10973 1 17 . 1 1 109 109 ASP CB C 109 40.936 40.936 41.087 -0.151 25443 10974 1 17 . 1 1 109 109 ASP H H 109 8.226 8.226 7.948 0.278 25443 10975 1 17 . 1 1 110 110 ILE N N 110 120.386 120.386 119.451 0.935 25443 10976 1 17 . 1 1 110 110 ILE HA H 110 3.987 3.987 3.871 0.116 25443 10977 1 17 . 1 1 110 110 ILE C C 110 176.996 176.996 177.848 -0.852 25443 10978 1 17 . 1 1 110 110 ILE CA C 110 62.241 62.241 63.742 -1.501 25443 10979 1 17 . 1 1 110 110 ILE CB C 110 38.359 38.359 38.326 0.033 25443 10980 1 17 . 1 1 110 110 ILE H H 110 7.863 7.863 7.383 0.480 25443 10981 1 17 . 1 1 111 111 VAL N N 111 122.548 122.548 118.397 4.151 25443 10982 1 17 . 1 1 111 111 VAL HA H 111 3.946 3.946 3.678 0.268 25443 10983 1 17 . 1 1 111 111 VAL C C 111 176.938 176.938 176.598 0.340 25443 10984 1 17 . 1 1 111 111 VAL CA C 111 63.499 63.499 65.197 -1.698 25443 10985 1 17 . 1 1 111 111 VAL CB C 111 32.223 32.223 31.835 0.388 25443 10986 1 17 . 1 1 111 111 VAL H H 111 8.016 8.016 7.951 0.065 25443 10987 1 17 . 1 1 112 112 SER N N 112 117.984 117.984 115.245 2.739 25443 10988 1 17 . 1 1 112 112 SER HA H 112 4.317 4.317 4.357 -0.040 25443 10989 1 17 . 1 1 112 112 SER C C 112 175.154 175.154 173.831 1.323 25443 10990 1 17 . 1 1 112 112 SER CA C 112 59.025 59.025 58.557 0.468 25443 10991 1 17 . 1 1 112 112 SER CB C 112 63.419 63.419 62.265 1.154 25443 10992 1 17 . 1 1 112 112 SER H H 112 8.187 8.187 7.703 0.484 25443 10993 1 17 . 1 1 113 113 LYS N N 113 122.727 122.727 123.411 -0.684 25443 10994 1 17 . 1 1 113 113 LYS HA H 113 4.209 4.209 3.958 0.251 25443 10995 1 17 . 1 1 113 113 LYS C C 113 176.713 176.713 174.999 1.714 25443 10996 1 17 . 1 1 113 113 LYS CA C 113 56.844 56.844 57.333 -0.488 25443 10997 1 17 . 1 1 113 113 LYS CB C 113 32.794 32.794 31.058 1.736 25443 10998 1 17 . 1 1 113 113 LYS H H 113 8.152 8.152 8.011 0.141 25443 10999 1 17 . 1 1 114 114 ASN N N 114 118.886 118.886 122.186 -3.300 25443 11000 1 17 . 1 1 114 114 ASN C C 114 175.227 175.227 176.071 -0.844 25443 11001 1 17 . 1 1 114 114 ASN CA C 114 53.549 53.549 52.502 1.047 25443 11002 1 17 . 1 1 114 114 ASN H H 114 8.261 8.261 8.732 -0.471 25443 11003 1 17 . 1 1 115 115 ASN N N 115 119.345 119.345 116.968 2.377 25443 11004 1 17 . 1 1 115 115 ASN C C 115 174.896 174.896 174.652 0.244 25443 11005 1 17 . 1 1 115 115 ASN CA C 115 53.476 53.476 55.197 -1.722 25443 11006 1 17 . 1 1 115 115 ASN H H 115 8.257 8.257 8.655 -0.398 25443 11007 1 17 . 1 1 116 116 ALA N N 116 123.669 123.669 126.925 -3.256 25443 11008 1 17 . 1 1 116 116 ALA HA H 116 4.254 4.254 4.263 -0.009 25443 11009 1 17 . 1 1 116 116 ALA C C 116 177.567 177.567 176.839 0.728 25443 11010 1 17 . 1 1 116 116 ALA CA C 116 52.678 52.678 52.916 -0.238 25443 11011 1 17 . 1 1 116 116 ALA CB C 116 19.243 19.243 18.945 0.298 25443 11012 1 17 . 1 1 116 116 ALA H H 116 8.094 8.094 8.015 0.079 25443 11013 1 17 . 1 1 117 117 GLU N N 117 120.083 120.083 121.735 -1.652 25443 11014 1 17 . 1 1 117 117 GLU C C 117 175.564 175.564 175.539 0.025 25443 11015 1 17 . 1 1 117 117 GLU CA C 117 56.602 56.602 55.639 0.963 25443 11016 1 17 . 1 1 117 117 GLU H H 117 8.221 8.221 8.428 -0.207 25443 11017 1 18 . 1 1 2 2 ALA HA H 2 4.286 4.286 4.062 0.224 25443 11018 1 18 . 1 1 2 2 ALA C C 2 177.853 177.853 178.147 -0.294 25443 11019 1 18 . 1 1 2 2 ALA CA C 2 52.661 52.661 52.483 0.178 25443 11020 1 18 . 1 1 2 2 ALA CB C 2 19.308 19.308 18.915 0.393 25443 11021 1 18 . 1 1 3 3 MET N N 3 119.404 119.404 119.491 -0.087 25443 11022 1 18 . 1 1 3 3 MET HA H 3 4.435 4.435 4.223 0.212 25443 11023 1 18 . 1 1 3 3 MET C C 3 176.731 176.731 177.506 -0.775 25443 11024 1 18 . 1 1 3 3 MET CA C 3 55.503 55.503 57.191 -1.688 25443 11025 1 18 . 1 1 3 3 MET CB C 3 32.795 32.795 32.479 0.316 25443 11026 1 18 . 1 1 3 3 MET H H 3 8.530 8.530 8.465 0.065 25443 11027 1 18 . 1 1 4 4 GLY N N 4 109.968 109.968 103.363 6.605 25443 11028 1 18 . 1 1 4 4 GLY C C 4 174.057 174.057 175.352 -1.295 25443 11029 1 18 . 1 1 4 4 GLY CA C 4 45.363 45.363 45.053 0.310 25443 11030 1 18 . 1 1 4 4 GLY H H 4 8.414 8.414 8.151 0.263 25443 11031 1 18 . 1 1 5 5 ASN N N 5 118.659 118.659 118.965 -0.306 25443 11032 1 18 . 1 1 5 5 ASN HA H 5 4.606 4.606 4.223 0.383 25443 11033 1 18 . 1 1 5 5 ASN C C 5 175.443 175.443 175.409 0.034 25443 11034 1 18 . 1 1 5 5 ASN CA C 5 53.530 53.530 54.482 -0.952 25443 11035 1 18 . 1 1 5 5 ASN CB C 5 38.876 38.876 38.047 0.829 25443 11036 1 18 . 1 1 5 5 ASN H H 5 8.326 8.326 8.597 -0.271 25443 11037 1 18 . 1 1 6 6 GLU N N 6 120.909 120.909 116.486 4.423 25443 11038 1 18 . 1 1 6 6 GLU HA H 6 4.097 4.097 4.353 -0.256 25443 11039 1 18 . 1 1 6 6 GLU C C 6 176.261 176.261 175.381 0.880 25443 11040 1 18 . 1 1 6 6 GLU CA C 6 57.171 57.171 55.718 1.453 25443 11041 1 18 . 1 1 6 6 GLU CB C 6 29.715 29.715 30.046 -0.331 25443 11042 1 18 . 1 1 6 6 GLU H H 6 8.633 8.633 7.765 0.868 25443 11043 1 18 . 1 1 7 7 TYR N N 7 120.283 120.283 116.627 3.656 25443 11044 1 18 . 1 1 7 7 TYR HA H 7 4.440 4.440 4.073 0.367 25443 11045 1 18 . 1 1 7 7 TYR C C 7 175.789 175.789 176.731 -0.942 25443 11046 1 18 . 1 1 7 7 TYR CA C 7 58.061 58.061 58.610 -0.549 25443 11047 1 18 . 1 1 7 7 TYR CB C 7 38.193 38.193 35.181 3.012 25443 11048 1 18 . 1 1 7 7 TYR H H 7 8.069 8.069 7.354 0.715 25443 11049 1 18 . 1 1 8 8 LYS N N 8 121.780 121.780 119.053 2.727 25443 11050 1 18 . 1 1 8 8 LYS HA H 8 4.107 4.107 3.993 0.114 25443 11051 1 18 . 1 1 8 8 LYS C C 8 175.970 175.970 178.456 -2.486 25443 11052 1 18 . 1 1 8 8 LYS CA C 8 56.550 56.550 58.992 -2.442 25443 11053 1 18 . 1 1 8 8 LYS CB C 8 33.141 33.141 31.964 1.177 25443 11054 1 18 . 1 1 8 8 LYS H H 8 7.868 7.868 8.170 -0.302 25443 11055 1 18 . 1 1 9 9 ASP N N 9 119.825 119.825 117.487 2.338 25443 11056 1 18 . 1 1 9 9 ASP HA H 9 4.577 4.577 4.452 0.125 25443 11057 1 18 . 1 1 9 9 ASP C C 9 175.979 175.979 176.697 -0.718 25443 11058 1 18 . 1 1 9 9 ASP CA C 9 54.608 54.608 56.395 -1.787 25443 11059 1 18 . 1 1 9 9 ASP CB C 9 41.455 41.455 40.577 0.878 25443 11060 1 18 . 1 1 9 9 ASP H H 9 8.164 8.164 8.718 -0.554 25443 11061 1 18 . 1 1 10 10 ASN N N 10 119.410 119.410 117.171 2.239 25443 11062 1 18 . 1 1 10 10 ASN HA H 10 4.935 4.935 4.967 -0.032 25443 11063 1 18 . 1 1 10 10 ASN C C 10 174.654 174.654 174.145 0.509 25443 11064 1 18 . 1 1 10 10 ASN CA C 10 52.792 52.792 53.101 -0.309 25443 11065 1 18 . 1 1 10 10 ASN CB C 10 38.554 38.554 39.164 -0.610 25443 11066 1 18 . 1 1 10 10 ASN H H 10 8.284 8.284 7.873 0.411 25443 11067 1 18 . 1 1 11 11 ALA N N 11 122.716 122.716 123.799 -1.083 25443 11068 1 18 . 1 1 11 11 ALA HA H 11 4.521 4.521 4.280 0.241 25443 11069 1 18 . 1 1 11 11 ALA CA C 11 53.148 53.148 52.345 0.803 25443 11070 1 18 . 1 1 11 11 ALA CB C 11 19.223 19.223 18.226 0.997 25443 11071 1 18 . 1 1 11 11 ALA H H 11 8.260 8.260 7.219 1.041 25443 11072 1 18 . 1 1 12 12 TYR HA H 12 4.943 4.943 5.683 -0.740 25443 11073 1 18 . 1 1 12 12 TYR C C 12 177.075 177.075 175.362 1.713 25443 11074 1 18 . 1 1 12 12 TYR CA C 12 57.314 57.314 56.178 1.136 25443 11075 1 18 . 1 1 12 12 TYR CB C 12 42.614 42.614 43.294 -0.680 25443 11076 1 18 . 1 1 13 13 ILE N N 13 114.211 114.211 116.480 -2.269 25443 11077 1 18 . 1 1 13 13 ILE HA H 13 4.981 4.981 5.152 -0.171 25443 11078 1 18 . 1 1 13 13 ILE C C 13 174.500 174.500 173.942 0.558 25443 11079 1 18 . 1 1 13 13 ILE CA C 13 60.380 60.380 59.182 1.198 25443 11080 1 18 . 1 1 13 13 ILE CB C 13 39.792 39.792 41.726 -1.934 25443 11081 1 18 . 1 1 13 13 ILE H H 13 9.358 9.358 8.695 0.663 25443 11082 1 18 . 1 1 14 14 TYR N N 14 124.891 124.891 127.161 -2.270 25443 11083 1 18 . 1 1 14 14 TYR HA H 14 4.579 4.579 4.929 -0.350 25443 11084 1 18 . 1 1 14 14 TYR C C 14 173.192 173.192 174.144 -0.952 25443 11085 1 18 . 1 1 14 14 TYR CA C 14 56.202 56.202 56.252 -0.050 25443 11086 1 18 . 1 1 14 14 TYR CB C 14 40.163 40.163 40.130 0.033 25443 11087 1 18 . 1 1 14 14 TYR H H 14 9.163 9.163 8.938 0.225 25443 11088 1 18 . 1 1 15 15 ILE N N 15 127.801 127.801 127.427 0.374 25443 11089 1 18 . 1 1 15 15 ILE HA H 15 4.210 4.210 5.041 -0.831 25443 11090 1 18 . 1 1 15 15 ILE C C 15 173.823 173.823 175.933 -2.110 25443 11091 1 18 . 1 1 15 15 ILE CA C 15 59.616 59.616 59.342 0.274 25443 11092 1 18 . 1 1 15 15 ILE CB C 15 39.735 39.735 40.336 -0.601 25443 11093 1 18 . 1 1 15 15 ILE H H 15 8.569 8.569 8.428 0.141 25443 11094 1 18 . 1 1 16 16 GLY N N 16 112.441 112.441 112.402 0.039 25443 11095 1 18 . 1 1 16 16 GLY C C 16 173.159 173.159 173.679 -0.520 25443 11096 1 18 . 1 1 16 16 GLY CA C 16 43.244 43.244 43.447 -0.203 25443 11097 1 18 . 1 1 16 16 GLY H H 16 9.354 9.354 7.961 1.393 25443 11098 1 18 . 1 1 17 17 ASN N N 17 114.797 114.797 119.791 -4.994 25443 11099 1 18 . 1 1 17 17 ASN HA H 17 4.347 4.347 4.700 -0.353 25443 11100 1 18 . 1 1 17 17 ASN C C 17 174.834 174.834 175.313 -0.479 25443 11101 1 18 . 1 1 17 17 ASN CA C 17 53.214 53.214 54.148 -0.934 25443 11102 1 18 . 1 1 17 17 ASN CB C 17 37.826 37.826 38.436 -0.610 25443 11103 1 18 . 1 1 17 17 ASN H H 17 8.552 8.552 8.660 -0.108 25443 11104 1 18 . 1 1 18 18 LEU N N 18 114.526 114.526 125.626 -11.100 25443 11105 1 18 . 1 1 18 18 LEU HA H 18 3.994 3.994 4.509 -0.515 25443 11106 1 18 . 1 1 18 18 LEU C C 18 177.948 177.948 176.015 1.933 25443 11107 1 18 . 1 1 18 18 LEU CA C 18 53.772 53.772 53.621 0.151 25443 11108 1 18 . 1 1 18 18 LEU CB C 18 42.385 42.385 43.856 -1.471 25443 11109 1 18 . 1 1 18 18 LEU H H 18 7.743 7.743 8.234 -0.491 25443 11110 1 18 . 1 1 19 19 ASN N N 19 122.718 122.718 117.476 5.242 25443 11111 1 18 . 1 1 19 19 ASN HA H 19 4.302 4.302 4.607 -0.305 25443 11112 1 18 . 1 1 19 19 ASN C C 19 178.040 178.040 177.027 1.013 25443 11113 1 18 . 1 1 19 19 ASN CA C 19 54.421 54.421 52.866 1.555 25443 11114 1 18 . 1 1 19 19 ASN CB C 19 38.580 38.580 39.534 -0.954 25443 11115 1 18 . 1 1 19 19 ASN H H 19 8.758 8.758 8.691 0.067 25443 11116 1 18 . 1 1 20 20 ARG N N 20 128.821 128.821 124.304 4.517 25443 11117 1 18 . 1 1 20 20 ARG HA H 20 3.790 3.790 4.024 -0.234 25443 11118 1 18 . 1 1 20 20 ARG C C 20 175.566 175.566 177.611 -2.045 25443 11119 1 18 . 1 1 20 20 ARG CA C 20 58.775 58.775 58.686 0.089 25443 11120 1 18 . 1 1 20 20 ARG CB C 20 29.642 29.642 30.008 -0.366 25443 11121 1 18 . 1 1 20 20 ARG H H 20 8.997 8.997 8.797 0.200 25443 11122 1 18 . 1 1 21 21 GLU N N 21 117.438 117.438 117.285 0.153 25443 11123 1 18 . 1 1 21 21 GLU HA H 21 4.214 4.214 4.284 -0.070 25443 11124 1 18 . 1 1 21 21 GLU C C 21 177.076 177.076 176.611 0.465 25443 11125 1 18 . 1 1 21 21 GLU CA C 21 56.677 56.677 55.834 0.843 25443 11126 1 18 . 1 1 21 21 GLU CB C 21 30.451 30.451 29.547 0.904 25443 11127 1 18 . 1 1 21 21 GLU H H 21 9.043 9.043 8.020 1.023 25443 11128 1 18 . 1 1 22 22 LEU N N 22 116.311 116.311 122.821 -6.510 25443 11129 1 18 . 1 1 22 22 LEU HA H 22 4.491 4.491 4.381 0.110 25443 11130 1 18 . 1 1 22 22 LEU C C 22 178.389 178.389 176.093 2.296 25443 11131 1 18 . 1 1 22 22 LEU CA C 22 55.496 55.496 54.595 0.901 25443 11132 1 18 . 1 1 22 22 LEU CB C 22 42.148 42.148 41.745 0.403 25443 11133 1 18 . 1 1 22 22 LEU H H 22 7.183 7.183 7.580 -0.397 25443 11134 1 18 . 1 1 23 23 THR N N 23 113.850 113.850 114.719 -0.869 25443 11135 1 18 . 1 1 23 23 THR HA H 23 4.289 4.289 4.611 -0.322 25443 11136 1 18 . 1 1 23 23 THR C C 23 175.229 175.229 175.454 -0.225 25443 11137 1 18 . 1 1 23 23 THR CA C 23 59.895 59.895 59.719 0.175 25443 11138 1 18 . 1 1 23 23 THR CB C 23 71.989 71.989 71.493 0.496 25443 11139 1 18 . 1 1 23 23 THR H H 23 8.743 8.743 7.801 0.942 25443 11140 1 18 . 1 1 24 24 GLU N N 24 119.724 119.724 121.550 -1.826 25443 11141 1 18 . 1 1 24 24 GLU HA H 24 3.591 3.591 4.169 -0.578 25443 11142 1 18 . 1 1 24 24 GLU C C 24 178.597 178.597 178.614 -0.017 25443 11143 1 18 . 1 1 24 24 GLU CA C 24 63.490 63.490 59.094 4.396 25443 11144 1 18 . 1 1 24 24 GLU CB C 24 27.433 27.433 28.691 -1.258 25443 11145 1 18 . 1 1 24 24 GLU H H 24 9.641 9.641 9.073 0.568 25443 11146 1 18 . 1 1 25 25 GLY N N 25 104.430 104.430 108.621 -4.191 25443 11147 1 18 . 1 1 25 25 GLY C C 25 175.425 175.425 176.146 -0.721 25443 11148 1 18 . 1 1 25 25 GLY CA C 25 47.334 47.334 46.824 0.510 25443 11149 1 18 . 1 1 25 25 GLY H H 25 8.423 8.423 8.516 -0.093 25443 11150 1 18 . 1 1 26 26 ASP N N 26 123.128 123.128 122.445 0.683 25443 11151 1 18 . 1 1 26 26 ASP HA H 26 4.530 4.530 4.541 -0.011 25443 11152 1 18 . 1 1 26 26 ASP C C 26 177.878 177.878 178.213 -0.335 25443 11153 1 18 . 1 1 26 26 ASP CA C 26 57.429 57.429 56.397 1.032 25443 11154 1 18 . 1 1 26 26 ASP CB C 26 41.612 41.612 40.892 0.720 25443 11155 1 18 . 1 1 26 26 ASP H H 26 7.859 7.859 7.655 0.204 25443 11156 1 18 . 1 1 27 27 ILE N N 27 118.864 118.864 120.632 -1.768 25443 11157 1 18 . 1 1 27 27 ILE HA H 27 3.534 3.534 3.718 -0.184 25443 11158 1 18 . 1 1 27 27 ILE C C 27 178.225 178.225 178.013 0.212 25443 11159 1 18 . 1 1 27 27 ILE CA C 27 65.627 65.627 65.146 0.481 25443 11160 1 18 . 1 1 27 27 ILE CB C 27 37.614 37.614 38.040 -0.426 25443 11161 1 18 . 1 1 27 27 ILE H H 27 8.055 8.055 7.822 0.233 25443 11162 1 18 . 1 1 28 28 LEU N N 28 119.416 119.416 120.814 -1.398 25443 11163 1 18 . 1 1 28 28 LEU HA H 28 3.861 3.861 4.173 -0.312 25443 11164 1 18 . 1 1 28 28 LEU C C 28 179.884 179.884 178.872 1.012 25443 11165 1 18 . 1 1 28 28 LEU CA C 28 58.758 58.758 58.641 0.117 25443 11166 1 18 . 1 1 28 28 LEU CB C 28 41.137 41.137 41.505 -0.368 25443 11167 1 18 . 1 1 28 28 LEU H H 28 8.423 8.423 8.444 -0.021 25443 11168 1 18 . 1 1 29 29 THR N N 29 119.586 119.586 116.377 3.209 25443 11169 1 18 . 1 1 29 29 THR HA H 29 3.790 3.790 3.894 -0.104 25443 11170 1 18 . 1 1 29 29 THR C C 29 176.530 176.530 176.887 -0.357 25443 11171 1 18 . 1 1 29 29 THR CA C 29 67.322 67.322 66.978 0.344 25443 11172 1 18 . 1 1 29 29 THR CB C 29 68.372 68.372 68.436 -0.064 25443 11173 1 18 . 1 1 29 29 THR H H 29 8.552 8.552 7.739 0.813 25443 11174 1 18 . 1 1 30 30 VAL N N 30 119.948 119.948 120.742 -0.794 25443 11175 1 18 . 1 1 30 30 VAL HA H 30 3.601 3.601 3.408 0.193 25443 11176 1 18 . 1 1 30 30 VAL C C 30 178.670 178.670 178.266 0.404 25443 11177 1 18 . 1 1 30 30 VAL CA C 30 66.081 66.081 66.178 -0.097 25443 11178 1 18 . 1 1 30 30 VAL CB C 30 32.993 32.993 31.339 1.654 25443 11179 1 18 . 1 1 30 30 VAL H H 30 7.959 7.959 7.978 -0.019 25443 11180 1 18 . 1 1 31 31 PHE N N 31 113.636 113.636 118.313 -4.677 25443 11181 1 18 . 1 1 31 31 PHE HA H 31 4.006 4.006 4.494 -0.488 25443 11182 1 18 . 1 1 31 31 PHE C C 31 180.133 180.133 177.080 3.053 25443 11183 1 18 . 1 1 31 31 PHE CA C 31 62.266 62.266 60.654 1.612 25443 11184 1 18 . 1 1 31 31 PHE CB C 31 37.711 37.711 38.293 -0.582 25443 11185 1 18 . 1 1 31 31 PHE H H 31 8.726 8.726 7.874 0.852 25443 11186 1 18 . 1 1 32 32 SER N N 32 119.746 119.746 114.568 5.178 25443 11187 1 18 . 1 1 32 32 SER HA H 32 5.107 5.107 4.264 0.843 25443 11188 1 18 . 1 1 32 32 SER C C 32 173.450 173.450 175.642 -2.192 25443 11189 1 18 . 1 1 32 32 SER CA C 32 61.440 61.440 61.278 0.162 25443 11190 1 18 . 1 1 32 32 SER CB C 32 62.690 62.690 62.591 0.099 25443 11191 1 18 . 1 1 32 32 SER H H 32 8.564 8.564 8.259 0.305 25443 11192 1 18 . 1 1 33 33 GLU N N 33 118.689 118.689 120.834 -2.145 25443 11193 1 18 . 1 1 33 33 GLU HA H 33 3.854 3.854 4.042 -0.188 25443 11194 1 18 . 1 1 33 33 GLU C C 33 176.471 176.471 177.466 -0.995 25443 11195 1 18 . 1 1 33 33 GLU CA C 33 57.997 57.997 58.114 -0.117 25443 11196 1 18 . 1 1 33 33 GLU CB C 33 29.503 29.503 29.228 0.275 25443 11197 1 18 . 1 1 33 33 GLU H H 33 6.733 6.733 7.405 -0.672 25443 11198 1 18 . 1 1 34 34 TYR N N 34 111.313 111.313 117.933 -6.620 25443 11199 1 18 . 1 1 34 34 TYR HA H 34 4.469 4.469 4.531 -0.062 25443 11200 1 18 . 1 1 34 34 TYR C C 34 174.351 174.351 176.371 -2.020 25443 11201 1 18 . 1 1 34 34 TYR CA C 34 57.940 57.940 58.457 -0.517 25443 11202 1 18 . 1 1 34 34 TYR CB C 34 39.557 39.557 38.468 1.089 25443 11203 1 18 . 1 1 34 34 TYR H H 34 6.662 6.662 7.330 -0.668 25443 11204 1 18 . 1 1 35 35 GLY N N 35 106.055 106.055 107.378 -1.323 25443 11205 1 18 . 1 1 35 35 GLY C C 35 170.709 170.709 174.365 -3.656 25443 11206 1 18 . 1 1 35 35 GLY CA C 35 45.230 45.230 45.278 -0.048 25443 11207 1 18 . 1 1 35 35 GLY H H 35 7.302 7.302 7.542 -0.240 25443 11208 1 18 . 1 1 36 36 VAL N N 36 121.596 121.596 116.756 4.840 25443 11209 1 18 . 1 1 36 36 VAL HA H 36 4.492 4.492 4.613 -0.121 25443 11210 1 18 . 1 1 36 36 VAL CA C 36 59.912 59.912 58.534 1.378 25443 11211 1 18 . 1 1 36 36 VAL CB C 36 33.632 33.632 32.502 1.130 25443 11212 1 18 . 1 1 36 36 VAL H H 36 8.595 8.595 7.587 1.008 25443 11213 1 18 . 1 1 37 37 PRO HA H 37 4.499 4.499 4.708 -0.209 25443 11214 1 18 . 1 1 37 37 PRO C C 37 176.150 176.150 176.339 -0.189 25443 11215 1 18 . 1 1 37 37 PRO CA C 37 62.320 62.320 62.539 -0.219 25443 11216 1 18 . 1 1 37 37 PRO CB C 37 31.945 31.945 30.884 1.060 25443 11217 1 18 . 1 1 38 38 VAL N N 38 114.135 114.135 120.808 -6.673 25443 11218 1 18 . 1 1 38 38 VAL HA H 38 4.436 4.436 4.479 -0.043 25443 11219 1 18 . 1 1 38 38 VAL C C 38 175.124 175.124 175.310 -0.186 25443 11220 1 18 . 1 1 38 38 VAL CA C 38 60.488 60.488 59.001 1.487 25443 11221 1 18 . 1 1 38 38 VAL CB C 38 32.560 32.560 33.919 -1.359 25443 11222 1 18 . 1 1 38 38 VAL H H 38 9.006 9.006 7.666 1.340 25443 11223 1 18 . 1 1 39 39 ASP N N 39 118.095 118.095 122.352 -4.257 25443 11224 1 18 . 1 1 39 39 ASP HA H 39 4.626 4.626 4.620 0.006 25443 11225 1 18 . 1 1 39 39 ASP C C 39 174.577 174.577 174.847 -0.270 25443 11226 1 18 . 1 1 39 39 ASP CA C 39 54.706 54.706 55.137 -0.431 25443 11227 1 18 . 1 1 39 39 ASP CB C 39 43.495 43.495 41.150 2.345 25443 11228 1 18 . 1 1 39 39 ASP H H 39 7.454 7.454 8.159 -0.705 25443 11229 1 18 . 1 1 40 40 VAL N N 40 121.566 121.566 123.330 -1.764 25443 11230 1 18 . 1 1 40 40 VAL HA H 40 4.897 4.897 4.486 0.411 25443 11231 1 18 . 1 1 40 40 VAL C C 40 170.928 170.928 174.492 -3.564 25443 11232 1 18 . 1 1 40 40 VAL CA C 40 60.729 60.729 60.293 0.436 25443 11233 1 18 . 1 1 40 40 VAL CB C 40 34.373 34.373 33.851 0.522 25443 11234 1 18 . 1 1 40 40 VAL H H 40 7.576 7.576 8.227 -0.651 25443 11235 1 18 . 1 1 41 41 ILE N N 41 125.247 125.247 129.822 -4.575 25443 11236 1 18 . 1 1 41 41 ILE HA H 41 4.752 4.752 4.306 0.446 25443 11237 1 18 . 1 1 41 41 ILE C C 41 175.440 175.440 174.158 1.282 25443 11238 1 18 . 1 1 41 41 ILE CA C 41 61.609 61.609 59.812 1.797 25443 11239 1 18 . 1 1 41 41 ILE H H 41 8.929 8.929 9.078 -0.149 25443 11240 1 18 . 1 1 42 42 LEU N N 42 128.791 128.791 129.337 -0.546 25443 11241 1 18 . 1 1 42 42 LEU HA H 42 4.387 4.387 4.832 -0.445 25443 11242 1 18 . 1 1 42 42 LEU C C 42 174.979 174.979 176.791 -1.812 25443 11243 1 18 . 1 1 42 42 LEU CA C 42 53.345 53.345 54.230 -0.885 25443 11244 1 18 . 1 1 42 42 LEU CB C 42 43.298 43.298 43.771 -0.473 25443 11245 1 18 . 1 1 42 42 LEU H H 42 8.309 8.309 7.877 0.432 25443 11246 1 18 . 1 1 43 43 SER N N 43 122.753 122.753 123.378 -0.625 25443 11247 1 18 . 1 1 43 43 SER HA H 43 3.821 3.821 4.472 -0.651 25443 11248 1 18 . 1 1 43 43 SER C C 43 173.870 173.870 173.481 0.389 25443 11249 1 18 . 1 1 43 43 SER CA C 43 59.707 59.707 59.055 0.652 25443 11250 1 18 . 1 1 43 43 SER CB C 43 62.714 62.714 62.557 0.157 25443 11251 1 18 . 1 1 43 43 SER H H 43 8.317 8.317 9.087 -0.770 25443 11252 1 18 . 1 1 44 44 ARG N N 44 128.068 128.068 124.529 3.539 25443 11253 1 18 . 1 1 44 44 ARG HA H 44 4.763 4.763 5.292 -0.529 25443 11254 1 18 . 1 1 44 44 ARG C C 44 175.094 175.094 175.460 -0.366 25443 11255 1 18 . 1 1 44 44 ARG CA C 44 54.100 54.100 54.275 -0.175 25443 11256 1 18 . 1 1 44 44 ARG CB C 44 34.218 34.218 34.598 -0.380 25443 11257 1 18 . 1 1 44 44 ARG H H 44 8.152 8.152 7.786 0.366 25443 11258 1 18 . 1 1 45 45 ASP N N 45 123.595 123.595 121.756 1.839 25443 11259 1 18 . 1 1 45 45 ASP HA H 45 4.172 4.172 4.705 -0.533 25443 11260 1 18 . 1 1 45 45 ASP C C 45 177.467 177.467 176.836 0.631 25443 11261 1 18 . 1 1 45 45 ASP CA C 45 54.898 54.898 53.113 1.785 25443 11262 1 18 . 1 1 45 45 ASP CB C 45 43.568 43.568 42.792 0.776 25443 11263 1 18 . 1 1 45 45 ASP H H 45 8.628 8.628 8.324 0.304 25443 11264 1 18 . 1 1 46 46 GLU N N 46 125.161 125.161 120.892 4.269 25443 11265 1 18 . 1 1 46 46 GLU HA H 46 3.843 3.843 4.266 -0.423 25443 11266 1 18 . 1 1 46 46 GLU C C 46 175.690 175.690 176.787 -1.097 25443 11267 1 18 . 1 1 46 46 GLU CA C 46 58.861 58.861 58.306 0.555 25443 11268 1 18 . 1 1 46 46 GLU CB C 46 29.636 29.636 29.381 0.255 25443 11269 1 18 . 1 1 46 46 GLU H H 46 9.013 9.013 8.960 0.053 25443 11270 1 18 . 1 1 47 47 ASN N N 47 115.135 115.135 117.371 -2.236 25443 11271 1 18 . 1 1 47 47 ASN HA H 47 4.842 4.842 4.730 0.112 25443 11272 1 18 . 1 1 47 47 ASN C C 47 176.655 176.655 176.781 -0.126 25443 11273 1 18 . 1 1 47 47 ASN CA C 47 54.897 54.897 55.372 -0.475 25443 11274 1 18 . 1 1 47 47 ASN CB C 47 40.141 40.141 39.031 1.110 25443 11275 1 18 . 1 1 47 47 ASN H H 47 8.926 8.926 7.998 0.928 25443 11276 1 18 . 1 1 48 48 THR N N 48 107.544 107.544 111.708 -4.164 25443 11277 1 18 . 1 1 48 48 THR HA H 48 4.400 4.400 4.585 -0.185 25443 11278 1 18 . 1 1 48 48 THR C C 48 176.484 176.484 174.869 1.615 25443 11279 1 18 . 1 1 48 48 THR CA C 48 61.513 61.513 62.369 -0.856 25443 11280 1 18 . 1 1 48 48 THR CB C 48 71.189 71.189 69.999 1.191 25443 11281 1 18 . 1 1 48 48 THR H H 48 8.455 8.455 8.863 -0.408 25443 11282 1 18 . 1 1 49 49 GLY N N 49 111.753 111.753 111.046 0.707 25443 11283 1 18 . 1 1 49 49 GLY C C 49 173.167 173.167 173.544 -0.377 25443 11284 1 18 . 1 1 49 49 GLY CA C 49 45.628 45.628 44.788 0.840 25443 11285 1 18 . 1 1 49 49 GLY H H 49 8.607 8.607 7.942 0.665 25443 11286 1 18 . 1 1 50 50 GLU N N 50 119.978 119.978 118.899 1.079 25443 11287 1 18 . 1 1 50 50 GLU HA H 50 4.071 4.071 4.704 -0.633 25443 11288 1 18 . 1 1 50 50 GLU C C 50 176.629 176.629 175.442 1.187 25443 11289 1 18 . 1 1 50 50 GLU CA C 50 56.500 56.500 53.587 2.913 25443 11290 1 18 . 1 1 50 50 GLU CB C 50 30.927 30.927 32.458 -1.531 25443 11291 1 18 . 1 1 50 50 GLU H H 50 7.796 7.796 9.151 -1.355 25443 11292 1 18 . 1 1 51 51 SER N N 51 115.672 115.672 115.272 0.400 25443 11293 1 18 . 1 1 51 51 SER HA H 51 4.205 4.205 4.439 -0.234 25443 11294 1 18 . 1 1 51 51 SER C C 51 176.532 176.532 175.088 1.444 25443 11295 1 18 . 1 1 51 51 SER CA C 51 58.320 58.320 58.060 0.260 25443 11296 1 18 . 1 1 51 51 SER CB C 51 64.596 64.596 62.561 2.035 25443 11297 1 18 . 1 1 51 51 SER H H 51 8.889 8.889 8.721 0.168 25443 11298 1 18 . 1 1 52 52 GLN N N 52 123.139 123.139 124.646 -1.507 25443 11299 1 18 . 1 1 52 52 GLN HA H 52 4.421 4.421 4.031 0.390 25443 11300 1 18 . 1 1 52 52 GLN C C 52 177.396 177.396 176.350 1.046 25443 11301 1 18 . 1 1 52 52 GLN CA C 52 55.051 55.051 57.623 -2.572 25443 11302 1 18 . 1 1 52 52 GLN CB C 52 29.874 29.874 29.289 0.585 25443 11303 1 18 . 1 1 52 52 GLN H H 52 9.078 9.078 8.355 0.723 25443 11304 1 18 . 1 1 53 53 GLY N N 53 105.904 105.904 105.292 0.612 25443 11305 1 18 . 1 1 53 53 GLY C C 53 172.046 172.046 172.799 -0.753 25443 11306 1 18 . 1 1 53 53 GLY CA C 53 46.550 46.550 44.351 2.199 25443 11307 1 18 . 1 1 53 53 GLY H H 53 8.851 8.851 7.570 1.281 25443 11308 1 18 . 1 1 54 54 PHE N N 54 111.888 111.888 118.043 -6.155 25443 11309 1 18 . 1 1 54 54 PHE HA H 54 5.253 5.253 4.822 0.431 25443 11310 1 18 . 1 1 54 54 PHE C C 54 171.570 171.570 173.442 -1.872 25443 11311 1 18 . 1 1 54 54 PHE CA C 54 55.592 55.592 55.227 0.365 25443 11312 1 18 . 1 1 54 54 PHE CB C 54 40.806 40.806 42.690 -1.884 25443 11313 1 18 . 1 1 54 54 PHE H H 54 6.827 6.827 7.239 -0.412 25443 11314 1 18 . 1 1 55 55 ALA N N 55 121.888 121.888 121.071 0.817 25443 11315 1 18 . 1 1 55 55 ALA HA H 55 5.032 5.032 5.116 -0.084 25443 11316 1 18 . 1 1 55 55 ALA C C 55 172.957 172.957 174.854 -1.897 25443 11317 1 18 . 1 1 55 55 ALA CA C 55 49.477 49.477 51.134 -1.657 25443 11318 1 18 . 1 1 55 55 ALA H H 55 8.927 8.927 8.311 0.616 25443 11319 1 18 . 1 1 56 56 TYR N N 56 115.049 115.049 121.004 -5.955 25443 11320 1 18 . 1 1 56 56 TYR HA H 56 5.602 5.602 5.704 -0.102 25443 11321 1 18 . 1 1 56 56 TYR C C 56 175.162 175.162 174.395 0.767 25443 11322 1 18 . 1 1 56 56 TYR CA C 56 55.444 55.444 56.689 -1.245 25443 11323 1 18 . 1 1 56 56 TYR CB C 56 42.189 42.189 41.197 0.993 25443 11324 1 18 . 1 1 56 56 TYR H H 56 9.020 9.020 9.257 -0.237 25443 11325 1 18 . 1 1 57 57 LEU N N 57 122.745 122.745 124.919 -2.174 25443 11326 1 18 . 1 1 57 57 LEU HA H 57 4.713 4.713 5.122 -0.409 25443 11327 1 18 . 1 1 57 57 LEU C C 57 172.371 172.371 174.486 -2.115 25443 11328 1 18 . 1 1 57 57 LEU CA C 57 54.712 54.712 53.512 1.200 25443 11329 1 18 . 1 1 57 57 LEU CB C 57 46.754 46.754 46.002 0.752 25443 11330 1 18 . 1 1 57 57 LEU H H 57 8.706 8.706 8.638 0.068 25443 11331 1 18 . 1 1 58 58 LYS N N 58 125.469 125.469 126.373 -0.904 25443 11332 1 18 . 1 1 58 58 LYS HA H 58 4.467 4.467 4.677 -0.210 25443 11333 1 18 . 1 1 58 58 LYS C C 58 175.152 175.152 174.165 0.987 25443 11334 1 18 . 1 1 58 58 LYS CA C 58 54.494 54.494 53.647 0.847 25443 11335 1 18 . 1 1 58 58 LYS CB C 58 36.479 36.479 34.163 2.316 25443 11336 1 18 . 1 1 58 58 LYS H H 58 7.948 7.948 8.800 -0.852 25443 11337 1 18 . 1 1 59 59 TYR N N 59 126.261 126.261 123.813 2.448 25443 11338 1 18 . 1 1 59 59 TYR HA H 59 5.003 5.003 4.811 0.192 25443 11339 1 18 . 1 1 59 59 TYR C C 59 176.020 176.020 173.964 2.056 25443 11340 1 18 . 1 1 59 59 TYR CA C 59 57.992 57.992 55.138 2.854 25443 11341 1 18 . 1 1 59 59 TYR CB C 59 41.715 41.715 40.587 1.128 25443 11342 1 18 . 1 1 59 59 TYR H H 59 8.957 8.957 7.262 1.695 25443 11343 1 18 . 1 1 60 60 GLU N N 60 120.342 120.342 122.540 -2.198 25443 11344 1 18 . 1 1 60 60 GLU HA H 60 3.839 3.839 4.381 -0.542 25443 11345 1 18 . 1 1 60 60 GLU C C 60 175.346 175.346 175.478 -0.132 25443 11346 1 18 . 1 1 60 60 GLU CA C 60 59.057 59.057 56.336 2.721 25443 11347 1 18 . 1 1 60 60 GLU CB C 60 30.653 30.653 30.067 0.587 25443 11348 1 18 . 1 1 60 60 GLU H H 60 8.845 8.845 8.689 0.156 25443 11349 1 18 . 1 1 61 61 ASP N N 61 116.193 116.193 124.119 -7.926 25443 11350 1 18 . 1 1 61 61 ASP HA H 61 4.915 4.915 4.619 0.296 25443 11351 1 18 . 1 1 61 61 ASP C C 61 176.659 176.659 175.278 1.381 25443 11352 1 18 . 1 1 61 61 ASP CA C 61 51.856 51.856 54.477 -2.621 25443 11353 1 18 . 1 1 61 61 ASP CB C 61 43.726 43.726 42.105 1.621 25443 11354 1 18 . 1 1 61 61 ASP H H 61 7.922 7.922 8.186 -0.264 25443 11355 1 18 . 1 1 62 62 GLN N N 62 125.812 125.812 123.675 2.137 25443 11356 1 18 . 1 1 62 62 GLN HA H 62 4.221 4.221 4.126 0.095 25443 11357 1 18 . 1 1 62 62 GLN C C 62 178.430 178.430 177.377 1.053 25443 11358 1 18 . 1 1 62 62 GLN CA C 62 58.449 58.449 58.814 -0.365 25443 11359 1 18 . 1 1 62 62 GLN CB C 62 28.076 28.076 29.038 -0.962 25443 11360 1 18 . 1 1 62 62 GLN H H 62 8.964 8.964 8.635 0.329 25443 11361 1 18 . 1 1 63 63 ARG N N 63 120.943 120.943 119.634 1.309 25443 11362 1 18 . 1 1 63 63 ARG HA H 63 3.979 3.979 4.121 -0.142 25443 11363 1 18 . 1 1 63 63 ARG C C 63 179.350 179.350 178.321 1.029 25443 11364 1 18 . 1 1 63 63 ARG CA C 63 59.398 59.398 59.158 0.240 25443 11365 1 18 . 1 1 63 63 ARG CB C 63 29.466 29.466 29.462 0.004 25443 11366 1 18 . 1 1 63 63 ARG H H 63 8.965 8.965 7.990 0.975 25443 11367 1 18 . 1 1 64 64 SER N N 64 115.358 115.358 115.858 -0.500 25443 11368 1 18 . 1 1 64 64 SER HA H 64 3.898 3.898 4.097 -0.199 25443 11369 1 18 . 1 1 64 64 SER C C 64 174.444 174.444 176.062 -1.618 25443 11370 1 18 . 1 1 64 64 SER CA C 64 62.459 62.459 62.014 0.445 25443 11371 1 18 . 1 1 64 64 SER CB C 64 62.040 62.040 62.271 -0.231 25443 11372 1 18 . 1 1 64 64 SER H H 64 8.065 8.065 9.301 -1.236 25443 11373 1 18 . 1 1 65 65 THR N N 65 113.614 113.614 115.489 -1.875 25443 11374 1 18 . 1 1 65 65 THR HA H 65 3.751 3.751 4.464 -0.713 25443 11375 1 18 . 1 1 65 65 THR C C 65 175.357 175.357 177.314 -1.957 25443 11376 1 18 . 1 1 65 65 THR CA C 65 66.292 66.292 65.329 0.963 25443 11377 1 18 . 1 1 65 65 THR CB C 65 68.457 68.457 68.820 -0.363 25443 11378 1 18 . 1 1 65 65 THR H H 65 7.484 7.484 7.713 -0.229 25443 11379 1 18 . 1 1 66 66 ILE N N 66 120.736 120.736 123.246 -2.510 25443 11380 1 18 . 1 1 66 66 ILE HA H 66 3.653 3.653 3.995 -0.342 25443 11381 1 18 . 1 1 66 66 ILE C C 66 177.518 177.518 177.498 0.020 25443 11382 1 18 . 1 1 66 66 ILE CA C 66 64.014 64.014 64.489 -0.475 25443 11383 1 18 . 1 1 66 66 ILE CB C 66 42.194 42.194 37.672 4.522 25443 11384 1 18 . 1 1 66 66 ILE H H 66 6.976 6.976 7.494 -0.518 25443 11385 1 18 . 1 1 67 67 LEU N N 67 117.584 117.584 121.398 -3.814 25443 11386 1 18 . 1 1 67 67 LEU HA H 67 3.921 3.921 3.840 0.081 25443 11387 1 18 . 1 1 67 67 LEU C C 67 179.650 179.650 178.394 1.256 25443 11388 1 18 . 1 1 67 67 LEU CA C 67 57.452 57.452 58.230 -0.778 25443 11389 1 18 . 1 1 67 67 LEU CB C 67 42.172 42.172 41.842 0.330 25443 11390 1 18 . 1 1 67 67 LEU H H 67 7.006 7.006 8.446 -1.440 25443 11391 1 18 . 1 1 68 68 ALA N N 68 121.025 121.025 120.463 0.562 25443 11392 1 18 . 1 1 68 68 ALA HA H 68 3.285 3.285 3.763 -0.478 25443 11393 1 18 . 1 1 68 68 ALA C C 68 179.216 179.216 179.629 -0.413 25443 11394 1 18 . 1 1 68 68 ALA CA C 68 55.564 55.564 54.984 0.580 25443 11395 1 18 . 1 1 68 68 ALA CB C 68 18.852 18.852 18.226 0.626 25443 11396 1 18 . 1 1 68 68 ALA H H 68 8.121 8.121 8.182 -0.061 25443 11397 1 18 . 1 1 69 69 VAL N N 69 117.799 117.799 119.098 -1.299 25443 11398 1 18 . 1 1 69 69 VAL HA H 69 3.243 3.243 3.616 -0.373 25443 11399 1 18 . 1 1 69 69 VAL C C 69 178.541 178.541 178.018 0.523 25443 11400 1 18 . 1 1 69 69 VAL CA C 69 67.237 67.237 67.272 -0.035 25443 11401 1 18 . 1 1 69 69 VAL CB C 69 31.679 31.679 31.460 0.219 25443 11402 1 18 . 1 1 69 69 VAL H H 69 8.012 8.012 7.662 0.350 25443 11403 1 18 . 1 1 70 70 ASP N N 70 117.013 117.013 118.437 -1.424 25443 11404 1 18 . 1 1 70 70 ASP HA H 70 4.339 4.339 4.399 -0.060 25443 11405 1 18 . 1 1 70 70 ASP C C 70 178.330 178.330 177.909 0.421 25443 11406 1 18 . 1 1 70 70 ASP CA C 70 57.131 57.131 57.221 -0.090 25443 11407 1 18 . 1 1 70 70 ASP CB C 70 40.465 40.465 40.508 -0.043 25443 11408 1 18 . 1 1 70 70 ASP H H 70 8.216 8.216 8.014 0.202 25443 11409 1 18 . 1 1 71 71 ASN N N 71 112.777 112.777 117.425 -4.648 25443 11410 1 18 . 1 1 71 71 ASN HA H 71 4.587 4.587 4.632 -0.045 25443 11411 1 18 . 1 1 71 71 ASN C C 71 176.314 176.314 176.985 -0.671 25443 11412 1 18 . 1 1 71 71 ASN CA C 71 55.474 55.474 55.595 -0.121 25443 11413 1 18 . 1 1 71 71 ASN CB C 71 40.592 40.592 39.583 1.009 25443 11414 1 18 . 1 1 71 71 ASN H H 71 7.582 7.582 8.071 -0.489 25443 11415 1 18 . 1 1 72 72 LEU N N 72 116.551 116.551 118.324 -1.773 25443 11416 1 18 . 1 1 72 72 LEU HA H 72 4.494 4.494 4.405 0.089 25443 11417 1 18 . 1 1 72 72 LEU C C 72 177.500 177.500 176.719 0.781 25443 11418 1 18 . 1 1 72 72 LEU CA C 72 54.590 54.590 55.064 -0.474 25443 11419 1 18 . 1 1 72 72 LEU CB C 72 42.862 42.862 43.012 -0.150 25443 11420 1 18 . 1 1 72 72 LEU H H 72 8.201 8.201 8.053 0.148 25443 11421 1 18 . 1 1 73 73 ASN N N 73 118.974 118.974 118.749 0.225 25443 11422 1 18 . 1 1 73 73 ASN HA H 73 4.392 4.392 4.731 -0.339 25443 11423 1 18 . 1 1 73 73 ASN C C 73 177.151 177.151 176.863 0.288 25443 11424 1 18 . 1 1 73 73 ASN CA C 73 56.276 56.276 54.807 1.469 25443 11425 1 18 . 1 1 73 73 ASN CB C 73 38.853 38.853 38.124 0.729 25443 11426 1 18 . 1 1 73 73 ASN H H 73 7.406 7.406 8.258 -0.852 25443 11427 1 18 . 1 1 74 74 GLY N N 74 116.478 116.478 114.072 2.406 25443 11428 1 18 . 1 1 74 74 GLY C C 74 172.756 172.756 173.828 -1.072 25443 11429 1 18 . 1 1 74 74 GLY CA C 74 45.662 45.662 44.969 0.693 25443 11430 1 18 . 1 1 74 74 GLY H H 74 9.106 9.106 9.056 0.050 25443 11431 1 18 . 1 1 75 75 PHE N N 75 123.853 123.853 123.535 0.318 25443 11432 1 18 . 1 1 75 75 PHE HA H 75 4.328 4.328 4.445 -0.117 25443 11433 1 18 . 1 1 75 75 PHE C C 75 175.065 175.065 174.295 0.770 25443 11434 1 18 . 1 1 75 75 PHE CA C 75 58.371 58.371 57.769 0.602 25443 11435 1 18 . 1 1 75 75 PHE CB C 75 40.947 40.947 40.202 0.745 25443 11436 1 18 . 1 1 75 75 PHE H H 75 8.074 8.074 8.146 -0.072 25443 11437 1 18 . 1 1 76 76 LYS N N 76 126.700 126.700 128.877 -2.177 25443 11438 1 18 . 1 1 76 76 LYS HA H 76 4.536 4.536 4.603 -0.067 25443 11439 1 18 . 1 1 76 76 LYS C C 76 175.395 175.395 175.482 -0.087 25443 11440 1 18 . 1 1 76 76 LYS CA C 76 56.227 56.227 55.379 0.848 25443 11441 1 18 . 1 1 76 76 LYS CB C 76 32.969 32.969 32.378 0.591 25443 11442 1 18 . 1 1 76 76 LYS H H 76 7.766 7.766 8.203 -0.437 25443 11443 1 18 . 1 1 77 77 ILE N N 77 120.686 120.686 127.610 -6.924 25443 11444 1 18 . 1 1 77 77 ILE HA H 77 4.231 4.231 4.143 0.088 25443 11445 1 18 . 1 1 77 77 ILE C C 77 177.605 177.605 176.230 1.375 25443 11446 1 18 . 1 1 77 77 ILE CA C 77 59.981 59.981 60.492 -0.512 25443 11447 1 18 . 1 1 77 77 ILE CB C 77 40.409 40.409 39.389 1.020 25443 11448 1 18 . 1 1 77 77 ILE H H 77 8.005 8.005 9.048 -1.043 25443 11449 1 18 . 1 1 78 78 GLY N N 78 118.352 118.352 116.808 1.544 25443 11450 1 18 . 1 1 78 78 GLY C C 78 175.639 175.639 174.965 0.674 25443 11451 1 18 . 1 1 78 78 GLY CA C 78 47.227 47.227 45.332 1.895 25443 11452 1 18 . 1 1 78 78 GLY H H 78 9.800 9.800 9.159 0.641 25443 11453 1 18 . 1 1 79 79 GLY N N 79 104.167 104.167 104.752 -0.585 25443 11454 1 18 . 1 1 79 79 GLY C C 79 173.371 173.371 173.971 -0.600 25443 11455 1 18 . 1 1 79 79 GLY CA C 79 45.037 45.037 44.839 0.198 25443 11456 1 18 . 1 1 79 79 GLY H H 79 8.795 8.795 8.321 0.474 25443 11457 1 18 . 1 1 80 80 ARG N N 80 119.090 119.090 120.505 -1.415 25443 11458 1 18 . 1 1 80 80 ARG HA H 80 4.590 4.590 4.633 -0.043 25443 11459 1 18 . 1 1 80 80 ARG C C 80 174.563 174.563 174.404 0.159 25443 11460 1 18 . 1 1 80 80 ARG CA C 80 54.615 54.615 53.572 1.043 25443 11461 1 18 . 1 1 80 80 ARG CB C 80 33.487 33.487 32.574 0.913 25443 11462 1 18 . 1 1 80 80 ARG H H 80 7.281 7.281 7.650 -0.369 25443 11463 1 18 . 1 1 81 81 ALA N N 81 126.039 126.039 127.452 -1.413 25443 11464 1 18 . 1 1 81 81 ALA HA H 81 4.216 4.216 4.914 -0.698 25443 11465 1 18 . 1 1 81 81 ALA C C 81 177.149 177.149 177.102 0.047 25443 11466 1 18 . 1 1 81 81 ALA CA C 81 51.081 51.081 50.919 0.162 25443 11467 1 18 . 1 1 81 81 ALA CB C 81 19.226 19.226 19.881 -0.655 25443 11468 1 18 . 1 1 81 81 ALA H H 81 8.651 8.651 8.523 0.128 25443 11469 1 18 . 1 1 82 82 LEU N N 82 125.451 125.451 124.882 0.569 25443 11470 1 18 . 1 1 82 82 LEU HA H 82 4.390 4.390 4.437 -0.047 25443 11471 1 18 . 1 1 82 82 LEU C C 82 177.498 177.498 176.113 1.385 25443 11472 1 18 . 1 1 82 82 LEU CA C 82 56.065 56.065 54.649 1.416 25443 11473 1 18 . 1 1 82 82 LEU CB C 82 43.267 43.267 42.873 0.394 25443 11474 1 18 . 1 1 82 82 LEU H H 82 8.805 8.805 8.745 0.060 25443 11475 1 18 . 1 1 83 83 LYS N N 83 123.253 123.253 125.377 -2.124 25443 11476 1 18 . 1 1 83 83 LYS C C 83 174.892 174.892 174.784 0.108 25443 11477 1 18 . 1 1 83 83 LYS CA C 83 54.892 54.892 54.672 0.220 25443 11478 1 18 . 1 1 83 83 LYS H H 83 7.768 7.768 8.658 -0.890 25443 11479 1 18 . 1 1 84 84 ILE N N 84 125.577 125.577 126.564 -0.987 25443 11480 1 18 . 1 1 84 84 ILE HA H 84 5.581 5.581 4.962 0.619 25443 11481 1 18 . 1 1 84 84 ILE C C 84 174.901 174.901 175.492 -0.591 25443 11482 1 18 . 1 1 84 84 ILE CA C 84 58.803 58.803 58.317 0.486 25443 11483 1 18 . 1 1 84 84 ILE CB C 84 40.306 40.306 38.266 2.041 25443 11484 1 18 . 1 1 84 84 ILE H H 84 8.616 8.616 8.583 0.033 25443 11485 1 18 . 1 1 85 85 ASP N N 85 125.373 125.373 126.276 -0.903 25443 11486 1 18 . 1 1 85 85 ASP HA H 85 4.909 4.909 5.015 -0.106 25443 11487 1 18 . 1 1 85 85 ASP C C 85 174.826 174.826 175.008 -0.182 25443 11488 1 18 . 1 1 85 85 ASP CA C 85 52.372 52.372 52.032 0.340 25443 11489 1 18 . 1 1 85 85 ASP CB C 85 45.290 45.290 44.727 0.563 25443 11490 1 18 . 1 1 85 85 ASP H H 85 8.907 8.907 8.956 -0.049 25443 11491 1 18 . 1 1 86 86 HIS N N 86 121.396 121.396 123.834 -2.438 25443 11492 1 18 . 1 1 86 86 HIS CA C 86 57.540 57.540 56.285 1.255 25443 11493 1 18 . 1 1 86 86 HIS CB C 86 30.985 30.985 30.001 0.984 25443 11494 1 18 . 1 1 86 86 HIS H H 86 8.970 8.970 8.779 0.191 25443 11495 1 18 . 1 1 87 87 THR N N 87 116.761 116.761 121.222 -4.461 25443 11496 1 18 . 1 1 87 87 THR HA H 87 4.652 4.652 4.474 0.178 25443 11497 1 18 . 1 1 87 87 THR C C 87 171.272 171.272 173.504 -2.232 25443 11498 1 18 . 1 1 87 87 THR CA C 87 60.710 60.710 60.643 0.067 25443 11499 1 18 . 1 1 87 87 THR CB C 87 69.764 69.764 70.413 -0.649 25443 11500 1 18 . 1 1 87 87 THR H H 87 8.557 8.557 8.100 0.457 25443 11501 1 18 . 1 1 88 88 PHE N N 88 120.343 120.343 124.859 -4.516 25443 11502 1 18 . 1 1 88 88 PHE HA H 88 5.273 5.273 5.030 0.243 25443 11503 1 18 . 1 1 88 88 PHE C C 88 174.288 174.288 173.852 0.436 25443 11504 1 18 . 1 1 88 88 PHE CA C 88 55.959 55.959 56.626 -0.667 25443 11505 1 18 . 1 1 88 88 PHE CB C 88 41.079 41.079 39.959 1.120 25443 11506 1 18 . 1 1 88 88 PHE H H 88 8.114 8.114 8.148 -0.034 25443 11507 1 18 . 1 1 89 89 TYR N N 89 123.043 123.043 122.934 0.109 25443 11508 1 18 . 1 1 89 89 TYR HA H 89 4.026 4.026 4.529 -0.503 25443 11509 1 18 . 1 1 89 89 TYR C C 89 173.155 173.155 173.881 -0.726 25443 11510 1 18 . 1 1 89 89 TYR CA C 89 57.493 57.493 57.287 0.206 25443 11511 1 18 . 1 1 89 89 TYR CB C 89 39.829 39.829 42.139 -2.310 25443 11512 1 18 . 1 1 89 89 TYR H H 89 8.176 8.176 8.351 -0.175 25443 11513 1 18 . 1 1 90 90 ARG N N 90 129.004 129.004 127.201 1.803 25443 11514 1 18 . 1 1 90 90 ARG HA H 90 4.398 4.398 4.534 -0.136 25443 11515 1 18 . 1 1 90 90 ARG CA C 90 51.548 51.548 52.918 -1.370 25443 11516 1 18 . 1 1 90 90 ARG CB C 90 30.882 30.882 30.281 0.601 25443 11517 1 18 . 1 1 90 90 ARG H H 90 7.078 7.078 7.846 -0.768 25443 11518 1 18 . 1 1 91 91 PRO HA H 91 4.155 4.155 4.376 -0.221 25443 11519 1 18 . 1 1 91 91 PRO C C 91 176.340 176.340 176.685 -0.345 25443 11520 1 18 . 1 1 91 91 PRO CA C 91 62.454 62.454 62.662 -0.208 25443 11521 1 18 . 1 1 91 91 PRO CB C 91 33.072 33.072 31.514 1.558 25443 11522 1 18 . 1 1 92 92 LYS N N 92 119.682 119.682 125.198 -5.516 25443 11523 1 18 . 1 1 92 92 LYS CA C 92 54.711 54.711 55.962 -1.251 25443 11524 1 18 . 1 1 92 92 LYS H H 92 8.644 8.644 8.280 0.364 25443 11525 1 18 . 1 1 93 93 ARG C C 93 178.899 178.899 177.933 0.966 25443 11526 1 18 . 1 1 93 93 ARG CA C 93 59.125 59.125 58.583 0.542 25443 11527 1 18 . 1 1 94 94 SER N N 94 112.166 112.166 113.069 -0.903 25443 11528 1 18 . 1 1 94 94 SER HA H 94 4.176 4.176 4.354 -0.178 25443 11529 1 18 . 1 1 94 94 SER C C 94 175.776 175.776 175.171 0.605 25443 11530 1 18 . 1 1 94 94 SER CA C 94 60.031 60.031 60.336 -0.305 25443 11531 1 18 . 1 1 94 94 SER CB C 94 62.152 62.152 62.775 -0.623 25443 11532 1 18 . 1 1 94 94 SER H H 94 8.299 8.299 8.396 -0.097 25443 11533 1 18 . 1 1 95 95 LEU N N 95 122.179 122.179 122.406 -0.227 25443 11534 1 18 . 1 1 95 95 LEU HA H 95 4.651 4.651 4.784 -0.133 25443 11535 1 18 . 1 1 95 95 LEU C C 95 175.381 175.381 176.810 -1.429 25443 11536 1 18 . 1 1 95 95 LEU CA C 95 53.934 53.934 53.765 0.169 25443 11537 1 18 . 1 1 95 95 LEU CB C 95 41.861 41.861 42.742 -0.881 25443 11538 1 18 . 1 1 95 95 LEU H H 95 7.159 7.159 7.390 -0.231 25443 11539 1 18 . 1 1 96 96 GLN N N 96 118.834 118.834 120.005 -1.171 25443 11540 1 18 . 1 1 96 96 GLN HA H 96 4.030 4.030 4.016 0.014 25443 11541 1 18 . 1 1 96 96 GLN C C 96 177.751 177.751 177.635 0.116 25443 11542 1 18 . 1 1 96 96 GLN CA C 96 60.705 60.705 58.961 1.744 25443 11543 1 18 . 1 1 96 96 GLN CB C 96 28.822 28.822 28.055 0.767 25443 11544 1 18 . 1 1 96 96 GLN H H 96 7.329 7.329 7.572 -0.243 25443 11545 1 18 . 1 1 97 97 LYS N N 97 116.469 116.469 120.482 -4.013 25443 11546 1 18 . 1 1 97 97 LYS HA H 97 4.060 4.060 4.113 -0.053 25443 11547 1 18 . 1 1 97 97 LYS C C 97 179.164 179.164 178.905 0.259 25443 11548 1 18 . 1 1 97 97 LYS CA C 97 59.430 59.430 59.267 0.163 25443 11549 1 18 . 1 1 97 97 LYS CB C 97 31.511 31.511 31.697 -0.186 25443 11550 1 18 . 1 1 97 97 LYS H H 97 8.614 8.614 8.316 0.298 25443 11551 1 18 . 1 1 98 98 TYR N N 98 124.165 124.165 121.124 3.041 25443 11552 1 18 . 1 1 98 98 TYR HA H 98 4.079 4.079 4.198 -0.119 25443 11553 1 18 . 1 1 98 98 TYR C C 98 177.316 177.316 178.181 -0.865 25443 11554 1 18 . 1 1 98 98 TYR CA C 98 62.205 62.205 62.353 -0.148 25443 11555 1 18 . 1 1 98 98 TYR CB C 98 37.162 37.162 38.598 -1.436 25443 11556 1 18 . 1 1 98 98 TYR H H 98 7.585 7.585 7.898 -0.313 25443 11557 1 18 . 1 1 99 99 TYR N N 99 117.955 117.955 118.378 -0.423 25443 11558 1 18 . 1 1 99 99 TYR HA H 99 5.078 5.078 4.171 0.907 25443 11559 1 18 . 1 1 99 99 TYR C C 99 180.957 180.957 178.144 2.813 25443 11560 1 18 . 1 1 99 99 TYR CA C 99 57.741 57.741 62.422 -4.681 25443 11561 1 18 . 1 1 99 99 TYR CB C 99 37.083 37.083 38.057 -0.974 25443 11562 1 18 . 1 1 99 99 TYR H H 99 8.660 8.660 8.155 0.505 25443 11563 1 18 . 1 1 100 100 GLU N N 100 118.796 118.796 119.725 -0.929 25443 11564 1 18 . 1 1 100 100 GLU HA H 100 4.024 4.024 3.870 0.154 25443 11565 1 18 . 1 1 100 100 GLU C C 100 178.571 178.571 178.500 0.071 25443 11566 1 18 . 1 1 100 100 GLU CA C 100 59.400 59.400 59.668 -0.268 25443 11567 1 18 . 1 1 100 100 GLU CB C 100 29.660 29.660 29.677 -0.017 25443 11568 1 18 . 1 1 100 100 GLU H H 100 8.263 8.263 8.833 -0.570 25443 11569 1 18 . 1 1 101 101 ALA N N 101 123.346 123.346 121.931 1.415 25443 11570 1 18 . 1 1 101 101 ALA HA H 101 4.244 4.244 4.332 -0.088 25443 11571 1 18 . 1 1 101 101 ALA C C 101 181.331 181.331 180.095 1.236 25443 11572 1 18 . 1 1 101 101 ALA CA C 101 54.851 54.851 54.873 -0.022 25443 11573 1 18 . 1 1 101 101 ALA CB C 101 18.559 18.559 18.575 -0.016 25443 11574 1 18 . 1 1 101 101 ALA H H 101 7.966 7.966 8.025 -0.059 25443 11575 1 18 . 1 1 102 102 VAL N N 102 120.241 120.241 118.250 1.991 25443 11576 1 18 . 1 1 102 102 VAL HA H 102 3.713 3.713 3.544 0.169 25443 11577 1 18 . 1 1 102 102 VAL C C 102 176.967 176.967 177.819 -0.852 25443 11578 1 18 . 1 1 102 102 VAL CA C 102 67.433 67.433 66.254 1.179 25443 11579 1 18 . 1 1 102 102 VAL CB C 102 31.721 31.721 31.633 0.088 25443 11580 1 18 . 1 1 102 102 VAL H H 102 8.331 8.331 8.056 0.275 25443 11581 1 18 . 1 1 103 103 LYS N N 103 120.001 120.001 120.861 -0.860 25443 11582 1 18 . 1 1 103 103 LYS HA H 103 3.859 3.859 3.979 -0.120 25443 11583 1 18 . 1 1 103 103 LYS C C 103 178.500 178.500 178.513 -0.013 25443 11584 1 18 . 1 1 103 103 LYS CA C 103 59.652 59.652 60.161 -0.509 25443 11585 1 18 . 1 1 103 103 LYS CB C 103 32.040 32.040 32.498 -0.458 25443 11586 1 18 . 1 1 103 103 LYS H H 103 8.201 8.201 8.345 -0.144 25443 11587 1 18 . 1 1 104 104 GLU N N 104 116.335 116.335 117.476 -1.141 25443 11588 1 18 . 1 1 104 104 GLU HA H 104 3.928 3.928 4.060 -0.132 25443 11589 1 18 . 1 1 104 104 GLU C C 104 178.645 178.645 179.031 -0.386 25443 11590 1 18 . 1 1 104 104 GLU CA C 104 59.110 59.110 59.140 -0.030 25443 11591 1 18 . 1 1 104 104 GLU CB C 104 29.607 29.607 29.112 0.495 25443 11592 1 18 . 1 1 104 104 GLU H H 104 7.909 7.909 8.607 -0.698 25443 11593 1 18 . 1 1 105 105 GLU N N 105 119.210 119.210 119.439 -0.229 25443 11594 1 18 . 1 1 105 105 GLU HA H 105 3.844 3.844 4.133 -0.289 25443 11595 1 18 . 1 1 105 105 GLU C C 105 178.613 178.613 178.707 -0.094 25443 11596 1 18 . 1 1 105 105 GLU CA C 105 58.162 58.162 58.281 -0.119 25443 11597 1 18 . 1 1 105 105 GLU CB C 105 29.754 29.754 29.250 0.504 25443 11598 1 18 . 1 1 105 105 GLU H H 105 7.257 7.257 7.504 -0.247 25443 11599 1 18 . 1 1 106 106 LEU N N 106 117.408 117.408 119.437 -2.029 25443 11600 1 18 . 1 1 106 106 LEU HA H 106 3.976 3.976 4.130 -0.154 25443 11601 1 18 . 1 1 106 106 LEU C C 106 178.646 178.646 179.395 -0.749 25443 11602 1 18 . 1 1 106 106 LEU CA C 106 56.699 56.699 57.467 -0.768 25443 11603 1 18 . 1 1 106 106 LEU CB C 106 40.455 40.455 41.827 -1.372 25443 11604 1 18 . 1 1 106 106 LEU H H 106 8.169 8.169 7.769 0.400 25443 11605 1 18 . 1 1 107 107 ASP N N 107 119.073 119.073 119.737 -0.664 25443 11606 1 18 . 1 1 107 107 ASP HA H 107 4.521 4.521 4.445 0.076 25443 11607 1 18 . 1 1 107 107 ASP C C 107 177.069 177.069 178.220 -1.151 25443 11608 1 18 . 1 1 107 107 ASP CA C 107 55.099 55.099 57.931 -2.832 25443 11609 1 18 . 1 1 107 107 ASP CB C 107 40.670 40.670 40.589 0.081 25443 11610 1 18 . 1 1 107 107 ASP H H 107 8.003 8.003 8.508 -0.505 25443 11611 1 18 . 1 1 108 108 ARG N N 108 120.705 120.705 117.872 2.833 25443 11612 1 18 . 1 1 108 108 ARG HA H 108 4.067 4.067 4.130 -0.063 25443 11613 1 18 . 1 1 108 108 ARG C C 108 176.990 176.990 177.360 -0.370 25443 11614 1 18 . 1 1 108 108 ARG CA C 108 57.517 57.517 58.334 -0.817 25443 11615 1 18 . 1 1 108 108 ARG CB C 108 30.407 30.407 29.993 0.414 25443 11616 1 18 . 1 1 108 108 ARG H H 108 7.603 7.603 7.474 0.129 25443 11617 1 18 . 1 1 109 109 ASP N N 109 120.246 120.246 119.109 1.137 25443 11618 1 18 . 1 1 109 109 ASP HA H 109 4.521 4.521 4.533 -0.012 25443 11619 1 18 . 1 1 109 109 ASP C C 109 176.630 176.630 177.237 -0.607 25443 11620 1 18 . 1 1 109 109 ASP CA C 109 55.028 55.028 56.513 -1.485 25443 11621 1 18 . 1 1 109 109 ASP CB C 109 40.936 40.936 41.225 -0.289 25443 11622 1 18 . 1 1 109 109 ASP H H 109 8.226 8.226 7.756 0.470 25443 11623 1 18 . 1 1 110 110 ILE N N 110 120.386 120.386 117.836 2.550 25443 11624 1 18 . 1 1 110 110 ILE HA H 110 3.987 3.987 4.047 -0.060 25443 11625 1 18 . 1 1 110 110 ILE C C 110 176.996 176.996 177.297 -0.301 25443 11626 1 18 . 1 1 110 110 ILE CA C 110 62.241 62.241 62.730 -0.488 25443 11627 1 18 . 1 1 110 110 ILE CB C 110 38.359 38.359 38.999 -0.640 25443 11628 1 18 . 1 1 110 110 ILE H H 110 7.863 7.863 7.474 0.389 25443 11629 1 18 . 1 1 111 111 VAL N N 111 122.548 122.548 115.922 6.626 25443 11630 1 18 . 1 1 111 111 VAL HA H 111 3.946 3.946 3.557 0.389 25443 11631 1 18 . 1 1 111 111 VAL C C 111 176.938 176.938 175.738 1.200 25443 11632 1 18 . 1 1 111 111 VAL CA C 111 63.499 63.499 65.992 -2.493 25443 11633 1 18 . 1 1 111 111 VAL CB C 111 32.223 32.223 30.593 1.630 25443 11634 1 18 . 1 1 111 111 VAL H H 111 8.016 8.016 8.577 -0.561 25443 11635 1 18 . 1 1 112 112 SER N N 112 117.984 117.984 114.627 3.357 25443 11636 1 18 . 1 1 112 112 SER HA H 112 4.317 4.317 4.551 -0.234 25443 11637 1 18 . 1 1 112 112 SER C C 112 175.154 175.154 174.210 0.944 25443 11638 1 18 . 1 1 112 112 SER CA C 112 59.025 59.025 58.548 0.477 25443 11639 1 18 . 1 1 112 112 SER CB C 112 63.419 63.419 64.617 -1.198 25443 11640 1 18 . 1 1 112 112 SER H H 112 8.187 8.187 8.428 -0.241 25443 11641 1 18 . 1 1 113 113 LYS N N 113 122.727 122.727 120.664 2.063 25443 11642 1 18 . 1 1 113 113 LYS HA H 113 4.209 4.209 4.577 -0.368 25443 11643 1 18 . 1 1 113 113 LYS C C 113 176.713 176.713 176.250 0.463 25443 11644 1 18 . 1 1 113 113 LYS CA C 113 56.844 56.844 55.533 1.311 25443 11645 1 18 . 1 1 113 113 LYS CB C 113 32.794 32.794 33.892 -1.098 25443 11646 1 18 . 1 1 113 113 LYS H H 113 8.152 8.152 8.061 0.091 25443 11647 1 18 . 1 1 114 114 ASN N N 114 118.886 118.886 119.171 -0.285 25443 11648 1 18 . 1 1 114 114 ASN C C 114 175.227 175.227 174.336 0.891 25443 11649 1 18 . 1 1 114 114 ASN CA C 114 53.549 53.549 53.627 -0.078 25443 11650 1 18 . 1 1 114 114 ASN H H 114 8.261 8.261 8.335 -0.074 25443 11651 1 18 . 1 1 115 115 ASN N N 115 119.345 119.345 123.205 -3.860 25443 11652 1 18 . 1 1 115 115 ASN C C 115 174.896 174.896 174.721 0.175 25443 11653 1 18 . 1 1 115 115 ASN CA C 115 53.476 53.476 53.588 -0.112 25443 11654 1 18 . 1 1 115 115 ASN H H 115 8.257 8.257 8.791 -0.534 25443 11655 1 18 . 1 1 116 116 ALA N N 116 123.669 123.669 124.490 -0.821 25443 11656 1 18 . 1 1 116 116 ALA HA H 116 4.254 4.254 4.415 -0.161 25443 11657 1 18 . 1 1 116 116 ALA C C 116 177.567 177.567 176.551 1.016 25443 11658 1 18 . 1 1 116 116 ALA CA C 116 52.678 52.678 51.694 0.984 25443 11659 1 18 . 1 1 116 116 ALA CB C 116 19.243 19.243 19.904 -0.661 25443 11660 1 18 . 1 1 116 116 ALA H H 116 8.094 8.094 7.744 0.350 25443 11661 1 18 . 1 1 117 117 GLU N N 117 120.083 120.083 119.154 0.929 25443 11662 1 18 . 1 1 117 117 GLU C C 117 175.564 175.564 176.041 -0.477 25443 11663 1 18 . 1 1 117 117 GLU CA C 117 56.602 56.602 56.014 0.588 25443 11664 1 18 . 1 1 117 117 GLU H H 117 8.221 8.221 7.848 0.373 25443 11665 1 19 . 1 1 2 2 ALA HA H 2 4.286 4.286 4.317 -0.031 25443 11666 1 19 . 1 1 2 2 ALA C C 2 177.853 177.853 179.240 -1.387 25443 11667 1 19 . 1 1 2 2 ALA CA C 2 52.661 52.661 53.871 -1.210 25443 11668 1 19 . 1 1 2 2 ALA CB C 2 19.308 19.308 19.205 0.103 25443 11669 1 19 . 1 1 3 3 MET N N 3 119.404 119.404 116.991 2.413 25443 11670 1 19 . 1 1 3 3 MET HA H 3 4.435 4.435 4.495 -0.060 25443 11671 1 19 . 1 1 3 3 MET C C 3 176.731 176.731 178.088 -1.357 25443 11672 1 19 . 1 1 3 3 MET CA C 3 55.503 55.503 54.556 0.947 25443 11673 1 19 . 1 1 3 3 MET CB C 3 32.795 32.795 31.574 1.221 25443 11674 1 19 . 1 1 3 3 MET H H 3 8.530 8.530 8.211 0.319 25443 11675 1 19 . 1 1 4 4 GLY N N 4 109.968 109.968 107.465 2.503 25443 11676 1 19 . 1 1 4 4 GLY C C 4 174.057 174.057 175.560 -1.503 25443 11677 1 19 . 1 1 4 4 GLY CA C 4 45.363 45.363 45.838 -0.475 25443 11678 1 19 . 1 1 4 4 GLY H H 4 8.414 8.414 7.841 0.573 25443 11679 1 19 . 1 1 5 5 ASN N N 5 118.659 118.659 119.815 -1.156 25443 11680 1 19 . 1 1 5 5 ASN HA H 5 4.606 4.606 4.506 0.100 25443 11681 1 19 . 1 1 5 5 ASN C C 5 175.443 175.443 176.956 -1.513 25443 11682 1 19 . 1 1 5 5 ASN CA C 5 53.530 53.530 55.757 -2.227 25443 11683 1 19 . 1 1 5 5 ASN CB C 5 38.876 38.876 37.932 0.944 25443 11684 1 19 . 1 1 5 5 ASN H H 5 8.326 8.326 7.918 0.408 25443 11685 1 19 . 1 1 6 6 GLU N N 6 120.909 120.909 119.240 1.669 25443 11686 1 19 . 1 1 6 6 GLU HA H 6 4.097 4.097 4.287 -0.190 25443 11687 1 19 . 1 1 6 6 GLU C C 6 176.261 176.261 176.110 0.151 25443 11688 1 19 . 1 1 6 6 GLU CA C 6 57.171 57.171 56.713 0.458 25443 11689 1 19 . 1 1 6 6 GLU CB C 6 29.715 29.715 29.390 0.325 25443 11690 1 19 . 1 1 6 6 GLU H H 6 8.633 8.633 7.866 0.767 25443 11691 1 19 . 1 1 7 7 TYR N N 7 120.283 120.283 116.958 3.325 25443 11692 1 19 . 1 1 7 7 TYR HA H 7 4.440 4.440 4.793 -0.353 25443 11693 1 19 . 1 1 7 7 TYR C C 7 175.789 175.789 176.264 -0.475 25443 11694 1 19 . 1 1 7 7 TYR CA C 7 58.061 58.061 57.697 0.364 25443 11695 1 19 . 1 1 7 7 TYR CB C 7 38.193 38.193 39.230 -1.037 25443 11696 1 19 . 1 1 7 7 TYR H H 7 8.069 8.069 7.807 0.262 25443 11697 1 19 . 1 1 8 8 LYS N N 8 121.780 121.780 121.277 0.503 25443 11698 1 19 . 1 1 8 8 LYS HA H 8 4.107 4.107 4.134 -0.027 25443 11699 1 19 . 1 1 8 8 LYS C C 8 175.970 175.970 177.050 -1.080 25443 11700 1 19 . 1 1 8 8 LYS CA C 8 56.550 56.550 59.164 -2.614 25443 11701 1 19 . 1 1 8 8 LYS CB C 8 33.141 33.141 31.966 1.175 25443 11702 1 19 . 1 1 8 8 LYS H H 8 7.868 7.868 7.451 0.417 25443 11703 1 19 . 1 1 9 9 ASP N N 9 119.825 119.825 116.953 2.872 25443 11704 1 19 . 1 1 9 9 ASP HA H 9 4.577 4.577 4.552 0.025 25443 11705 1 19 . 1 1 9 9 ASP C C 9 175.979 175.979 175.935 0.044 25443 11706 1 19 . 1 1 9 9 ASP CA C 9 54.608 54.608 55.063 -0.455 25443 11707 1 19 . 1 1 9 9 ASP CB C 9 41.455 41.455 40.122 1.333 25443 11708 1 19 . 1 1 9 9 ASP H H 9 8.164 8.164 8.514 -0.350 25443 11709 1 19 . 1 1 10 10 ASN N N 10 119.410 119.410 119.106 0.304 25443 11710 1 19 . 1 1 10 10 ASN HA H 10 4.935 4.935 5.024 -0.089 25443 11711 1 19 . 1 1 10 10 ASN C C 10 174.654 174.654 174.016 0.638 25443 11712 1 19 . 1 1 10 10 ASN CA C 10 52.792 52.792 52.443 0.349 25443 11713 1 19 . 1 1 10 10 ASN CB C 10 38.554 38.554 39.581 -1.027 25443 11714 1 19 . 1 1 10 10 ASN H H 10 8.284 8.284 7.822 0.462 25443 11715 1 19 . 1 1 11 11 ALA N N 11 122.716 122.716 123.646 -0.930 25443 11716 1 19 . 1 1 11 11 ALA HA H 11 4.521 4.521 4.286 0.235 25443 11717 1 19 . 1 1 11 11 ALA CA C 11 53.148 53.148 52.249 0.899 25443 11718 1 19 . 1 1 11 11 ALA CB C 11 19.223 19.223 18.111 1.112 25443 11719 1 19 . 1 1 11 11 ALA H H 11 8.260 8.260 7.173 1.087 25443 11720 1 19 . 1 1 12 12 TYR HA H 12 4.943 4.943 5.298 -0.355 25443 11721 1 19 . 1 1 12 12 TYR C C 12 177.075 177.075 174.470 2.605 25443 11722 1 19 . 1 1 12 12 TYR CA C 12 57.314 57.314 57.285 0.029 25443 11723 1 19 . 1 1 12 12 TYR CB C 12 42.614 42.614 42.963 -0.349 25443 11724 1 19 . 1 1 13 13 ILE N N 13 114.211 114.211 119.168 -4.957 25443 11725 1 19 . 1 1 13 13 ILE HA H 13 4.981 4.981 5.262 -0.281 25443 11726 1 19 . 1 1 13 13 ILE C C 13 174.500 174.500 174.322 0.178 25443 11727 1 19 . 1 1 13 13 ILE CA C 13 60.380 60.380 59.140 1.240 25443 11728 1 19 . 1 1 13 13 ILE CB C 13 39.792 39.792 40.599 -0.807 25443 11729 1 19 . 1 1 13 13 ILE H H 13 9.358 9.358 8.990 0.368 25443 11730 1 19 . 1 1 14 14 TYR N N 14 124.891 124.891 127.769 -2.878 25443 11731 1 19 . 1 1 14 14 TYR HA H 14 4.579 4.579 5.143 -0.564 25443 11732 1 19 . 1 1 14 14 TYR C C 14 173.192 173.192 173.917 -0.725 25443 11733 1 19 . 1 1 14 14 TYR CA C 14 56.202 56.202 56.720 -0.518 25443 11734 1 19 . 1 1 14 14 TYR CB C 14 40.163 40.163 40.820 -0.657 25443 11735 1 19 . 1 1 14 14 TYR H H 14 9.163 9.163 9.007 0.157 25443 11736 1 19 . 1 1 15 15 ILE N N 15 127.801 127.801 125.942 1.859 25443 11737 1 19 . 1 1 15 15 ILE HA H 15 4.210 4.210 5.118 -0.908 25443 11738 1 19 . 1 1 15 15 ILE C C 15 173.823 173.823 175.715 -1.892 25443 11739 1 19 . 1 1 15 15 ILE CA C 15 59.616 59.616 59.067 0.549 25443 11740 1 19 . 1 1 15 15 ILE CB C 15 39.735 39.735 41.163 -1.427 25443 11741 1 19 . 1 1 15 15 ILE H H 15 8.569 8.569 8.068 0.501 25443 11742 1 19 . 1 1 16 16 GLY N N 16 112.441 112.441 112.331 0.110 25443 11743 1 19 . 1 1 16 16 GLY C C 16 173.159 173.159 173.513 -0.354 25443 11744 1 19 . 1 1 16 16 GLY CA C 16 43.244 43.244 43.054 0.190 25443 11745 1 19 . 1 1 16 16 GLY H H 16 9.354 9.354 8.152 1.202 25443 11746 1 19 . 1 1 17 17 ASN N N 17 114.797 114.797 116.235 -1.438 25443 11747 1 19 . 1 1 17 17 ASN HA H 17 4.347 4.347 4.482 -0.135 25443 11748 1 19 . 1 1 17 17 ASN C C 17 174.834 174.834 174.469 0.365 25443 11749 1 19 . 1 1 17 17 ASN CA C 17 53.214 53.214 54.192 -0.978 25443 11750 1 19 . 1 1 17 17 ASN CB C 17 37.826 37.826 38.937 -1.111 25443 11751 1 19 . 1 1 17 17 ASN H H 17 8.552 8.552 8.483 0.069 25443 11752 1 19 . 1 1 18 18 LEU N N 18 114.526 114.526 121.128 -6.602 25443 11753 1 19 . 1 1 18 18 LEU HA H 18 3.994 3.994 4.484 -0.490 25443 11754 1 19 . 1 1 18 18 LEU C C 18 177.948 177.948 175.898 2.050 25443 11755 1 19 . 1 1 18 18 LEU CA C 18 53.772 53.772 53.111 0.661 25443 11756 1 19 . 1 1 18 18 LEU CB C 18 42.385 42.385 44.628 -2.243 25443 11757 1 19 . 1 1 18 18 LEU H H 18 7.743 7.743 7.774 -0.031 25443 11758 1 19 . 1 1 19 19 ASN N N 19 122.718 122.718 118.228 4.490 25443 11759 1 19 . 1 1 19 19 ASN HA H 19 4.302 4.302 4.737 -0.435 25443 11760 1 19 . 1 1 19 19 ASN C C 19 178.040 178.040 176.812 1.228 25443 11761 1 19 . 1 1 19 19 ASN CA C 19 54.421 54.421 52.601 1.820 25443 11762 1 19 . 1 1 19 19 ASN CB C 19 38.580 38.580 39.875 -1.295 25443 11763 1 19 . 1 1 19 19 ASN H H 19 8.758 8.758 8.559 0.199 25443 11764 1 19 . 1 1 20 20 ARG N N 20 128.821 128.821 123.764 5.057 25443 11765 1 19 . 1 1 20 20 ARG HA H 20 3.790 3.790 4.215 -0.425 25443 11766 1 19 . 1 1 20 20 ARG C C 20 175.566 175.566 177.092 -1.526 25443 11767 1 19 . 1 1 20 20 ARG CA C 20 58.775 58.775 58.185 0.590 25443 11768 1 19 . 1 1 20 20 ARG CB C 20 29.642 29.642 30.161 -0.519 25443 11769 1 19 . 1 1 20 20 ARG H H 20 8.997 8.997 8.845 0.152 25443 11770 1 19 . 1 1 21 21 GLU N N 21 117.438 117.438 117.002 0.436 25443 11771 1 19 . 1 1 21 21 GLU HA H 21 4.214 4.214 4.317 -0.103 25443 11772 1 19 . 1 1 21 21 GLU C C 21 177.076 177.076 176.107 0.969 25443 11773 1 19 . 1 1 21 21 GLU CA C 21 56.677 56.677 56.145 0.532 25443 11774 1 19 . 1 1 21 21 GLU CB C 21 30.451 30.451 30.245 0.206 25443 11775 1 19 . 1 1 21 21 GLU H H 21 9.043 9.043 8.441 0.602 25443 11776 1 19 . 1 1 22 22 LEU N N 22 116.311 116.311 122.783 -6.472 25443 11777 1 19 . 1 1 22 22 LEU HA H 22 4.491 4.491 4.566 -0.075 25443 11778 1 19 . 1 1 22 22 LEU C C 22 178.389 178.389 175.588 2.801 25443 11779 1 19 . 1 1 22 22 LEU CA C 22 55.496 55.496 54.075 1.421 25443 11780 1 19 . 1 1 22 22 LEU CB C 22 42.148 42.148 42.141 0.007 25443 11781 1 19 . 1 1 22 22 LEU H H 22 7.183 7.183 7.468 -0.285 25443 11782 1 19 . 1 1 23 23 THR N N 23 113.850 113.850 116.393 -2.543 25443 11783 1 19 . 1 1 23 23 THR HA H 23 4.289 4.289 4.771 -0.482 25443 11784 1 19 . 1 1 23 23 THR C C 23 175.229 175.229 175.922 -0.693 25443 11785 1 19 . 1 1 23 23 THR CA C 23 59.895 59.895 59.762 0.133 25443 11786 1 19 . 1 1 23 23 THR CB C 23 71.989 71.989 72.018 -0.029 25443 11787 1 19 . 1 1 23 23 THR H H 23 8.743 8.743 8.930 -0.187 25443 11788 1 19 . 1 1 24 24 GLU N N 24 119.724 119.724 122.199 -2.475 25443 11789 1 19 . 1 1 24 24 GLU HA H 24 3.591 3.591 4.098 -0.507 25443 11790 1 19 . 1 1 24 24 GLU C C 24 178.597 178.597 178.895 -0.298 25443 11791 1 19 . 1 1 24 24 GLU CA C 24 63.490 63.490 61.006 2.484 25443 11792 1 19 . 1 1 24 24 GLU CB C 24 27.433 27.433 29.060 -1.627 25443 11793 1 19 . 1 1 24 24 GLU H H 24 9.641 9.641 8.945 0.696 25443 11794 1 19 . 1 1 25 25 GLY N N 25 104.430 104.430 107.427 -2.997 25443 11795 1 19 . 1 1 25 25 GLY C C 25 175.425 175.425 175.691 -0.266 25443 11796 1 19 . 1 1 25 25 GLY CA C 25 47.334 47.334 47.129 0.205 25443 11797 1 19 . 1 1 25 25 GLY H H 25 8.423 8.423 7.897 0.526 25443 11798 1 19 . 1 1 26 26 ASP N N 26 123.128 123.128 123.191 -0.063 25443 11799 1 19 . 1 1 26 26 ASP HA H 26 4.530 4.530 4.432 0.098 25443 11800 1 19 . 1 1 26 26 ASP C C 26 177.878 177.878 178.617 -0.739 25443 11801 1 19 . 1 1 26 26 ASP CA C 26 57.429 57.429 58.136 -0.707 25443 11802 1 19 . 1 1 26 26 ASP CB C 26 41.612 41.612 40.764 0.848 25443 11803 1 19 . 1 1 26 26 ASP H H 26 7.859 7.859 7.503 0.356 25443 11804 1 19 . 1 1 27 27 ILE N N 27 118.864 118.864 120.402 -1.538 25443 11805 1 19 . 1 1 27 27 ILE HA H 27 3.534 3.534 3.628 -0.095 25443 11806 1 19 . 1 1 27 27 ILE C C 27 178.225 178.225 178.044 0.181 25443 11807 1 19 . 1 1 27 27 ILE CA C 27 65.627 65.627 65.102 0.525 25443 11808 1 19 . 1 1 27 27 ILE CB C 27 37.614 37.614 37.981 -0.367 25443 11809 1 19 . 1 1 27 27 ILE H H 27 8.055 8.055 7.759 0.296 25443 11810 1 19 . 1 1 28 28 LEU N N 28 119.416 119.416 120.607 -1.191 25443 11811 1 19 . 1 1 28 28 LEU HA H 28 3.861 3.861 4.146 -0.285 25443 11812 1 19 . 1 1 28 28 LEU C C 28 179.884 179.884 178.731 1.153 25443 11813 1 19 . 1 1 28 28 LEU CA C 28 58.758 58.758 58.496 0.262 25443 11814 1 19 . 1 1 28 28 LEU CB C 28 41.137 41.137 41.514 -0.377 25443 11815 1 19 . 1 1 28 28 LEU H H 28 8.423 8.423 8.543 -0.120 25443 11816 1 19 . 1 1 29 29 THR N N 29 119.586 119.586 116.561 3.025 25443 11817 1 19 . 1 1 29 29 THR HA H 29 3.790 3.790 3.831 -0.041 25443 11818 1 19 . 1 1 29 29 THR C C 29 176.530 176.530 176.490 0.040 25443 11819 1 19 . 1 1 29 29 THR CA C 29 67.322 67.322 67.068 0.254 25443 11820 1 19 . 1 1 29 29 THR CB C 29 68.372 68.372 68.678 -0.306 25443 11821 1 19 . 1 1 29 29 THR H H 29 8.552 8.552 7.693 0.859 25443 11822 1 19 . 1 1 30 30 VAL N N 30 119.948 119.948 120.569 -0.621 25443 11823 1 19 . 1 1 30 30 VAL HA H 30 3.601 3.601 3.501 0.100 25443 11824 1 19 . 1 1 30 30 VAL C C 30 178.670 178.670 178.056 0.614 25443 11825 1 19 . 1 1 30 30 VAL CA C 30 66.081 66.081 65.889 0.192 25443 11826 1 19 . 1 1 30 30 VAL CB C 30 32.993 32.993 30.955 2.038 25443 11827 1 19 . 1 1 30 30 VAL H H 30 7.959 7.959 8.140 -0.181 25443 11828 1 19 . 1 1 31 31 PHE N N 31 113.636 113.636 118.423 -4.787 25443 11829 1 19 . 1 1 31 31 PHE HA H 31 4.006 4.006 4.375 -0.369 25443 11830 1 19 . 1 1 31 31 PHE C C 31 180.133 180.133 177.973 2.160 25443 11831 1 19 . 1 1 31 31 PHE CA C 31 62.266 62.266 60.097 2.169 25443 11832 1 19 . 1 1 31 31 PHE CB C 31 37.711 37.711 38.019 -0.308 25443 11833 1 19 . 1 1 31 31 PHE H H 31 8.726 8.726 7.896 0.830 25443 11834 1 19 . 1 1 32 32 SER N N 32 119.746 119.746 115.290 4.456 25443 11835 1 19 . 1 1 32 32 SER HA H 32 5.107 5.107 4.224 0.883 25443 11836 1 19 . 1 1 32 32 SER C C 32 173.450 173.450 175.984 -2.534 25443 11837 1 19 . 1 1 32 32 SER CA C 32 61.440 61.440 61.333 0.107 25443 11838 1 19 . 1 1 32 32 SER CB C 32 62.690 62.690 62.445 0.245 25443 11839 1 19 . 1 1 32 32 SER H H 32 8.564 8.564 8.285 0.279 25443 11840 1 19 . 1 1 33 33 GLU N N 33 118.689 118.689 122.056 -3.367 25443 11841 1 19 . 1 1 33 33 GLU HA H 33 3.854 3.854 3.931 -0.077 25443 11842 1 19 . 1 1 33 33 GLU C C 33 176.471 176.471 177.424 -0.953 25443 11843 1 19 . 1 1 33 33 GLU CA C 33 57.997 57.997 58.613 -0.616 25443 11844 1 19 . 1 1 33 33 GLU CB C 33 29.503 29.503 29.262 0.241 25443 11845 1 19 . 1 1 33 33 GLU H H 33 6.733 6.733 7.448 -0.715 25443 11846 1 19 . 1 1 34 34 TYR N N 34 111.313 111.313 116.471 -5.158 25443 11847 1 19 . 1 1 34 34 TYR HA H 34 4.469 4.469 4.556 -0.087 25443 11848 1 19 . 1 1 34 34 TYR C C 34 174.351 174.351 175.773 -1.422 25443 11849 1 19 . 1 1 34 34 TYR CA C 34 57.940 57.940 56.519 1.421 25443 11850 1 19 . 1 1 34 34 TYR CB C 34 39.557 39.557 38.572 0.985 25443 11851 1 19 . 1 1 34 34 TYR H H 34 6.662 6.662 7.108 -0.446 25443 11852 1 19 . 1 1 35 35 GLY N N 35 106.055 106.055 109.600 -3.545 25443 11853 1 19 . 1 1 35 35 GLY C C 35 170.709 170.709 174.399 -3.690 25443 11854 1 19 . 1 1 35 35 GLY CA C 35 45.230 45.230 45.818 -0.588 25443 11855 1 19 . 1 1 35 35 GLY H H 35 7.302 7.302 7.709 -0.407 25443 11856 1 19 . 1 1 36 36 VAL N N 36 121.596 121.596 120.546 1.050 25443 11857 1 19 . 1 1 36 36 VAL HA H 36 4.492 4.492 4.423 0.069 25443 11858 1 19 . 1 1 36 36 VAL CA C 36 59.912 59.912 59.181 0.731 25443 11859 1 19 . 1 1 36 36 VAL CB C 36 33.632 33.632 34.392 -0.760 25443 11860 1 19 . 1 1 36 36 VAL H H 36 8.595 8.595 7.756 0.839 25443 11861 1 19 . 1 1 37 37 PRO HA H 37 4.499 4.499 4.715 -0.216 25443 11862 1 19 . 1 1 37 37 PRO C C 37 176.150 176.150 175.768 0.382 25443 11863 1 19 . 1 1 37 37 PRO CA C 37 62.320 62.320 62.731 -0.411 25443 11864 1 19 . 1 1 37 37 PRO CB C 37 31.945 31.945 31.376 0.569 25443 11865 1 19 . 1 1 38 38 VAL N N 38 114.135 114.135 123.359 -9.224 25443 11866 1 19 . 1 1 38 38 VAL HA H 38 4.436 4.436 4.551 -0.115 25443 11867 1 19 . 1 1 38 38 VAL C C 38 175.124 175.124 175.151 -0.027 25443 11868 1 19 . 1 1 38 38 VAL CA C 38 60.488 60.488 59.584 0.904 25443 11869 1 19 . 1 1 38 38 VAL CB C 38 32.560 32.560 34.587 -2.027 25443 11870 1 19 . 1 1 38 38 VAL H H 38 9.006 9.006 7.786 1.220 25443 11871 1 19 . 1 1 39 39 ASP N N 39 118.095 118.095 120.754 -2.659 25443 11872 1 19 . 1 1 39 39 ASP HA H 39 4.626 4.626 4.587 0.039 25443 11873 1 19 . 1 1 39 39 ASP C C 39 174.577 174.577 174.723 -0.146 25443 11874 1 19 . 1 1 39 39 ASP CA C 39 54.706 54.706 55.149 -0.443 25443 11875 1 19 . 1 1 39 39 ASP CB C 39 43.495 43.495 41.602 1.893 25443 11876 1 19 . 1 1 39 39 ASP H H 39 7.454 7.454 8.449 -0.995 25443 11877 1 19 . 1 1 40 40 VAL N N 40 121.566 121.566 123.987 -2.421 25443 11878 1 19 . 1 1 40 40 VAL HA H 40 4.897 4.897 4.818 0.079 25443 11879 1 19 . 1 1 40 40 VAL C C 40 170.928 170.928 174.546 -3.618 25443 11880 1 19 . 1 1 40 40 VAL CA C 40 60.729 60.729 60.510 0.219 25443 11881 1 19 . 1 1 40 40 VAL CB C 40 34.373 34.373 34.821 -0.448 25443 11882 1 19 . 1 1 40 40 VAL H H 40 7.576 7.576 8.222 -0.646 25443 11883 1 19 . 1 1 41 41 ILE N N 41 125.247 125.247 129.577 -4.330 25443 11884 1 19 . 1 1 41 41 ILE HA H 41 4.752 4.752 4.712 0.040 25443 11885 1 19 . 1 1 41 41 ILE C C 41 175.440 175.440 174.023 1.417 25443 11886 1 19 . 1 1 41 41 ILE CA C 41 61.609 61.609 60.172 1.437 25443 11887 1 19 . 1 1 41 41 ILE H H 41 8.929 8.929 9.344 -0.415 25443 11888 1 19 . 1 1 42 42 LEU N N 42 128.791 128.791 129.085 -0.294 25443 11889 1 19 . 1 1 42 42 LEU HA H 42 4.387 4.387 4.575 -0.188 25443 11890 1 19 . 1 1 42 42 LEU C C 42 174.979 174.979 175.961 -0.982 25443 11891 1 19 . 1 1 42 42 LEU CA C 42 53.345 53.345 54.200 -0.855 25443 11892 1 19 . 1 1 42 42 LEU CB C 42 43.298 43.298 43.780 -0.482 25443 11893 1 19 . 1 1 42 42 LEU H H 42 8.309 8.309 8.852 -0.543 25443 11894 1 19 . 1 1 43 43 SER N N 43 122.753 122.753 124.201 -1.448 25443 11895 1 19 . 1 1 43 43 SER HA H 43 3.821 3.821 4.205 -0.384 25443 11896 1 19 . 1 1 43 43 SER C C 43 173.870 173.870 173.590 0.280 25443 11897 1 19 . 1 1 43 43 SER CA C 43 59.707 59.707 57.989 1.718 25443 11898 1 19 . 1 1 43 43 SER CB C 43 62.714 62.714 61.528 1.186 25443 11899 1 19 . 1 1 43 43 SER H H 43 8.317 8.317 8.271 0.046 25443 11900 1 19 . 1 1 44 44 ARG N N 44 128.068 128.068 125.374 2.694 25443 11901 1 19 . 1 1 44 44 ARG HA H 44 4.763 4.763 4.688 0.075 25443 11902 1 19 . 1 1 44 44 ARG C C 44 175.094 175.094 175.798 -0.704 25443 11903 1 19 . 1 1 44 44 ARG CA C 44 54.100 54.100 54.674 -0.574 25443 11904 1 19 . 1 1 44 44 ARG CB C 44 34.218 34.218 32.752 1.466 25443 11905 1 19 . 1 1 44 44 ARG H H 44 8.152 8.152 7.542 0.610 25443 11906 1 19 . 1 1 45 45 ASP N N 45 123.595 123.595 123.106 0.489 25443 11907 1 19 . 1 1 45 45 ASP HA H 45 4.172 4.172 4.415 -0.243 25443 11908 1 19 . 1 1 45 45 ASP C C 45 177.467 177.467 177.355 0.112 25443 11909 1 19 . 1 1 45 45 ASP CA C 45 54.898 54.898 54.859 0.039 25443 11910 1 19 . 1 1 45 45 ASP CB C 45 43.568 43.568 42.408 1.160 25443 11911 1 19 . 1 1 45 45 ASP H H 45 8.628 8.628 8.781 -0.153 25443 11912 1 19 . 1 1 46 46 GLU N N 46 125.161 125.161 125.276 -0.115 25443 11913 1 19 . 1 1 46 46 GLU HA H 46 3.843 3.843 4.114 -0.271 25443 11914 1 19 . 1 1 46 46 GLU C C 46 175.690 175.690 176.981 -1.291 25443 11915 1 19 . 1 1 46 46 GLU CA C 46 58.861 58.861 58.737 0.124 25443 11916 1 19 . 1 1 46 46 GLU CB C 46 29.636 29.636 29.682 -0.046 25443 11917 1 19 . 1 1 46 46 GLU H H 46 9.013 9.013 8.841 0.172 25443 11918 1 19 . 1 1 47 47 ASN N N 47 115.135 115.135 116.898 -1.763 25443 11919 1 19 . 1 1 47 47 ASN HA H 47 4.842 4.842 4.604 0.238 25443 11920 1 19 . 1 1 47 47 ASN C C 47 176.655 176.655 177.012 -0.357 25443 11921 1 19 . 1 1 47 47 ASN CA C 47 54.897 54.897 55.450 -0.553 25443 11922 1 19 . 1 1 47 47 ASN CB C 47 40.141 40.141 39.203 0.938 25443 11923 1 19 . 1 1 47 47 ASN H H 47 8.926 8.926 8.350 0.576 25443 11924 1 19 . 1 1 48 48 THR N N 48 107.544 107.544 111.344 -3.800 25443 11925 1 19 . 1 1 48 48 THR HA H 48 4.400 4.400 4.533 -0.133 25443 11926 1 19 . 1 1 48 48 THR C C 48 176.484 176.484 174.882 1.602 25443 11927 1 19 . 1 1 48 48 THR CA C 48 61.513 61.513 62.369 -0.856 25443 11928 1 19 . 1 1 48 48 THR CB C 48 71.189 71.189 71.017 0.172 25443 11929 1 19 . 1 1 48 48 THR H H 48 8.455 8.455 8.934 -0.479 25443 11930 1 19 . 1 1 49 49 GLY N N 49 111.753 111.753 110.684 1.069 25443 11931 1 19 . 1 1 49 49 GLY C C 49 173.167 173.167 173.853 -0.686 25443 11932 1 19 . 1 1 49 49 GLY CA C 49 45.628 45.628 44.747 0.881 25443 11933 1 19 . 1 1 49 49 GLY H H 49 8.607 8.607 8.197 0.410 25443 11934 1 19 . 1 1 50 50 GLU N N 50 119.978 119.978 121.242 -1.264 25443 11935 1 19 . 1 1 50 50 GLU HA H 50 4.071 4.071 4.462 -0.391 25443 11936 1 19 . 1 1 50 50 GLU C C 50 176.629 176.629 176.741 -0.112 25443 11937 1 19 . 1 1 50 50 GLU CA C 50 56.500 56.500 55.390 1.110 25443 11938 1 19 . 1 1 50 50 GLU CB C 50 30.927 30.927 30.540 0.388 25443 11939 1 19 . 1 1 50 50 GLU H H 50 7.796 7.796 7.917 -0.121 25443 11940 1 19 . 1 1 51 51 SER N N 51 115.672 115.672 120.877 -5.205 25443 11941 1 19 . 1 1 51 51 SER HA H 51 4.205 4.205 4.223 -0.018 25443 11942 1 19 . 1 1 51 51 SER C C 51 176.532 176.532 174.723 1.809 25443 11943 1 19 . 1 1 51 51 SER CA C 51 58.320 58.320 59.844 -1.524 25443 11944 1 19 . 1 1 51 51 SER CB C 51 64.596 64.596 62.605 1.991 25443 11945 1 19 . 1 1 51 51 SER H H 51 8.889 8.889 8.681 0.208 25443 11946 1 19 . 1 1 52 52 GLN N N 52 123.139 123.139 124.508 -1.369 25443 11947 1 19 . 1 1 52 52 GLN HA H 52 4.421 4.421 4.306 0.115 25443 11948 1 19 . 1 1 52 52 GLN C C 52 177.396 177.396 177.050 0.346 25443 11949 1 19 . 1 1 52 52 GLN CA C 52 55.051 55.051 56.810 -1.759 25443 11950 1 19 . 1 1 52 52 GLN CB C 52 29.874 29.874 29.308 0.566 25443 11951 1 19 . 1 1 52 52 GLN H H 52 9.078 9.078 8.784 0.294 25443 11952 1 19 . 1 1 53 53 GLY N N 53 105.904 105.904 107.005 -1.101 25443 11953 1 19 . 1 1 53 53 GLY C C 53 172.046 172.046 173.125 -1.079 25443 11954 1 19 . 1 1 53 53 GLY CA C 53 46.550 46.550 44.925 1.625 25443 11955 1 19 . 1 1 53 53 GLY H H 53 8.851 8.851 8.510 0.341 25443 11956 1 19 . 1 1 54 54 PHE N N 54 111.888 111.888 112.511 -0.623 25443 11957 1 19 . 1 1 54 54 PHE HA H 54 5.253 5.253 5.146 0.107 25443 11958 1 19 . 1 1 54 54 PHE C C 54 171.570 171.570 172.604 -1.034 25443 11959 1 19 . 1 1 54 54 PHE CA C 54 55.592 55.592 55.138 0.454 25443 11960 1 19 . 1 1 54 54 PHE CB C 54 40.806 40.806 40.063 0.743 25443 11961 1 19 . 1 1 54 54 PHE H H 54 6.827 6.827 7.242 -0.415 25443 11962 1 19 . 1 1 55 55 ALA N N 55 121.888 121.888 120.385 1.503 25443 11963 1 19 . 1 1 55 55 ALA HA H 55 5.032 5.032 4.718 0.314 25443 11964 1 19 . 1 1 55 55 ALA C C 55 172.957 172.957 174.315 -1.358 25443 11965 1 19 . 1 1 55 55 ALA CA C 55 49.477 49.477 51.055 -1.578 25443 11966 1 19 . 1 1 55 55 ALA H H 55 8.927 8.927 7.928 0.999 25443 11967 1 19 . 1 1 56 56 TYR N N 56 115.049 115.049 116.487 -1.438 25443 11968 1 19 . 1 1 56 56 TYR HA H 56 5.602 5.602 5.757 -0.155 25443 11969 1 19 . 1 1 56 56 TYR C C 56 175.162 175.162 174.306 0.856 25443 11970 1 19 . 1 1 56 56 TYR CA C 56 55.444 55.444 56.524 -1.080 25443 11971 1 19 . 1 1 56 56 TYR CB C 56 42.189 42.189 42.670 -0.481 25443 11972 1 19 . 1 1 56 56 TYR H H 56 9.020 9.020 8.981 0.039 25443 11973 1 19 . 1 1 57 57 LEU N N 57 122.745 122.745 123.088 -0.343 25443 11974 1 19 . 1 1 57 57 LEU HA H 57 4.713 4.713 5.161 -0.448 25443 11975 1 19 . 1 1 57 57 LEU C C 57 172.371 172.371 174.398 -2.027 25443 11976 1 19 . 1 1 57 57 LEU CA C 57 54.712 54.712 54.020 0.692 25443 11977 1 19 . 1 1 57 57 LEU CB C 57 46.754 46.754 46.334 0.420 25443 11978 1 19 . 1 1 57 57 LEU H H 57 8.706 8.706 8.766 -0.060 25443 11979 1 19 . 1 1 58 58 LYS N N 58 125.469 125.469 126.470 -1.001 25443 11980 1 19 . 1 1 58 58 LYS HA H 58 4.467 4.467 4.401 0.066 25443 11981 1 19 . 1 1 58 58 LYS C C 58 175.152 175.152 173.855 1.297 25443 11982 1 19 . 1 1 58 58 LYS CA C 58 54.494 54.494 54.032 0.461 25443 11983 1 19 . 1 1 58 58 LYS CB C 58 36.479 36.479 34.625 1.854 25443 11984 1 19 . 1 1 58 58 LYS H H 58 7.948 7.948 8.877 -0.929 25443 11985 1 19 . 1 1 59 59 TYR N N 59 126.261 126.261 121.073 5.188 25443 11986 1 19 . 1 1 59 59 TYR HA H 59 5.003 5.003 4.696 0.307 25443 11987 1 19 . 1 1 59 59 TYR C C 59 176.020 176.020 174.351 1.669 25443 11988 1 19 . 1 1 59 59 TYR CA C 59 57.992 57.992 54.884 3.108 25443 11989 1 19 . 1 1 59 59 TYR CB C 59 41.715 41.715 40.364 1.351 25443 11990 1 19 . 1 1 59 59 TYR H H 59 8.957 8.957 7.770 1.187 25443 11991 1 19 . 1 1 60 60 GLU N N 60 120.342 120.342 121.029 -0.687 25443 11992 1 19 . 1 1 60 60 GLU HA H 60 3.839 3.839 4.474 -0.635 25443 11993 1 19 . 1 1 60 60 GLU C C 60 175.346 175.346 175.564 -0.218 25443 11994 1 19 . 1 1 60 60 GLU CA C 60 59.057 59.057 56.055 3.002 25443 11995 1 19 . 1 1 60 60 GLU CB C 60 30.653 30.653 29.984 0.669 25443 11996 1 19 . 1 1 60 60 GLU H H 60 8.845 8.845 8.518 0.327 25443 11997 1 19 . 1 1 61 61 ASP N N 61 116.193 116.193 123.425 -7.232 25443 11998 1 19 . 1 1 61 61 ASP HA H 61 4.915 4.915 4.694 0.221 25443 11999 1 19 . 1 1 61 61 ASP C C 61 176.659 176.659 175.499 1.160 25443 12000 1 19 . 1 1 61 61 ASP CA C 61 51.856 51.856 54.425 -2.569 25443 12001 1 19 . 1 1 61 61 ASP CB C 61 43.726 43.726 42.652 1.074 25443 12002 1 19 . 1 1 61 61 ASP H H 61 7.922 7.922 8.125 -0.203 25443 12003 1 19 . 1 1 62 62 GLN N N 62 125.812 125.812 123.155 2.657 25443 12004 1 19 . 1 1 62 62 GLN HA H 62 4.221 4.221 4.143 0.078 25443 12005 1 19 . 1 1 62 62 GLN C C 62 178.430 178.430 177.392 1.038 25443 12006 1 19 . 1 1 62 62 GLN CA C 62 58.449 58.449 59.032 -0.583 25443 12007 1 19 . 1 1 62 62 GLN CB C 62 28.076 28.076 29.091 -1.015 25443 12008 1 19 . 1 1 62 62 GLN H H 62 8.964 8.964 8.648 0.316 25443 12009 1 19 . 1 1 63 63 ARG N N 63 120.943 120.943 119.661 1.282 25443 12010 1 19 . 1 1 63 63 ARG HA H 63 3.979 3.979 4.124 -0.145 25443 12011 1 19 . 1 1 63 63 ARG C C 63 179.350 179.350 178.440 0.910 25443 12012 1 19 . 1 1 63 63 ARG CA C 63 59.398 59.398 58.330 1.068 25443 12013 1 19 . 1 1 63 63 ARG CB C 63 29.466 29.466 29.629 -0.163 25443 12014 1 19 . 1 1 63 63 ARG H H 63 8.965 8.965 8.535 0.430 25443 12015 1 19 . 1 1 64 64 SER N N 64 115.358 115.358 113.829 1.529 25443 12016 1 19 . 1 1 64 64 SER HA H 64 3.898 3.898 4.140 -0.242 25443 12017 1 19 . 1 1 64 64 SER C C 64 174.444 174.444 176.069 -1.625 25443 12018 1 19 . 1 1 64 64 SER CA C 64 62.459 62.459 61.989 0.470 25443 12019 1 19 . 1 1 64 64 SER CB C 64 62.040 62.040 62.742 -0.702 25443 12020 1 19 . 1 1 64 64 SER H H 64 8.065 8.065 9.206 -1.141 25443 12021 1 19 . 1 1 65 65 THR N N 65 113.614 113.614 114.749 -1.135 25443 12022 1 19 . 1 1 65 65 THR HA H 65 3.751 3.751 4.545 -0.794 25443 12023 1 19 . 1 1 65 65 THR C C 65 175.357 175.357 176.657 -1.300 25443 12024 1 19 . 1 1 65 65 THR CA C 65 66.292 66.292 65.384 0.908 25443 12025 1 19 . 1 1 65 65 THR CB C 65 68.457 68.457 69.064 -0.607 25443 12026 1 19 . 1 1 65 65 THR H H 65 7.484 7.484 7.714 -0.230 25443 12027 1 19 . 1 1 66 66 ILE N N 66 120.736 120.736 122.355 -1.619 25443 12028 1 19 . 1 1 66 66 ILE HA H 66 3.653 3.653 3.883 -0.230 25443 12029 1 19 . 1 1 66 66 ILE C C 66 177.518 177.518 177.532 -0.014 25443 12030 1 19 . 1 1 66 66 ILE CA C 66 64.014 64.014 64.291 -0.277 25443 12031 1 19 . 1 1 66 66 ILE CB C 66 42.194 42.194 37.732 4.462 25443 12032 1 19 . 1 1 66 66 ILE H H 66 6.976 6.976 7.609 -0.633 25443 12033 1 19 . 1 1 67 67 LEU N N 67 117.584 117.584 122.775 -5.191 25443 12034 1 19 . 1 1 67 67 LEU HA H 67 3.921 3.921 3.880 0.041 25443 12035 1 19 . 1 1 67 67 LEU C C 67 179.650 179.650 177.793 1.857 25443 12036 1 19 . 1 1 67 67 LEU CA C 67 57.452 57.452 58.358 -0.905 25443 12037 1 19 . 1 1 67 67 LEU CB C 67 42.172 42.172 41.409 0.763 25443 12038 1 19 . 1 1 67 67 LEU H H 67 7.006 7.006 8.005 -0.999 25443 12039 1 19 . 1 1 68 68 ALA N N 68 121.025 121.025 120.378 0.647 25443 12040 1 19 . 1 1 68 68 ALA HA H 68 3.285 3.285 3.949 -0.664 25443 12041 1 19 . 1 1 68 68 ALA C C 68 179.216 179.216 179.674 -0.458 25443 12042 1 19 . 1 1 68 68 ALA CA C 68 55.564 55.564 55.147 0.417 25443 12043 1 19 . 1 1 68 68 ALA CB C 68 18.852 18.852 18.356 0.496 25443 12044 1 19 . 1 1 68 68 ALA H H 68 8.121 8.121 8.116 0.005 25443 12045 1 19 . 1 1 69 69 VAL N N 69 117.799 117.799 118.779 -0.980 25443 12046 1 19 . 1 1 69 69 VAL HA H 69 3.243 3.243 3.588 -0.345 25443 12047 1 19 . 1 1 69 69 VAL C C 69 178.541 178.541 178.082 0.459 25443 12048 1 19 . 1 1 69 69 VAL CA C 69 67.237 67.237 67.620 -0.383 25443 12049 1 19 . 1 1 69 69 VAL CB C 69 31.679 31.679 31.754 -0.075 25443 12050 1 19 . 1 1 69 69 VAL H H 69 8.012 8.012 7.712 0.300 25443 12051 1 19 . 1 1 70 70 ASP N N 70 117.013 117.013 117.351 -0.338 25443 12052 1 19 . 1 1 70 70 ASP HA H 70 4.339 4.339 4.404 -0.065 25443 12053 1 19 . 1 1 70 70 ASP C C 70 178.330 178.330 177.445 0.885 25443 12054 1 19 . 1 1 70 70 ASP CA C 70 57.131 57.131 56.874 0.257 25443 12055 1 19 . 1 1 70 70 ASP CB C 70 40.465 40.465 41.333 -0.868 25443 12056 1 19 . 1 1 70 70 ASP H H 70 8.216 8.216 8.493 -0.277 25443 12057 1 19 . 1 1 71 71 ASN N N 71 112.777 112.777 116.445 -3.668 25443 12058 1 19 . 1 1 71 71 ASN HA H 71 4.587 4.587 4.687 -0.100 25443 12059 1 19 . 1 1 71 71 ASN C C 71 176.314 176.314 176.998 -0.684 25443 12060 1 19 . 1 1 71 71 ASN CA C 71 55.474 55.474 55.002 0.472 25443 12061 1 19 . 1 1 71 71 ASN CB C 71 40.592 40.592 39.369 1.223 25443 12062 1 19 . 1 1 71 71 ASN H H 71 7.582 7.582 8.132 -0.550 25443 12063 1 19 . 1 1 72 72 LEU N N 72 116.551 116.551 117.877 -1.326 25443 12064 1 19 . 1 1 72 72 LEU HA H 72 4.494 4.494 4.359 0.135 25443 12065 1 19 . 1 1 72 72 LEU C C 72 177.500 177.500 176.471 1.029 25443 12066 1 19 . 1 1 72 72 LEU CA C 72 54.590 54.590 55.072 -0.481 25443 12067 1 19 . 1 1 72 72 LEU CB C 72 42.862 42.862 41.267 1.595 25443 12068 1 19 . 1 1 72 72 LEU H H 72 8.201 8.201 8.201 0.000 25443 12069 1 19 . 1 1 73 73 ASN N N 73 118.974 118.974 118.654 0.320 25443 12070 1 19 . 1 1 73 73 ASN HA H 73 4.392 4.392 4.785 -0.393 25443 12071 1 19 . 1 1 73 73 ASN C C 73 177.151 177.151 176.785 0.366 25443 12072 1 19 . 1 1 73 73 ASN CA C 73 56.276 56.276 55.001 1.275 25443 12073 1 19 . 1 1 73 73 ASN CB C 73 38.853 38.853 37.998 0.855 25443 12074 1 19 . 1 1 73 73 ASN H H 73 7.406 7.406 7.710 -0.304 25443 12075 1 19 . 1 1 74 74 GLY N N 74 116.478 116.478 114.321 2.157 25443 12076 1 19 . 1 1 74 74 GLY C C 74 172.756 172.756 174.636 -1.880 25443 12077 1 19 . 1 1 74 74 GLY CA C 74 45.662 45.662 44.917 0.745 25443 12078 1 19 . 1 1 74 74 GLY H H 74 9.106 9.106 8.759 0.347 25443 12079 1 19 . 1 1 75 75 PHE N N 75 123.853 123.853 122.961 0.892 25443 12080 1 19 . 1 1 75 75 PHE HA H 75 4.328 4.328 4.434 -0.106 25443 12081 1 19 . 1 1 75 75 PHE C C 75 175.065 175.065 174.803 0.262 25443 12082 1 19 . 1 1 75 75 PHE CA C 75 58.371 58.371 58.110 0.261 25443 12083 1 19 . 1 1 75 75 PHE CB C 75 40.947 40.947 40.155 0.792 25443 12084 1 19 . 1 1 75 75 PHE H H 75 8.074 8.074 8.149 -0.075 25443 12085 1 19 . 1 1 76 76 LYS N N 76 126.700 126.700 128.112 -1.412 25443 12086 1 19 . 1 1 76 76 LYS HA H 76 4.536 4.536 5.041 -0.505 25443 12087 1 19 . 1 1 76 76 LYS C C 76 175.395 175.395 175.839 -0.444 25443 12088 1 19 . 1 1 76 76 LYS CA C 76 56.227 56.227 55.152 1.075 25443 12089 1 19 . 1 1 76 76 LYS CB C 76 32.969 32.969 32.038 0.931 25443 12090 1 19 . 1 1 76 76 LYS H H 76 7.766 7.766 7.846 -0.080 25443 12091 1 19 . 1 1 77 77 ILE N N 77 120.686 120.686 124.421 -3.735 25443 12092 1 19 . 1 1 77 77 ILE HA H 77 4.231 4.231 4.113 0.118 25443 12093 1 19 . 1 1 77 77 ILE C C 77 177.605 177.605 176.218 1.387 25443 12094 1 19 . 1 1 77 77 ILE CA C 77 59.981 59.981 60.906 -0.925 25443 12095 1 19 . 1 1 77 77 ILE CB C 77 40.409 40.409 40.103 0.306 25443 12096 1 19 . 1 1 77 77 ILE H H 77 8.005 8.005 8.980 -0.975 25443 12097 1 19 . 1 1 78 78 GLY N N 78 118.352 118.352 115.824 2.528 25443 12098 1 19 . 1 1 78 78 GLY C C 78 175.639 175.639 175.342 0.297 25443 12099 1 19 . 1 1 78 78 GLY CA C 78 47.227 47.227 45.160 2.067 25443 12100 1 19 . 1 1 78 78 GLY H H 78 9.800 9.800 9.054 0.746 25443 12101 1 19 . 1 1 79 79 GLY N N 79 104.167 104.167 102.667 1.500 25443 12102 1 19 . 1 1 79 79 GLY C C 79 173.371 173.371 174.374 -1.003 25443 12103 1 19 . 1 1 79 79 GLY CA C 79 45.037 45.037 45.170 -0.133 25443 12104 1 19 . 1 1 79 79 GLY H H 79 8.795 8.795 8.352 0.443 25443 12105 1 19 . 1 1 80 80 ARG N N 80 119.090 119.090 121.208 -2.118 25443 12106 1 19 . 1 1 80 80 ARG HA H 80 4.590 4.590 4.755 -0.165 25443 12107 1 19 . 1 1 80 80 ARG C C 80 174.563 174.563 174.562 0.001 25443 12108 1 19 . 1 1 80 80 ARG CA C 80 54.615 54.615 53.767 0.848 25443 12109 1 19 . 1 1 80 80 ARG CB C 80 33.487 33.487 32.057 1.430 25443 12110 1 19 . 1 1 80 80 ARG H H 80 7.281 7.281 7.732 -0.451 25443 12111 1 19 . 1 1 81 81 ALA N N 81 126.039 126.039 124.453 1.586 25443 12112 1 19 . 1 1 81 81 ALA HA H 81 4.216 4.216 5.112 -0.896 25443 12113 1 19 . 1 1 81 81 ALA C C 81 177.149 177.149 177.232 -0.083 25443 12114 1 19 . 1 1 81 81 ALA CA C 81 51.081 51.081 50.166 0.915 25443 12115 1 19 . 1 1 81 81 ALA CB C 81 19.226 19.226 20.335 -1.109 25443 12116 1 19 . 1 1 81 81 ALA H H 81 8.651 8.651 8.431 0.220 25443 12117 1 19 . 1 1 82 82 LEU N N 82 125.451 125.451 125.589 -0.138 25443 12118 1 19 . 1 1 82 82 LEU HA H 82 4.390 4.390 4.253 0.137 25443 12119 1 19 . 1 1 82 82 LEU C C 82 177.498 177.498 176.709 0.789 25443 12120 1 19 . 1 1 82 82 LEU CA C 82 56.065 56.065 54.951 1.114 25443 12121 1 19 . 1 1 82 82 LEU CB C 82 43.267 43.267 41.670 1.597 25443 12122 1 19 . 1 1 82 82 LEU H H 82 8.805 8.805 8.851 -0.046 25443 12123 1 19 . 1 1 83 83 LYS N N 83 123.253 123.253 126.651 -3.398 25443 12124 1 19 . 1 1 83 83 LYS C C 83 174.892 174.892 175.286 -0.394 25443 12125 1 19 . 1 1 83 83 LYS CA C 83 54.892 54.892 55.683 -0.791 25443 12126 1 19 . 1 1 83 83 LYS H H 83 7.768 7.768 8.325 -0.557 25443 12127 1 19 . 1 1 84 84 ILE N N 84 125.577 125.577 125.349 0.228 25443 12128 1 19 . 1 1 84 84 ILE HA H 84 5.581 5.581 5.435 0.146 25443 12129 1 19 . 1 1 84 84 ILE C C 84 174.901 174.901 175.458 -0.557 25443 12130 1 19 . 1 1 84 84 ILE CA C 84 58.803 58.803 58.294 0.509 25443 12131 1 19 . 1 1 84 84 ILE CB C 84 40.306 40.306 39.268 1.038 25443 12132 1 19 . 1 1 84 84 ILE H H 84 8.616 8.616 8.259 0.357 25443 12133 1 19 . 1 1 85 85 ASP N N 85 125.373 125.373 124.885 0.488 25443 12134 1 19 . 1 1 85 85 ASP HA H 85 4.909 4.909 4.801 0.108 25443 12135 1 19 . 1 1 85 85 ASP C C 85 174.826 174.826 174.068 0.758 25443 12136 1 19 . 1 1 85 85 ASP CA C 85 52.372 52.372 52.358 0.014 25443 12137 1 19 . 1 1 85 85 ASP CB C 85 45.290 45.290 44.267 1.023 25443 12138 1 19 . 1 1 85 85 ASP H H 85 8.907 8.907 8.613 0.294 25443 12139 1 19 . 1 1 86 86 HIS N N 86 121.396 121.396 119.069 2.327 25443 12140 1 19 . 1 1 86 86 HIS CA C 86 57.540 57.540 56.792 0.748 25443 12141 1 19 . 1 1 86 86 HIS CB C 86 30.985 30.985 31.837 -0.852 25443 12142 1 19 . 1 1 86 86 HIS H H 86 8.970 8.970 8.565 0.405 25443 12143 1 19 . 1 1 87 87 THR N N 87 116.761 116.761 115.783 0.978 25443 12144 1 19 . 1 1 87 87 THR HA H 87 4.652 4.652 4.614 0.038 25443 12145 1 19 . 1 1 87 87 THR C C 87 171.272 171.272 172.899 -1.627 25443 12146 1 19 . 1 1 87 87 THR CA C 87 60.710 60.710 61.219 -0.509 25443 12147 1 19 . 1 1 87 87 THR CB C 87 69.764 69.764 70.701 -0.937 25443 12148 1 19 . 1 1 87 87 THR H H 87 8.557 8.557 8.850 -0.293 25443 12149 1 19 . 1 1 88 88 PHE N N 88 120.343 120.343 125.775 -5.432 25443 12150 1 19 . 1 1 88 88 PHE HA H 88 5.273 5.273 4.867 0.406 25443 12151 1 19 . 1 1 88 88 PHE C C 88 174.288 174.288 173.417 0.871 25443 12152 1 19 . 1 1 88 88 PHE CA C 88 55.959 55.959 56.924 -0.965 25443 12153 1 19 . 1 1 88 88 PHE CB C 88 41.079 41.079 40.403 0.676 25443 12154 1 19 . 1 1 88 88 PHE H H 88 8.114 8.114 8.556 -0.442 25443 12155 1 19 . 1 1 89 89 TYR N N 89 123.043 123.043 128.099 -5.056 25443 12156 1 19 . 1 1 89 89 TYR HA H 89 4.026 4.026 4.102 -0.076 25443 12157 1 19 . 1 1 89 89 TYR C C 89 173.155 173.155 172.999 0.156 25443 12158 1 19 . 1 1 89 89 TYR CA C 89 57.493 57.493 56.663 0.830 25443 12159 1 19 . 1 1 89 89 TYR CB C 89 39.829 39.829 41.129 -1.300 25443 12160 1 19 . 1 1 89 89 TYR H H 89 8.176 8.176 7.956 0.220 25443 12161 1 19 . 1 1 90 90 ARG N N 90 129.004 129.004 124.845 4.159 25443 12162 1 19 . 1 1 90 90 ARG HA H 90 4.398 4.398 4.371 0.027 25443 12163 1 19 . 1 1 90 90 ARG CA C 90 51.548 51.548 51.556 -0.008 25443 12164 1 19 . 1 1 90 90 ARG CB C 90 30.882 30.882 30.899 -0.017 25443 12165 1 19 . 1 1 90 90 ARG H H 90 7.078 7.078 7.492 -0.414 25443 12166 1 19 . 1 1 91 91 PRO HA H 91 4.155 4.155 4.300 -0.145 25443 12167 1 19 . 1 1 91 91 PRO C C 91 176.340 176.340 176.495 -0.155 25443 12168 1 19 . 1 1 91 91 PRO CA C 91 62.454 62.454 63.043 -0.589 25443 12169 1 19 . 1 1 91 91 PRO CB C 91 33.072 33.072 31.823 1.249 25443 12170 1 19 . 1 1 92 92 LYS N N 92 119.682 119.682 124.425 -4.743 25443 12171 1 19 . 1 1 92 92 LYS CA C 92 54.711 54.711 54.309 0.403 25443 12172 1 19 . 1 1 92 92 LYS H H 92 8.644 8.644 8.867 -0.223 25443 12173 1 19 . 1 1 93 93 ARG C C 93 178.899 178.899 177.815 1.084 25443 12174 1 19 . 1 1 93 93 ARG CA C 93 59.125 59.125 59.226 -0.101 25443 12175 1 19 . 1 1 94 94 SER N N 94 112.166 112.166 114.065 -1.899 25443 12176 1 19 . 1 1 94 94 SER HA H 94 4.176 4.176 4.308 -0.132 25443 12177 1 19 . 1 1 94 94 SER C C 94 175.776 175.776 175.059 0.717 25443 12178 1 19 . 1 1 94 94 SER CA C 94 60.031 60.031 60.036 -0.005 25443 12179 1 19 . 1 1 94 94 SER CB C 94 62.152 62.152 63.025 -0.873 25443 12180 1 19 . 1 1 94 94 SER H H 94 8.299 8.299 8.329 -0.030 25443 12181 1 19 . 1 1 95 95 LEU N N 95 122.179 122.179 120.740 1.439 25443 12182 1 19 . 1 1 95 95 LEU HA H 95 4.651 4.651 4.528 0.123 25443 12183 1 19 . 1 1 95 95 LEU C C 95 175.381 175.381 176.505 -1.124 25443 12184 1 19 . 1 1 95 95 LEU CA C 95 53.934 53.934 53.207 0.727 25443 12185 1 19 . 1 1 95 95 LEU CB C 95 41.861 41.861 40.727 1.134 25443 12186 1 19 . 1 1 95 95 LEU H H 95 7.159 7.159 7.480 -0.321 25443 12187 1 19 . 1 1 96 96 GLN N N 96 118.834 118.834 120.270 -1.436 25443 12188 1 19 . 1 1 96 96 GLN HA H 96 4.030 4.030 4.104 -0.074 25443 12189 1 19 . 1 1 96 96 GLN C C 96 177.751 177.751 177.567 0.184 25443 12190 1 19 . 1 1 96 96 GLN CA C 96 60.705 60.705 59.135 1.570 25443 12191 1 19 . 1 1 96 96 GLN CB C 96 28.822 28.822 28.280 0.542 25443 12192 1 19 . 1 1 96 96 GLN H H 96 7.329 7.329 7.638 -0.309 25443 12193 1 19 . 1 1 97 97 LYS N N 97 116.469 116.469 119.930 -3.461 25443 12194 1 19 . 1 1 97 97 LYS HA H 97 4.060 4.060 3.999 0.061 25443 12195 1 19 . 1 1 97 97 LYS C C 97 179.164 179.164 178.881 0.283 25443 12196 1 19 . 1 1 97 97 LYS CA C 97 59.430 59.430 58.791 0.639 25443 12197 1 19 . 1 1 97 97 LYS CB C 97 31.511 31.511 31.482 0.029 25443 12198 1 19 . 1 1 97 97 LYS H H 97 8.614 8.614 8.317 0.297 25443 12199 1 19 . 1 1 98 98 TYR N N 98 124.165 124.165 120.832 3.333 25443 12200 1 19 . 1 1 98 98 TYR HA H 98 4.079 4.079 4.069 0.010 25443 12201 1 19 . 1 1 98 98 TYR C C 98 177.316 177.316 178.280 -0.964 25443 12202 1 19 . 1 1 98 98 TYR CA C 98 62.205 62.205 62.041 0.164 25443 12203 1 19 . 1 1 98 98 TYR CB C 98 37.162 37.162 38.222 -1.060 25443 12204 1 19 . 1 1 98 98 TYR H H 98 7.585 7.585 7.522 0.063 25443 12205 1 19 . 1 1 99 99 TYR N N 99 117.955 117.955 117.083 0.872 25443 12206 1 19 . 1 1 99 99 TYR HA H 99 5.078 5.078 4.226 0.852 25443 12207 1 19 . 1 1 99 99 TYR C C 99 180.957 180.957 178.665 2.292 25443 12208 1 19 . 1 1 99 99 TYR CA C 99 57.741 57.741 59.754 -2.013 25443 12209 1 19 . 1 1 99 99 TYR CB C 99 37.083 37.083 37.498 -0.415 25443 12210 1 19 . 1 1 99 99 TYR H H 99 8.660 8.660 7.741 0.919 25443 12211 1 19 . 1 1 100 100 GLU N N 100 118.796 118.796 118.928 -0.132 25443 12212 1 19 . 1 1 100 100 GLU HA H 100 4.024 4.024 4.006 0.018 25443 12213 1 19 . 1 1 100 100 GLU C C 100 178.571 178.571 179.132 -0.561 25443 12214 1 19 . 1 1 100 100 GLU CA C 100 59.400 59.400 59.135 0.265 25443 12215 1 19 . 1 1 100 100 GLU CB C 100 29.660 29.660 29.013 0.647 25443 12216 1 19 . 1 1 100 100 GLU H H 100 8.263 8.263 8.485 -0.222 25443 12217 1 19 . 1 1 101 101 ALA N N 101 123.346 123.346 121.874 1.472 25443 12218 1 19 . 1 1 101 101 ALA HA H 101 4.244 4.244 4.104 0.140 25443 12219 1 19 . 1 1 101 101 ALA C C 101 181.331 181.331 180.076 1.255 25443 12220 1 19 . 1 1 101 101 ALA CA C 101 54.851 54.851 55.027 -0.176 25443 12221 1 19 . 1 1 101 101 ALA CB C 101 18.559 18.559 18.313 0.246 25443 12222 1 19 . 1 1 101 101 ALA H H 101 7.966 7.966 8.187 -0.221 25443 12223 1 19 . 1 1 102 102 VAL N N 102 120.241 120.241 119.084 1.157 25443 12224 1 19 . 1 1 102 102 VAL HA H 102 3.713 3.713 3.565 0.148 25443 12225 1 19 . 1 1 102 102 VAL C C 102 176.967 176.967 177.596 -0.629 25443 12226 1 19 . 1 1 102 102 VAL CA C 102 67.433 67.433 66.548 0.885 25443 12227 1 19 . 1 1 102 102 VAL CB C 102 31.721 31.721 31.418 0.303 25443 12228 1 19 . 1 1 102 102 VAL H H 102 8.331 8.331 7.701 0.630 25443 12229 1 19 . 1 1 103 103 LYS N N 103 120.001 120.001 120.750 -0.749 25443 12230 1 19 . 1 1 103 103 LYS HA H 103 3.859 3.859 3.913 -0.053 25443 12231 1 19 . 1 1 103 103 LYS C C 103 178.500 178.500 178.598 -0.098 25443 12232 1 19 . 1 1 103 103 LYS CA C 103 59.652 59.652 60.172 -0.520 25443 12233 1 19 . 1 1 103 103 LYS CB C 103 32.040 32.040 32.440 -0.400 25443 12234 1 19 . 1 1 103 103 LYS H H 103 8.201 8.201 8.416 -0.215 25443 12235 1 19 . 1 1 104 104 GLU N N 104 116.335 116.335 116.947 -0.612 25443 12236 1 19 . 1 1 104 104 GLU HA H 104 3.928 3.928 4.075 -0.147 25443 12237 1 19 . 1 1 104 104 GLU C C 104 178.645 178.645 178.903 -0.258 25443 12238 1 19 . 1 1 104 104 GLU CA C 104 59.110 59.110 59.044 0.066 25443 12239 1 19 . 1 1 104 104 GLU CB C 104 29.607 29.607 29.029 0.578 25443 12240 1 19 . 1 1 104 104 GLU H H 104 7.909 7.909 8.114 -0.205 25443 12241 1 19 . 1 1 105 105 GLU N N 105 119.210 119.210 121.142 -1.932 25443 12242 1 19 . 1 1 105 105 GLU HA H 105 3.844 3.844 4.116 -0.272 25443 12243 1 19 . 1 1 105 105 GLU C C 105 178.613 178.613 178.913 -0.300 25443 12244 1 19 . 1 1 105 105 GLU CA C 105 58.162 58.162 58.588 -0.426 25443 12245 1 19 . 1 1 105 105 GLU CB C 105 29.754 29.754 29.400 0.354 25443 12246 1 19 . 1 1 105 105 GLU H H 105 7.257 7.257 7.544 -0.287 25443 12247 1 19 . 1 1 106 106 LEU N N 106 117.408 117.408 118.965 -1.557 25443 12248 1 19 . 1 1 106 106 LEU HA H 106 3.976 3.976 3.964 0.012 25443 12249 1 19 . 1 1 106 106 LEU C C 106 178.646 178.646 178.658 -0.012 25443 12250 1 19 . 1 1 106 106 LEU CA C 106 56.699 56.699 57.784 -1.085 25443 12251 1 19 . 1 1 106 106 LEU CB C 106 40.455 40.455 41.620 -1.165 25443 12252 1 19 . 1 1 106 106 LEU H H 106 8.169 8.169 8.461 -0.292 25443 12253 1 19 . 1 1 107 107 ASP N N 107 119.073 119.073 120.181 -1.108 25443 12254 1 19 . 1 1 107 107 ASP HA H 107 4.521 4.521 4.321 0.200 25443 12255 1 19 . 1 1 107 107 ASP C C 107 177.069 177.069 178.243 -1.174 25443 12256 1 19 . 1 1 107 107 ASP CA C 107 55.099 55.099 57.928 -2.829 25443 12257 1 19 . 1 1 107 107 ASP CB C 107 40.670 40.670 40.983 -0.313 25443 12258 1 19 . 1 1 107 107 ASP H H 107 8.003 8.003 8.301 -0.298 25443 12259 1 19 . 1 1 108 108 ARG N N 108 120.705 120.705 115.480 5.225 25443 12260 1 19 . 1 1 108 108 ARG HA H 108 4.067 4.067 4.479 -0.412 25443 12261 1 19 . 1 1 108 108 ARG C C 108 176.990 176.990 177.512 -0.522 25443 12262 1 19 . 1 1 108 108 ARG CA C 108 57.517 57.517 57.334 0.183 25443 12263 1 19 . 1 1 108 108 ARG CB C 108 30.407 30.407 29.528 0.879 25443 12264 1 19 . 1 1 108 108 ARG H H 108 7.603 7.603 7.900 -0.297 25443 12265 1 19 . 1 1 109 109 ASP N N 109 120.246 120.246 119.970 0.276 25443 12266 1 19 . 1 1 109 109 ASP HA H 109 4.521 4.521 4.551 -0.030 25443 12267 1 19 . 1 1 109 109 ASP C C 109 176.630 176.630 178.033 -1.403 25443 12268 1 19 . 1 1 109 109 ASP CA C 109 55.028 55.028 56.118 -1.090 25443 12269 1 19 . 1 1 109 109 ASP CB C 109 40.936 40.936 41.328 -0.392 25443 12270 1 19 . 1 1 109 109 ASP H H 109 8.226 8.226 7.662 0.564 25443 12271 1 19 . 1 1 110 110 ILE N N 110 120.386 120.386 119.698 0.688 25443 12272 1 19 . 1 1 110 110 ILE HA H 110 3.987 3.987 3.890 0.097 25443 12273 1 19 . 1 1 110 110 ILE C C 110 176.996 176.996 176.572 0.424 25443 12274 1 19 . 1 1 110 110 ILE CA C 110 62.241 62.241 63.842 -1.601 25443 12275 1 19 . 1 1 110 110 ILE CB C 110 38.359 38.359 38.931 -0.572 25443 12276 1 19 . 1 1 110 110 ILE H H 110 7.863 7.863 8.013 -0.150 25443 12277 1 19 . 1 1 111 111 VAL N N 111 122.548 122.548 118.377 4.171 25443 12278 1 19 . 1 1 111 111 VAL HA H 111 3.946 3.946 4.335 -0.389 25443 12279 1 19 . 1 1 111 111 VAL C C 111 176.938 176.938 173.928 3.010 25443 12280 1 19 . 1 1 111 111 VAL CA C 111 63.499 63.499 61.114 2.385 25443 12281 1 19 . 1 1 111 111 VAL CB C 111 32.223 32.223 33.907 -1.683 25443 12282 1 19 . 1 1 111 111 VAL H H 111 8.016 8.016 7.578 0.438 25443 12283 1 19 . 1 1 112 112 SER N N 112 117.984 117.984 122.709 -4.725 25443 12284 1 19 . 1 1 112 112 SER HA H 112 4.317 4.317 4.833 -0.516 25443 12285 1 19 . 1 1 112 112 SER C C 112 175.154 175.154 174.276 0.878 25443 12286 1 19 . 1 1 112 112 SER CA C 112 59.025 59.025 57.284 1.741 25443 12287 1 19 . 1 1 112 112 SER CB C 112 63.419 63.419 64.341 -0.922 25443 12288 1 19 . 1 1 112 112 SER H H 112 8.187 8.187 8.418 -0.231 25443 12289 1 19 . 1 1 113 113 LYS N N 113 122.727 122.727 121.480 1.247 25443 12290 1 19 . 1 1 113 113 LYS HA H 113 4.209 4.209 4.378 -0.169 25443 12291 1 19 . 1 1 113 113 LYS C C 113 176.713 176.713 177.111 -0.398 25443 12292 1 19 . 1 1 113 113 LYS CA C 113 56.844 56.844 56.512 0.332 25443 12293 1 19 . 1 1 113 113 LYS CB C 113 32.794 32.794 32.749 0.045 25443 12294 1 19 . 1 1 113 113 LYS H H 113 8.152 8.152 8.561 -0.409 25443 12295 1 19 . 1 1 114 114 ASN N N 114 118.886 118.886 123.153 -4.267 25443 12296 1 19 . 1 1 114 114 ASN C C 114 175.227 175.227 175.981 -0.754 25443 12297 1 19 . 1 1 114 114 ASN CA C 114 53.549 53.549 54.133 -0.584 25443 12298 1 19 . 1 1 114 114 ASN H H 114 8.261 8.261 8.961 -0.700 25443 12299 1 19 . 1 1 115 115 ASN N N 115 119.345 119.345 119.365 -0.020 25443 12300 1 19 . 1 1 115 115 ASN C C 115 174.896 174.896 176.035 -1.139 25443 12301 1 19 . 1 1 115 115 ASN CA C 115 53.476 53.476 56.465 -2.989 25443 12302 1 19 . 1 1 115 115 ASN H H 115 8.257 8.257 8.492 -0.235 25443 12303 1 19 . 1 1 116 116 ALA N N 116 123.669 123.669 119.567 4.102 25443 12304 1 19 . 1 1 116 116 ALA HA H 116 4.254 4.254 4.492 -0.238 25443 12305 1 19 . 1 1 116 116 ALA C C 116 177.567 177.567 177.579 -0.012 25443 12306 1 19 . 1 1 116 116 ALA CA C 116 52.678 52.678 52.719 -0.041 25443 12307 1 19 . 1 1 116 116 ALA CB C 116 19.243 19.243 18.982 0.261 25443 12308 1 19 . 1 1 116 116 ALA H H 116 8.094 8.094 8.040 0.054 25443 12309 1 19 . 1 1 117 117 GLU N N 117 120.083 120.083 119.324 0.759 25443 12310 1 19 . 1 1 117 117 GLU C C 117 175.564 175.564 177.331 -1.767 25443 12311 1 19 . 1 1 117 117 GLU CA C 117 56.602 56.602 57.260 -0.658 25443 12312 1 19 . 1 1 117 117 GLU H H 117 8.221 8.221 7.662 0.559 25443 12313 1 20 . 1 1 2 2 ALA HA H 2 4.286 4.286 4.364 -0.078 25443 12314 1 20 . 1 1 2 2 ALA C C 2 177.853 177.853 179.497 -1.644 25443 12315 1 20 . 1 1 2 2 ALA CA C 2 52.661 52.661 53.556 -0.895 25443 12316 1 20 . 1 1 2 2 ALA CB C 2 19.308 19.308 19.338 -0.030 25443 12317 1 20 . 1 1 3 3 MET N N 3 119.404 119.404 117.085 2.319 25443 12318 1 20 . 1 1 3 3 MET HA H 3 4.435 4.435 4.590 -0.155 25443 12319 1 20 . 1 1 3 3 MET C C 3 176.731 176.731 177.313 -0.582 25443 12320 1 20 . 1 1 3 3 MET CA C 3 55.503 55.503 55.647 -0.144 25443 12321 1 20 . 1 1 3 3 MET CB C 3 32.795 32.795 32.479 0.316 25443 12322 1 20 . 1 1 3 3 MET H H 3 8.530 8.530 8.255 0.275 25443 12323 1 20 . 1 1 4 4 GLY N N 4 109.968 109.968 106.744 3.224 25443 12324 1 20 . 1 1 4 4 GLY C C 4 174.057 174.057 174.255 -0.198 25443 12325 1 20 . 1 1 4 4 GLY CA C 4 45.363 45.363 44.974 0.389 25443 12326 1 20 . 1 1 4 4 GLY H H 4 8.414 8.414 8.009 0.405 25443 12327 1 20 . 1 1 5 5 ASN N N 5 118.659 118.659 117.635 1.024 25443 12328 1 20 . 1 1 5 5 ASN HA H 5 4.606 4.606 4.308 0.298 25443 12329 1 20 . 1 1 5 5 ASN C C 5 175.443 175.443 175.513 -0.070 25443 12330 1 20 . 1 1 5 5 ASN CA C 5 53.530 53.530 54.160 -0.630 25443 12331 1 20 . 1 1 5 5 ASN CB C 5 38.876 38.876 38.126 0.750 25443 12332 1 20 . 1 1 5 5 ASN H H 5 8.326 8.326 8.393 -0.067 25443 12333 1 20 . 1 1 6 6 GLU N N 6 120.909 120.909 118.095 2.814 25443 12334 1 20 . 1 1 6 6 GLU HA H 6 4.097 4.097 4.305 -0.208 25443 12335 1 20 . 1 1 6 6 GLU C C 6 176.261 176.261 174.766 1.495 25443 12336 1 20 . 1 1 6 6 GLU CA C 6 57.171 57.171 55.774 1.397 25443 12337 1 20 . 1 1 6 6 GLU CB C 6 29.715 29.715 29.991 -0.276 25443 12338 1 20 . 1 1 6 6 GLU H H 6 8.633 8.633 7.999 0.634 25443 12339 1 20 . 1 1 7 7 TYR N N 7 120.283 120.283 114.796 5.487 25443 12340 1 20 . 1 1 7 7 TYR HA H 7 4.440 4.440 4.550 -0.110 25443 12341 1 20 . 1 1 7 7 TYR C C 7 175.789 175.789 176.120 -0.331 25443 12342 1 20 . 1 1 7 7 TYR CA C 7 58.061 58.061 58.653 -0.592 25443 12343 1 20 . 1 1 7 7 TYR CB C 7 38.193 38.193 37.259 0.934 25443 12344 1 20 . 1 1 7 7 TYR H H 7 8.069 8.069 7.184 0.885 25443 12345 1 20 . 1 1 8 8 LYS N N 8 121.780 121.780 119.434 2.346 25443 12346 1 20 . 1 1 8 8 LYS HA H 8 4.107 4.107 4.443 -0.336 25443 12347 1 20 . 1 1 8 8 LYS C C 8 175.970 175.970 177.745 -1.775 25443 12348 1 20 . 1 1 8 8 LYS CA C 8 56.550 56.550 56.758 -0.208 25443 12349 1 20 . 1 1 8 8 LYS CB C 8 33.141 33.141 34.027 -0.886 25443 12350 1 20 . 1 1 8 8 LYS H H 8 7.868 7.868 8.200 -0.332 25443 12351 1 20 . 1 1 9 9 ASP N N 9 119.825 119.825 120.019 -0.194 25443 12352 1 20 . 1 1 9 9 ASP HA H 9 4.577 4.577 4.699 -0.122 25443 12353 1 20 . 1 1 9 9 ASP C C 9 175.979 175.979 175.984 -0.005 25443 12354 1 20 . 1 1 9 9 ASP CA C 9 54.608 54.608 55.971 -1.363 25443 12355 1 20 . 1 1 9 9 ASP CB C 9 41.455 41.455 40.998 0.458 25443 12356 1 20 . 1 1 9 9 ASP H H 9 8.164 8.164 8.956 -0.792 25443 12357 1 20 . 1 1 10 10 ASN N N 10 119.410 119.410 115.041 4.369 25443 12358 1 20 . 1 1 10 10 ASN HA H 10 4.935 4.935 5.064 -0.129 25443 12359 1 20 . 1 1 10 10 ASN C C 10 174.654 174.654 174.746 -0.092 25443 12360 1 20 . 1 1 10 10 ASN CA C 10 52.792 52.792 52.845 -0.053 25443 12361 1 20 . 1 1 10 10 ASN CB C 10 38.554 38.554 37.969 0.585 25443 12362 1 20 . 1 1 10 10 ASN H H 10 8.284 8.284 8.389 -0.105 25443 12363 1 20 . 1 1 11 11 ALA N N 11 122.716 122.716 123.494 -0.778 25443 12364 1 20 . 1 1 11 11 ALA HA H 11 4.521 4.521 4.483 0.038 25443 12365 1 20 . 1 1 11 11 ALA CA C 11 53.148 53.148 52.045 1.103 25443 12366 1 20 . 1 1 11 11 ALA CB C 11 19.223 19.223 18.413 0.810 25443 12367 1 20 . 1 1 11 11 ALA H H 11 8.260 8.260 7.360 0.900 25443 12368 1 20 . 1 1 12 12 TYR HA H 12 4.943 4.943 4.902 0.041 25443 12369 1 20 . 1 1 12 12 TYR C C 12 177.075 177.075 174.290 2.785 25443 12370 1 20 . 1 1 12 12 TYR CA C 12 57.314 57.314 57.097 0.217 25443 12371 1 20 . 1 1 12 12 TYR CB C 12 42.614 42.614 42.561 0.053 25443 12372 1 20 . 1 1 13 13 ILE N N 13 114.211 114.211 119.470 -5.259 25443 12373 1 20 . 1 1 13 13 ILE HA H 13 4.981 4.981 5.157 -0.176 25443 12374 1 20 . 1 1 13 13 ILE C C 13 174.500 174.500 174.227 0.273 25443 12375 1 20 . 1 1 13 13 ILE CA C 13 60.380 60.380 59.026 1.354 25443 12376 1 20 . 1 1 13 13 ILE CB C 13 39.792 39.792 40.380 -0.588 25443 12377 1 20 . 1 1 13 13 ILE H H 13 9.358 9.358 8.664 0.694 25443 12378 1 20 . 1 1 14 14 TYR N N 14 124.891 124.891 128.768 -3.877 25443 12379 1 20 . 1 1 14 14 TYR HA H 14 4.579 4.579 5.064 -0.485 25443 12380 1 20 . 1 1 14 14 TYR C C 14 173.192 173.192 173.991 -0.799 25443 12381 1 20 . 1 1 14 14 TYR CA C 14 56.202 56.202 57.030 -0.828 25443 12382 1 20 . 1 1 14 14 TYR CB C 14 40.163 40.163 40.302 -0.139 25443 12383 1 20 . 1 1 14 14 TYR H H 14 9.163 9.163 8.986 0.177 25443 12384 1 20 . 1 1 15 15 ILE N N 15 127.801 127.801 126.459 1.342 25443 12385 1 20 . 1 1 15 15 ILE HA H 15 4.210 4.210 5.213 -1.003 25443 12386 1 20 . 1 1 15 15 ILE C C 15 173.823 173.823 175.850 -2.027 25443 12387 1 20 . 1 1 15 15 ILE CA C 15 59.616 59.616 58.762 0.854 25443 12388 1 20 . 1 1 15 15 ILE CB C 15 39.735 39.735 41.121 -1.387 25443 12389 1 20 . 1 1 15 15 ILE H H 15 8.569 8.569 8.520 0.049 25443 12390 1 20 . 1 1 16 16 GLY N N 16 112.441 112.441 111.396 1.045 25443 12391 1 20 . 1 1 16 16 GLY C C 16 173.159 173.159 173.460 -0.301 25443 12392 1 20 . 1 1 16 16 GLY CA C 16 43.244 43.244 43.019 0.225 25443 12393 1 20 . 1 1 16 16 GLY H H 16 9.354 9.354 7.931 1.423 25443 12394 1 20 . 1 1 17 17 ASN N N 17 114.797 114.797 119.939 -5.142 25443 12395 1 20 . 1 1 17 17 ASN HA H 17 4.347 4.347 4.517 -0.170 25443 12396 1 20 . 1 1 17 17 ASN C C 17 174.834 174.834 175.618 -0.784 25443 12397 1 20 . 1 1 17 17 ASN CA C 17 53.214 53.214 53.998 -0.784 25443 12398 1 20 . 1 1 17 17 ASN CB C 17 37.826 37.826 38.251 -0.425 25443 12399 1 20 . 1 1 17 17 ASN H H 17 8.552 8.552 8.550 0.002 25443 12400 1 20 . 1 1 18 18 LEU N N 18 114.526 114.526 126.157 -11.631 25443 12401 1 20 . 1 1 18 18 LEU HA H 18 3.994 3.994 4.472 -0.478 25443 12402 1 20 . 1 1 18 18 LEU C C 18 177.948 177.948 176.193 1.755 25443 12403 1 20 . 1 1 18 18 LEU CA C 18 53.772 53.772 53.792 -0.020 25443 12404 1 20 . 1 1 18 18 LEU CB C 18 42.385 42.385 43.353 -0.968 25443 12405 1 20 . 1 1 18 18 LEU H H 18 7.743 7.743 8.272 -0.529 25443 12406 1 20 . 1 1 19 19 ASN N N 19 122.718 122.718 117.125 5.593 25443 12407 1 20 . 1 1 19 19 ASN HA H 19 4.302 4.302 4.677 -0.375 25443 12408 1 20 . 1 1 19 19 ASN C C 19 178.040 178.040 176.900 1.140 25443 12409 1 20 . 1 1 19 19 ASN CA C 19 54.421 54.421 53.814 0.607 25443 12410 1 20 . 1 1 19 19 ASN CB C 19 38.580 38.580 39.252 -0.672 25443 12411 1 20 . 1 1 19 19 ASN H H 19 8.758 8.758 8.459 0.299 25443 12412 1 20 . 1 1 20 20 ARG N N 20 128.821 128.821 123.241 5.580 25443 12413 1 20 . 1 1 20 20 ARG HA H 20 3.790 3.790 4.008 -0.218 25443 12414 1 20 . 1 1 20 20 ARG C C 20 175.566 175.566 176.144 -0.578 25443 12415 1 20 . 1 1 20 20 ARG CA C 20 58.775 58.775 58.819 -0.044 25443 12416 1 20 . 1 1 20 20 ARG CB C 20 29.642 29.642 30.036 -0.394 25443 12417 1 20 . 1 1 20 20 ARG H H 20 8.997 8.997 8.670 0.327 25443 12418 1 20 . 1 1 21 21 GLU N N 21 117.438 117.438 117.594 -0.156 25443 12419 1 20 . 1 1 21 21 GLU HA H 21 4.214 4.214 4.255 -0.041 25443 12420 1 20 . 1 1 21 21 GLU C C 21 177.076 177.076 176.136 0.940 25443 12421 1 20 . 1 1 21 21 GLU CA C 21 56.677 56.677 56.486 0.191 25443 12422 1 20 . 1 1 21 21 GLU CB C 21 30.451 30.451 28.655 1.796 25443 12423 1 20 . 1 1 21 21 GLU H H 21 9.043 9.043 8.348 0.695 25443 12424 1 20 . 1 1 22 22 LEU N N 22 116.311 116.311 122.190 -5.879 25443 12425 1 20 . 1 1 22 22 LEU HA H 22 4.491 4.491 4.369 0.122 25443 12426 1 20 . 1 1 22 22 LEU C C 22 178.389 178.389 176.037 2.352 25443 12427 1 20 . 1 1 22 22 LEU CA C 22 55.496 55.496 54.543 0.953 25443 12428 1 20 . 1 1 22 22 LEU CB C 22 42.148 42.148 43.327 -1.179 25443 12429 1 20 . 1 1 22 22 LEU H H 22 7.183 7.183 7.353 -0.170 25443 12430 1 20 . 1 1 23 23 THR N N 23 113.850 113.850 114.986 -1.136 25443 12431 1 20 . 1 1 23 23 THR HA H 23 4.289 4.289 4.680 -0.391 25443 12432 1 20 . 1 1 23 23 THR C C 23 175.229 175.229 175.595 -0.366 25443 12433 1 20 . 1 1 23 23 THR CA C 23 59.895 59.895 59.541 0.353 25443 12434 1 20 . 1 1 23 23 THR CB C 23 71.989 71.989 72.205 -0.216 25443 12435 1 20 . 1 1 23 23 THR H H 23 8.743 8.743 9.104 -0.361 25443 12436 1 20 . 1 1 24 24 GLU N N 24 119.724 119.724 122.582 -2.858 25443 12437 1 20 . 1 1 24 24 GLU HA H 24 3.591 3.591 4.107 -0.516 25443 12438 1 20 . 1 1 24 24 GLU C C 24 178.597 178.597 178.990 -0.393 25443 12439 1 20 . 1 1 24 24 GLU CA C 24 63.490 63.490 60.948 2.542 25443 12440 1 20 . 1 1 24 24 GLU CB C 24 27.433 27.433 29.116 -1.683 25443 12441 1 20 . 1 1 24 24 GLU H H 24 9.641 9.641 9.005 0.636 25443 12442 1 20 . 1 1 25 25 GLY N N 25 104.430 104.430 107.651 -3.221 25443 12443 1 20 . 1 1 25 25 GLY C C 25 175.425 175.425 175.772 -0.347 25443 12444 1 20 . 1 1 25 25 GLY CA C 25 47.334 47.334 46.895 0.439 25443 12445 1 20 . 1 1 25 25 GLY H H 25 8.423 8.423 7.868 0.555 25443 12446 1 20 . 1 1 26 26 ASP N N 26 123.128 123.128 123.403 -0.275 25443 12447 1 20 . 1 1 26 26 ASP HA H 26 4.530 4.530 4.416 0.114 25443 12448 1 20 . 1 1 26 26 ASP C C 26 177.878 177.878 178.692 -0.814 25443 12449 1 20 . 1 1 26 26 ASP CA C 26 57.429 57.429 57.741 -0.312 25443 12450 1 20 . 1 1 26 26 ASP CB C 26 41.612 41.612 40.823 0.789 25443 12451 1 20 . 1 1 26 26 ASP H H 26 7.859 7.859 7.478 0.381 25443 12452 1 20 . 1 1 27 27 ILE N N 27 118.864 118.864 120.469 -1.605 25443 12453 1 20 . 1 1 27 27 ILE HA H 27 3.534 3.534 3.730 -0.196 25443 12454 1 20 . 1 1 27 27 ILE C C 27 178.225 178.225 178.386 -0.161 25443 12455 1 20 . 1 1 27 27 ILE CA C 27 65.627 65.627 65.027 0.600 25443 12456 1 20 . 1 1 27 27 ILE CB C 27 37.614 37.614 38.014 -0.400 25443 12457 1 20 . 1 1 27 27 ILE H H 27 8.055 8.055 7.946 0.109 25443 12458 1 20 . 1 1 28 28 LEU N N 28 119.416 119.416 120.826 -1.410 25443 12459 1 20 . 1 1 28 28 LEU HA H 28 3.861 3.861 4.232 -0.371 25443 12460 1 20 . 1 1 28 28 LEU C C 28 179.884 179.884 178.713 1.171 25443 12461 1 20 . 1 1 28 28 LEU CA C 28 58.758 58.758 58.131 0.627 25443 12462 1 20 . 1 1 28 28 LEU CB C 28 41.137 41.137 41.710 -0.573 25443 12463 1 20 . 1 1 28 28 LEU H H 28 8.423 8.423 8.533 -0.110 25443 12464 1 20 . 1 1 29 29 THR N N 29 119.586 119.586 115.450 4.136 25443 12465 1 20 . 1 1 29 29 THR HA H 29 3.790 3.790 3.917 -0.127 25443 12466 1 20 . 1 1 29 29 THR C C 29 176.530 176.530 176.560 -0.030 25443 12467 1 20 . 1 1 29 29 THR CA C 29 67.322 67.322 67.174 0.148 25443 12468 1 20 . 1 1 29 29 THR CB C 29 68.372 68.372 68.539 -0.167 25443 12469 1 20 . 1 1 29 29 THR H H 29 8.552 8.552 7.796 0.756 25443 12470 1 20 . 1 1 30 30 VAL N N 30 119.948 119.948 120.575 -0.627 25443 12471 1 20 . 1 1 30 30 VAL HA H 30 3.601 3.601 3.594 0.007 25443 12472 1 20 . 1 1 30 30 VAL C C 30 178.670 178.670 178.118 0.552 25443 12473 1 20 . 1 1 30 30 VAL CA C 30 66.081 66.081 66.094 -0.013 25443 12474 1 20 . 1 1 30 30 VAL CB C 30 32.993 32.993 31.186 1.807 25443 12475 1 20 . 1 1 30 30 VAL H H 30 7.959 7.959 8.016 -0.057 25443 12476 1 20 . 1 1 31 31 PHE N N 31 113.636 113.636 118.309 -4.673 25443 12477 1 20 . 1 1 31 31 PHE HA H 31 4.006 4.006 4.579 -0.573 25443 12478 1 20 . 1 1 31 31 PHE C C 31 180.133 180.133 177.740 2.393 25443 12479 1 20 . 1 1 31 31 PHE CA C 31 62.266 62.266 60.526 1.740 25443 12480 1 20 . 1 1 31 31 PHE CB C 31 37.711 37.711 37.988 -0.277 25443 12481 1 20 . 1 1 31 31 PHE H H 31 8.726 8.726 8.213 0.513 25443 12482 1 20 . 1 1 32 32 SER N N 32 119.746 119.746 115.183 4.563 25443 12483 1 20 . 1 1 32 32 SER HA H 32 5.107 5.107 4.295 0.812 25443 12484 1 20 . 1 1 32 32 SER C C 32 173.450 173.450 176.279 -2.829 25443 12485 1 20 . 1 1 32 32 SER CA C 32 61.440 61.440 60.854 0.586 25443 12486 1 20 . 1 1 32 32 SER CB C 32 62.690 62.690 62.531 0.159 25443 12487 1 20 . 1 1 32 32 SER H H 32 8.564 8.564 7.959 0.605 25443 12488 1 20 . 1 1 33 33 GLU N N 33 118.689 118.689 120.671 -1.982 25443 12489 1 20 . 1 1 33 33 GLU HA H 33 3.854 3.854 4.029 -0.175 25443 12490 1 20 . 1 1 33 33 GLU C C 33 176.471 176.471 177.347 -0.876 25443 12491 1 20 . 1 1 33 33 GLU CA C 33 57.997 57.997 57.701 0.296 25443 12492 1 20 . 1 1 33 33 GLU CB C 33 29.503 29.503 29.196 0.307 25443 12493 1 20 . 1 1 33 33 GLU H H 33 6.733 6.733 7.550 -0.817 25443 12494 1 20 . 1 1 34 34 TYR N N 34 111.313 111.313 117.499 -6.186 25443 12495 1 20 . 1 1 34 34 TYR HA H 34 4.469 4.469 4.553 -0.084 25443 12496 1 20 . 1 1 34 34 TYR C C 34 174.351 174.351 176.454 -2.103 25443 12497 1 20 . 1 1 34 34 TYR CA C 34 57.940 57.940 58.158 -0.218 25443 12498 1 20 . 1 1 34 34 TYR CB C 34 39.557 39.557 39.217 0.340 25443 12499 1 20 . 1 1 34 34 TYR H H 34 6.662 6.662 7.355 -0.693 25443 12500 1 20 . 1 1 35 35 GLY N N 35 106.055 106.055 108.159 -2.104 25443 12501 1 20 . 1 1 35 35 GLY C C 35 170.709 170.709 173.924 -3.215 25443 12502 1 20 . 1 1 35 35 GLY CA C 35 45.230 45.230 45.286 -0.056 25443 12503 1 20 . 1 1 35 35 GLY H H 35 7.302 7.302 7.642 -0.340 25443 12504 1 20 . 1 1 36 36 VAL N N 36 121.596 121.596 121.287 0.309 25443 12505 1 20 . 1 1 36 36 VAL HA H 36 4.492 4.492 4.372 0.120 25443 12506 1 20 . 1 1 36 36 VAL CA C 36 59.912 59.912 58.576 1.336 25443 12507 1 20 . 1 1 36 36 VAL CB C 36 33.632 33.632 32.706 0.926 25443 12508 1 20 . 1 1 36 36 VAL H H 36 8.595 8.595 7.689 0.906 25443 12509 1 20 . 1 1 37 37 PRO HA H 37 4.499 4.499 4.715 -0.216 25443 12510 1 20 . 1 1 37 37 PRO C C 37 176.150 176.150 175.578 0.572 25443 12511 1 20 . 1 1 37 37 PRO CA C 37 62.320 62.320 61.995 0.325 25443 12512 1 20 . 1 1 37 37 PRO CB C 37 31.945 31.945 31.576 0.369 25443 12513 1 20 . 1 1 38 38 VAL N N 38 114.135 114.135 119.998 -5.863 25443 12514 1 20 . 1 1 38 38 VAL HA H 38 4.436 4.436 4.169 0.267 25443 12515 1 20 . 1 1 38 38 VAL C C 38 175.124 175.124 176.166 -1.042 25443 12516 1 20 . 1 1 38 38 VAL CA C 38 60.488 60.488 60.862 -0.374 25443 12517 1 20 . 1 1 38 38 VAL CB C 38 32.560 32.560 32.928 -0.368 25443 12518 1 20 . 1 1 38 38 VAL H H 38 9.006 9.006 7.363 1.643 25443 12519 1 20 . 1 1 39 39 ASP N N 39 118.095 118.095 121.244 -3.149 25443 12520 1 20 . 1 1 39 39 ASP HA H 39 4.626 4.626 4.587 0.039 25443 12521 1 20 . 1 1 39 39 ASP C C 39 174.577 174.577 174.977 -0.400 25443 12522 1 20 . 1 1 39 39 ASP CA C 39 54.706 54.706 55.737 -1.031 25443 12523 1 20 . 1 1 39 39 ASP CB C 39 43.495 43.495 41.366 2.129 25443 12524 1 20 . 1 1 39 39 ASP H H 39 7.454 7.454 8.008 -0.554 25443 12525 1 20 . 1 1 40 40 VAL N N 40 121.566 121.566 122.609 -1.043 25443 12526 1 20 . 1 1 40 40 VAL HA H 40 4.897 4.897 4.397 0.500 25443 12527 1 20 . 1 1 40 40 VAL C C 40 170.928 170.928 173.755 -2.827 25443 12528 1 20 . 1 1 40 40 VAL CA C 40 60.729 60.729 60.963 -0.234 25443 12529 1 20 . 1 1 40 40 VAL CB C 40 34.373 34.373 33.635 0.739 25443 12530 1 20 . 1 1 40 40 VAL H H 40 7.576 7.576 8.300 -0.724 25443 12531 1 20 . 1 1 41 41 ILE N N 41 125.247 125.247 129.651 -4.404 25443 12532 1 20 . 1 1 41 41 ILE HA H 41 4.752 4.752 4.323 0.429 25443 12533 1 20 . 1 1 41 41 ILE C C 41 175.440 175.440 174.084 1.356 25443 12534 1 20 . 1 1 41 41 ILE CA C 41 61.609 61.609 59.822 1.787 25443 12535 1 20 . 1 1 41 41 ILE H H 41 8.929 8.929 9.053 -0.124 25443 12536 1 20 . 1 1 42 42 LEU N N 42 128.791 128.791 128.313 0.478 25443 12537 1 20 . 1 1 42 42 LEU HA H 42 4.387 4.387 4.902 -0.515 25443 12538 1 20 . 1 1 42 42 LEU C C 42 174.979 174.979 175.916 -0.937 25443 12539 1 20 . 1 1 42 42 LEU CA C 42 53.345 53.345 53.047 0.298 25443 12540 1 20 . 1 1 42 42 LEU CB C 42 43.298 43.298 46.106 -2.808 25443 12541 1 20 . 1 1 42 42 LEU H H 42 8.309 8.309 8.472 -0.163 25443 12542 1 20 . 1 1 43 43 SER N N 43 122.753 122.753 121.803 0.950 25443 12543 1 20 . 1 1 43 43 SER HA H 43 3.821 3.821 4.454 -0.633 25443 12544 1 20 . 1 1 43 43 SER C C 43 173.870 173.870 173.914 -0.044 25443 12545 1 20 . 1 1 43 43 SER CA C 43 59.707 59.707 58.772 0.935 25443 12546 1 20 . 1 1 43 43 SER CB C 43 62.714 62.714 63.402 -0.688 25443 12547 1 20 . 1 1 43 43 SER H H 43 8.317 8.317 9.073 -0.756 25443 12548 1 20 . 1 1 44 44 ARG N N 44 128.068 128.068 127.077 0.991 25443 12549 1 20 . 1 1 44 44 ARG HA H 44 4.763 4.763 4.878 -0.115 25443 12550 1 20 . 1 1 44 44 ARG C C 44 175.094 175.094 175.586 -0.492 25443 12551 1 20 . 1 1 44 44 ARG CA C 44 54.100 54.100 54.710 -0.610 25443 12552 1 20 . 1 1 44 44 ARG CB C 44 34.218 34.218 32.516 1.702 25443 12553 1 20 . 1 1 44 44 ARG H H 44 8.152 8.152 7.794 0.358 25443 12554 1 20 . 1 1 45 45 ASP N N 45 123.595 123.595 126.371 -2.776 25443 12555 1 20 . 1 1 45 45 ASP HA H 45 4.172 4.172 4.660 -0.488 25443 12556 1 20 . 1 1 45 45 ASP C C 45 177.467 177.467 177.006 0.461 25443 12557 1 20 . 1 1 45 45 ASP CA C 45 54.898 54.898 54.338 0.560 25443 12558 1 20 . 1 1 45 45 ASP CB C 45 43.568 43.568 43.354 0.214 25443 12559 1 20 . 1 1 45 45 ASP H H 45 8.628 8.628 8.959 -0.331 25443 12560 1 20 . 1 1 46 46 GLU N N 46 125.161 125.161 124.058 1.103 25443 12561 1 20 . 1 1 46 46 GLU HA H 46 3.843 3.843 4.164 -0.321 25443 12562 1 20 . 1 1 46 46 GLU C C 46 175.690 175.690 176.829 -1.139 25443 12563 1 20 . 1 1 46 46 GLU CA C 46 58.861 58.861 58.709 0.152 25443 12564 1 20 . 1 1 46 46 GLU CB C 46 29.636 29.636 29.809 -0.173 25443 12565 1 20 . 1 1 46 46 GLU H H 46 9.013 9.013 8.834 0.179 25443 12566 1 20 . 1 1 47 47 ASN N N 47 115.135 115.135 117.185 -2.050 25443 12567 1 20 . 1 1 47 47 ASN HA H 47 4.842 4.842 4.628 0.214 25443 12568 1 20 . 1 1 47 47 ASN C C 47 176.655 176.655 176.666 -0.011 25443 12569 1 20 . 1 1 47 47 ASN CA C 47 54.897 54.897 55.057 -0.160 25443 12570 1 20 . 1 1 47 47 ASN CB C 47 40.141 40.141 38.672 1.468 25443 12571 1 20 . 1 1 47 47 ASN H H 47 8.926 8.926 8.468 0.458 25443 12572 1 20 . 1 1 48 48 THR N N 48 107.544 107.544 112.208 -4.664 25443 12573 1 20 . 1 1 48 48 THR HA H 48 4.400 4.400 4.416 -0.016 25443 12574 1 20 . 1 1 48 48 THR C C 48 176.484 176.484 175.560 0.924 25443 12575 1 20 . 1 1 48 48 THR CA C 48 61.513 61.513 62.913 -1.400 25443 12576 1 20 . 1 1 48 48 THR CB C 48 71.189 71.189 69.787 1.402 25443 12577 1 20 . 1 1 48 48 THR H H 48 8.455 8.455 8.776 -0.321 25443 12578 1 20 . 1 1 49 49 GLY N N 49 111.753 111.753 109.956 1.797 25443 12579 1 20 . 1 1 49 49 GLY C C 49 173.167 173.167 173.456 -0.289 25443 12580 1 20 . 1 1 49 49 GLY CA C 49 45.628 45.628 45.085 0.543 25443 12581 1 20 . 1 1 49 49 GLY H H 49 8.607 8.607 7.782 0.825 25443 12582 1 20 . 1 1 50 50 GLU N N 50 119.978 119.978 118.761 1.217 25443 12583 1 20 . 1 1 50 50 GLU HA H 50 4.071 4.071 4.569 -0.498 25443 12584 1 20 . 1 1 50 50 GLU C C 50 176.629 176.629 175.438 1.191 25443 12585 1 20 . 1 1 50 50 GLU CA C 50 56.500 56.500 54.317 2.183 25443 12586 1 20 . 1 1 50 50 GLU CB C 50 30.927 30.927 31.848 -0.921 25443 12587 1 20 . 1 1 50 50 GLU H H 50 7.796 7.796 7.813 -0.017 25443 12588 1 20 . 1 1 51 51 SER N N 51 115.672 115.672 115.562 0.110 25443 12589 1 20 . 1 1 51 51 SER HA H 51 4.205 4.205 4.836 -0.631 25443 12590 1 20 . 1 1 51 51 SER C C 51 176.532 176.532 175.319 1.213 25443 12591 1 20 . 1 1 51 51 SER CA C 51 58.320 58.320 58.253 0.067 25443 12592 1 20 . 1 1 51 51 SER CB C 51 64.596 64.596 63.633 0.963 25443 12593 1 20 . 1 1 51 51 SER H H 51 8.889 8.889 8.797 0.092 25443 12594 1 20 . 1 1 52 52 GLN N N 52 123.139 123.139 126.837 -3.698 25443 12595 1 20 . 1 1 52 52 GLN HA H 52 4.421 4.421 4.200 0.221 25443 12596 1 20 . 1 1 52 52 GLN C C 52 177.396 177.396 175.851 1.545 25443 12597 1 20 . 1 1 52 52 GLN CA C 52 55.051 55.051 55.873 -0.822 25443 12598 1 20 . 1 1 52 52 GLN CB C 52 29.874 29.874 29.208 0.666 25443 12599 1 20 . 1 1 52 52 GLN H H 52 9.078 9.078 8.920 0.158 25443 12600 1 20 . 1 1 53 53 GLY N N 53 105.904 105.904 105.585 0.319 25443 12601 1 20 . 1 1 53 53 GLY C C 53 172.046 172.046 173.515 -1.469 25443 12602 1 20 . 1 1 53 53 GLY CA C 53 46.550 46.550 44.699 1.851 25443 12603 1 20 . 1 1 53 53 GLY H H 53 8.851 8.851 7.540 1.311 25443 12604 1 20 . 1 1 54 54 PHE N N 54 111.888 111.888 119.900 -8.012 25443 12605 1 20 . 1 1 54 54 PHE HA H 54 5.253 5.253 4.975 0.278 25443 12606 1 20 . 1 1 54 54 PHE C C 54 171.570 171.570 174.054 -2.484 25443 12607 1 20 . 1 1 54 54 PHE CA C 54 55.592 55.592 54.622 0.970 25443 12608 1 20 . 1 1 54 54 PHE CB C 54 40.806 40.806 40.651 0.155 25443 12609 1 20 . 1 1 54 54 PHE H H 54 6.827 6.827 7.632 -0.805 25443 12610 1 20 . 1 1 55 55 ALA N N 55 121.888 121.888 122.445 -0.557 25443 12611 1 20 . 1 1 55 55 ALA HA H 55 5.032 5.032 4.840 0.192 25443 12612 1 20 . 1 1 55 55 ALA C C 55 172.957 172.957 174.602 -1.645 25443 12613 1 20 . 1 1 55 55 ALA CA C 55 49.477 49.477 50.510 -1.033 25443 12614 1 20 . 1 1 55 55 ALA H H 55 8.927 8.927 8.162 0.765 25443 12615 1 20 . 1 1 56 56 TYR N N 56 115.049 115.049 118.332 -3.283 25443 12616 1 20 . 1 1 56 56 TYR HA H 56 5.602 5.602 5.547 0.055 25443 12617 1 20 . 1 1 56 56 TYR C C 56 175.162 175.162 174.270 0.892 25443 12618 1 20 . 1 1 56 56 TYR CA C 56 55.444 55.444 56.228 -0.784 25443 12619 1 20 . 1 1 56 56 TYR CB C 56 42.189 42.189 41.075 1.114 25443 12620 1 20 . 1 1 56 56 TYR H H 56 9.020 9.020 9.120 -0.100 25443 12621 1 20 . 1 1 57 57 LEU N N 57 122.745 122.745 124.371 -1.626 25443 12622 1 20 . 1 1 57 57 LEU HA H 57 4.713 4.713 4.784 -0.071 25443 12623 1 20 . 1 1 57 57 LEU C C 57 172.371 172.371 174.602 -2.231 25443 12624 1 20 . 1 1 57 57 LEU CA C 57 54.712 54.712 53.781 0.931 25443 12625 1 20 . 1 1 57 57 LEU CB C 57 46.754 46.754 45.283 1.471 25443 12626 1 20 . 1 1 57 57 LEU H H 57 8.706 8.706 8.578 0.128 25443 12627 1 20 . 1 1 58 58 LYS N N 58 125.469 125.469 126.264 -0.795 25443 12628 1 20 . 1 1 58 58 LYS HA H 58 4.467 4.467 4.161 0.306 25443 12629 1 20 . 1 1 58 58 LYS C C 58 175.152 175.152 173.860 1.292 25443 12630 1 20 . 1 1 58 58 LYS CA C 58 54.494 54.494 54.000 0.494 25443 12631 1 20 . 1 1 58 58 LYS CB C 58 36.479 36.479 34.021 2.458 25443 12632 1 20 . 1 1 58 58 LYS H H 58 7.948 7.948 8.657 -0.709 25443 12633 1 20 . 1 1 59 59 TYR N N 59 126.261 126.261 122.745 3.516 25443 12634 1 20 . 1 1 59 59 TYR HA H 59 5.003 5.003 4.702 0.301 25443 12635 1 20 . 1 1 59 59 TYR C C 59 176.020 176.020 174.380 1.640 25443 12636 1 20 . 1 1 59 59 TYR CA C 59 57.992 57.992 54.869 3.123 25443 12637 1 20 . 1 1 59 59 TYR CB C 59 41.715 41.715 40.034 1.681 25443 12638 1 20 . 1 1 59 59 TYR H H 59 8.957 8.957 7.507 1.450 25443 12639 1 20 . 1 1 60 60 GLU N N 60 120.342 120.342 121.680 -1.338 25443 12640 1 20 . 1 1 60 60 GLU HA H 60 3.839 3.839 4.408 -0.569 25443 12641 1 20 . 1 1 60 60 GLU C C 60 175.346 175.346 175.482 -0.136 25443 12642 1 20 . 1 1 60 60 GLU CA C 60 59.057 59.057 56.286 2.771 25443 12643 1 20 . 1 1 60 60 GLU CB C 60 30.653 30.653 30.088 0.565 25443 12644 1 20 . 1 1 60 60 GLU H H 60 8.845 8.845 8.675 0.170 25443 12645 1 20 . 1 1 61 61 ASP N N 61 116.193 116.193 124.145 -7.952 25443 12646 1 20 . 1 1 61 61 ASP HA H 61 4.915 4.915 4.639 0.276 25443 12647 1 20 . 1 1 61 61 ASP C C 61 176.659 176.659 175.374 1.285 25443 12648 1 20 . 1 1 61 61 ASP CA C 61 51.856 51.856 54.427 -2.571 25443 12649 1 20 . 1 1 61 61 ASP CB C 61 43.726 43.726 42.092 1.634 25443 12650 1 20 . 1 1 61 61 ASP H H 61 7.922 7.922 8.248 -0.326 25443 12651 1 20 . 1 1 62 62 GLN N N 62 125.812 125.812 121.949 3.863 25443 12652 1 20 . 1 1 62 62 GLN HA H 62 4.221 4.221 4.277 -0.056 25443 12653 1 20 . 1 1 62 62 GLN C C 62 178.430 178.430 177.702 0.728 25443 12654 1 20 . 1 1 62 62 GLN CA C 62 58.449 58.449 58.358 0.090 25443 12655 1 20 . 1 1 62 62 GLN CB C 62 28.076 28.076 29.290 -1.214 25443 12656 1 20 . 1 1 62 62 GLN H H 62 8.964 8.964 8.704 0.260 25443 12657 1 20 . 1 1 63 63 ARG N N 63 120.943 120.943 120.377 0.566 25443 12658 1 20 . 1 1 63 63 ARG HA H 63 3.979 3.979 4.182 -0.203 25443 12659 1 20 . 1 1 63 63 ARG C C 63 179.350 179.350 178.686 0.664 25443 12660 1 20 . 1 1 63 63 ARG CA C 63 59.398 59.398 59.062 0.336 25443 12661 1 20 . 1 1 63 63 ARG CB C 63 29.466 29.466 30.181 -0.715 25443 12662 1 20 . 1 1 63 63 ARG H H 63 8.965 8.965 8.018 0.947 25443 12663 1 20 . 1 1 64 64 SER N N 64 115.358 115.358 114.256 1.102 25443 12664 1 20 . 1 1 64 64 SER HA H 64 3.898 3.898 4.092 -0.194 25443 12665 1 20 . 1 1 64 64 SER C C 64 174.444 174.444 175.978 -1.534 25443 12666 1 20 . 1 1 64 64 SER CA C 64 62.459 62.459 61.941 0.518 25443 12667 1 20 . 1 1 64 64 SER CB C 64 62.040 62.040 62.382 -0.342 25443 12668 1 20 . 1 1 64 64 SER H H 64 8.065 8.065 9.352 -1.287 25443 12669 1 20 . 1 1 65 65 THR N N 65 113.614 113.614 115.404 -1.790 25443 12670 1 20 . 1 1 65 65 THR HA H 65 3.751 3.751 4.406 -0.655 25443 12671 1 20 . 1 1 65 65 THR C C 65 175.357 175.357 177.004 -1.647 25443 12672 1 20 . 1 1 65 65 THR CA C 65 66.292 66.292 65.780 0.512 25443 12673 1 20 . 1 1 65 65 THR CB C 65 68.457 68.457 68.409 0.048 25443 12674 1 20 . 1 1 65 65 THR H H 65 7.484 7.484 7.673 -0.189 25443 12675 1 20 . 1 1 66 66 ILE N N 66 120.736 120.736 123.139 -2.403 25443 12676 1 20 . 1 1 66 66 ILE HA H 66 3.653 3.653 3.984 -0.331 25443 12677 1 20 . 1 1 66 66 ILE C C 66 177.518 177.518 178.374 -0.856 25443 12678 1 20 . 1 1 66 66 ILE CA C 66 64.014 64.014 64.686 -0.672 25443 12679 1 20 . 1 1 66 66 ILE CB C 66 42.194 42.194 37.428 4.766 25443 12680 1 20 . 1 1 66 66 ILE H H 66 6.976 6.976 7.428 -0.453 25443 12681 1 20 . 1 1 67 67 LEU N N 67 117.584 117.584 121.522 -3.938 25443 12682 1 20 . 1 1 67 67 LEU HA H 67 3.921 3.921 3.870 0.051 25443 12683 1 20 . 1 1 67 67 LEU C C 67 179.650 179.650 177.900 1.750 25443 12684 1 20 . 1 1 67 67 LEU CA C 67 57.452 57.452 58.283 -0.831 25443 12685 1 20 . 1 1 67 67 LEU CB C 67 42.172 42.172 41.892 0.279 25443 12686 1 20 . 1 1 67 67 LEU H H 67 7.006 7.006 7.917 -0.911 25443 12687 1 20 . 1 1 68 68 ALA N N 68 121.025 121.025 121.179 -0.154 25443 12688 1 20 . 1 1 68 68 ALA HA H 68 3.285 3.285 3.674 -0.389 25443 12689 1 20 . 1 1 68 68 ALA C C 68 179.216 179.216 179.831 -0.615 25443 12690 1 20 . 1 1 68 68 ALA CA C 68 55.564 55.564 55.147 0.417 25443 12691 1 20 . 1 1 68 68 ALA CB C 68 18.852 18.852 18.072 0.780 25443 12692 1 20 . 1 1 68 68 ALA H H 68 8.121 8.121 8.126 -0.005 25443 12693 1 20 . 1 1 69 69 VAL N N 69 117.799 117.799 117.618 0.181 25443 12694 1 20 . 1 1 69 69 VAL HA H 69 3.243 3.243 3.716 -0.473 25443 12695 1 20 . 1 1 69 69 VAL C C 69 178.541 178.541 177.771 0.770 25443 12696 1 20 . 1 1 69 69 VAL CA C 69 67.237 67.237 66.734 0.503 25443 12697 1 20 . 1 1 69 69 VAL CB C 69 31.679 31.679 31.320 0.359 25443 12698 1 20 . 1 1 69 69 VAL H H 69 8.012 8.012 8.040 -0.028 25443 12699 1 20 . 1 1 70 70 ASP N N 70 117.013 117.013 117.846 -0.833 25443 12700 1 20 . 1 1 70 70 ASP HA H 70 4.339 4.339 4.491 -0.152 25443 12701 1 20 . 1 1 70 70 ASP C C 70 178.330 178.330 178.081 0.249 25443 12702 1 20 . 1 1 70 70 ASP CA C 70 57.131 57.131 56.471 0.659 25443 12703 1 20 . 1 1 70 70 ASP CB C 70 40.465 40.465 41.402 -0.937 25443 12704 1 20 . 1 1 70 70 ASP H H 70 8.216 8.216 7.786 0.430 25443 12705 1 20 . 1 1 71 71 ASN N N 71 112.777 112.777 117.445 -4.668 25443 12706 1 20 . 1 1 71 71 ASN HA H 71 4.587 4.587 4.619 -0.032 25443 12707 1 20 . 1 1 71 71 ASN C C 71 176.314 176.314 177.356 -1.042 25443 12708 1 20 . 1 1 71 71 ASN CA C 71 55.474 55.474 55.739 -0.265 25443 12709 1 20 . 1 1 71 71 ASN CB C 71 40.592 40.592 39.001 1.591 25443 12710 1 20 . 1 1 71 71 ASN H H 71 7.582 7.582 8.380 -0.798 25443 12711 1 20 . 1 1 72 72 LEU N N 72 116.551 116.551 117.908 -1.357 25443 12712 1 20 . 1 1 72 72 LEU HA H 72 4.494 4.494 4.292 0.202 25443 12713 1 20 . 1 1 72 72 LEU C C 72 177.500 177.500 176.382 1.118 25443 12714 1 20 . 1 1 72 72 LEU CA C 72 54.590 54.590 54.981 -0.391 25443 12715 1 20 . 1 1 72 72 LEU CB C 72 42.862 42.862 41.813 1.049 25443 12716 1 20 . 1 1 72 72 LEU H H 72 8.201 8.201 7.807 0.394 25443 12717 1 20 . 1 1 73 73 ASN N N 73 118.974 118.974 118.203 0.771 25443 12718 1 20 . 1 1 73 73 ASN HA H 73 4.392 4.392 4.484 -0.092 25443 12719 1 20 . 1 1 73 73 ASN C C 73 177.151 177.151 176.641 0.510 25443 12720 1 20 . 1 1 73 73 ASN CA C 73 56.276 56.276 55.164 1.112 25443 12721 1 20 . 1 1 73 73 ASN CB C 73 38.853 38.853 37.974 0.879 25443 12722 1 20 . 1 1 73 73 ASN H H 73 7.406 7.406 7.492 -0.086 25443 12723 1 20 . 1 1 74 74 GLY N N 74 116.478 116.478 114.496 1.982 25443 12724 1 20 . 1 1 74 74 GLY C C 74 172.756 172.756 174.480 -1.724 25443 12725 1 20 . 1 1 74 74 GLY CA C 74 45.662 45.662 45.032 0.630 25443 12726 1 20 . 1 1 74 74 GLY H H 74 9.106 9.106 8.304 0.802 25443 12727 1 20 . 1 1 75 75 PHE N N 75 123.853 123.853 122.708 1.145 25443 12728 1 20 . 1 1 75 75 PHE HA H 75 4.328 4.328 4.405 -0.077 25443 12729 1 20 . 1 1 75 75 PHE C C 75 175.065 175.065 174.798 0.267 25443 12730 1 20 . 1 1 75 75 PHE CA C 75 58.371 58.371 58.189 0.182 25443 12731 1 20 . 1 1 75 75 PHE CB C 75 40.947 40.947 40.078 0.869 25443 12732 1 20 . 1 1 75 75 PHE H H 75 8.074 8.074 7.831 0.243 25443 12733 1 20 . 1 1 76 76 LYS N N 76 126.700 126.700 128.191 -1.491 25443 12734 1 20 . 1 1 76 76 LYS HA H 76 4.536 4.536 4.472 0.064 25443 12735 1 20 . 1 1 76 76 LYS C C 76 175.395 175.395 175.634 -0.239 25443 12736 1 20 . 1 1 76 76 LYS CA C 76 56.227 56.227 55.205 1.022 25443 12737 1 20 . 1 1 76 76 LYS CB C 76 32.969 32.969 31.711 1.258 25443 12738 1 20 . 1 1 76 76 LYS H H 76 7.766 7.766 7.895 -0.129 25443 12739 1 20 . 1 1 77 77 ILE N N 77 120.686 120.686 125.240 -4.554 25443 12740 1 20 . 1 1 77 77 ILE HA H 77 4.231 4.231 4.064 0.167 25443 12741 1 20 . 1 1 77 77 ILE C C 77 177.605 177.605 176.382 1.223 25443 12742 1 20 . 1 1 77 77 ILE CA C 77 59.981 59.981 60.559 -0.578 25443 12743 1 20 . 1 1 77 77 ILE CB C 77 40.409 40.409 38.731 1.678 25443 12744 1 20 . 1 1 77 77 ILE H H 77 8.005 8.005 8.893 -0.888 25443 12745 1 20 . 1 1 78 78 GLY N N 78 118.352 118.352 116.836 1.516 25443 12746 1 20 . 1 1 78 78 GLY C C 78 175.639 175.639 174.872 0.767 25443 12747 1 20 . 1 1 78 78 GLY CA C 78 47.227 47.227 45.188 2.039 25443 12748 1 20 . 1 1 78 78 GLY H H 78 9.800 9.800 9.111 0.689 25443 12749 1 20 . 1 1 79 79 GLY N N 79 104.167 104.167 105.162 -0.995 25443 12750 1 20 . 1 1 79 79 GLY C C 79 173.371 173.371 174.303 -0.932 25443 12751 1 20 . 1 1 79 79 GLY CA C 79 45.037 45.037 44.753 0.284 25443 12752 1 20 . 1 1 79 79 GLY H H 79 8.795 8.795 8.262 0.533 25443 12753 1 20 . 1 1 80 80 ARG N N 80 119.090 119.090 122.569 -3.479 25443 12754 1 20 . 1 1 80 80 ARG HA H 80 4.590 4.590 4.480 0.110 25443 12755 1 20 . 1 1 80 80 ARG C C 80 174.563 174.563 174.737 -0.174 25443 12756 1 20 . 1 1 80 80 ARG CA C 80 54.615 54.615 54.775 -0.160 25443 12757 1 20 . 1 1 80 80 ARG CB C 80 33.487 33.487 31.561 1.925 25443 12758 1 20 . 1 1 80 80 ARG H H 80 7.281 7.281 7.506 -0.225 25443 12759 1 20 . 1 1 81 81 ALA N N 81 126.039 126.039 127.895 -1.856 25443 12760 1 20 . 1 1 81 81 ALA HA H 81 4.216 4.216 4.870 -0.654 25443 12761 1 20 . 1 1 81 81 ALA C C 81 177.149 177.149 177.350 -0.201 25443 12762 1 20 . 1 1 81 81 ALA CA C 81 51.081 51.081 50.908 0.173 25443 12763 1 20 . 1 1 81 81 ALA CB C 81 19.226 19.226 19.966 -0.740 25443 12764 1 20 . 1 1 81 81 ALA H H 81 8.651 8.651 8.699 -0.048 25443 12765 1 20 . 1 1 82 82 LEU N N 82 125.451 125.451 124.224 1.227 25443 12766 1 20 . 1 1 82 82 LEU HA H 82 4.390 4.390 4.382 0.008 25443 12767 1 20 . 1 1 82 82 LEU C C 82 177.498 177.498 176.550 0.948 25443 12768 1 20 . 1 1 82 82 LEU CA C 82 56.065 56.065 54.974 1.091 25443 12769 1 20 . 1 1 82 82 LEU CB C 82 43.267 43.267 42.559 0.708 25443 12770 1 20 . 1 1 82 82 LEU H H 82 8.805 8.805 8.496 0.309 25443 12771 1 20 . 1 1 83 83 LYS N N 83 123.253 123.253 124.284 -1.031 25443 12772 1 20 . 1 1 83 83 LYS C C 83 174.892 174.892 174.924 -0.032 25443 12773 1 20 . 1 1 83 83 LYS CA C 83 54.892 54.892 55.184 -0.291 25443 12774 1 20 . 1 1 83 83 LYS H H 83 7.768 7.768 8.593 -0.825 25443 12775 1 20 . 1 1 84 84 ILE N N 84 125.577 125.577 124.451 1.126 25443 12776 1 20 . 1 1 84 84 ILE HA H 84 5.581 5.581 5.354 0.227 25443 12777 1 20 . 1 1 84 84 ILE C C 84 174.901 174.901 175.870 -0.969 25443 12778 1 20 . 1 1 84 84 ILE CA C 84 58.803 58.803 58.393 0.410 25443 12779 1 20 . 1 1 84 84 ILE CB C 84 40.306 40.306 39.631 0.675 25443 12780 1 20 . 1 1 84 84 ILE H H 84 8.616 8.616 8.590 0.026 25443 12781 1 20 . 1 1 85 85 ASP N N 85 125.373 125.373 125.227 0.146 25443 12782 1 20 . 1 1 85 85 ASP HA H 85 4.909 4.909 4.999 -0.090 25443 12783 1 20 . 1 1 85 85 ASP C C 85 174.826 174.826 174.402 0.424 25443 12784 1 20 . 1 1 85 85 ASP CA C 85 52.372 52.372 52.351 0.021 25443 12785 1 20 . 1 1 85 85 ASP CB C 85 45.290 45.290 44.466 0.824 25443 12786 1 20 . 1 1 85 85 ASP H H 85 8.907 8.907 8.812 0.095 25443 12787 1 20 . 1 1 86 86 HIS N N 86 121.396 121.396 120.565 0.831 25443 12788 1 20 . 1 1 86 86 HIS CA C 86 57.540 57.540 56.843 0.697 25443 12789 1 20 . 1 1 86 86 HIS CB C 86 30.985 30.985 31.419 -0.434 25443 12790 1 20 . 1 1 86 86 HIS H H 86 8.970 8.970 8.755 0.215 25443 12791 1 20 . 1 1 87 87 THR N N 87 116.761 116.761 117.085 -0.324 25443 12792 1 20 . 1 1 87 87 THR HA H 87 4.652 4.652 4.608 0.044 25443 12793 1 20 . 1 1 87 87 THR C C 87 171.272 171.272 172.901 -1.629 25443 12794 1 20 . 1 1 87 87 THR CA C 87 60.710 60.710 61.092 -0.382 25443 12795 1 20 . 1 1 87 87 THR CB C 87 69.764 69.764 70.416 -0.652 25443 12796 1 20 . 1 1 87 87 THR H H 87 8.557 8.557 8.755 -0.198 25443 12797 1 20 . 1 1 88 88 PHE N N 88 120.343 120.343 125.799 -5.456 25443 12798 1 20 . 1 1 88 88 PHE HA H 88 5.273 5.273 4.747 0.526 25443 12799 1 20 . 1 1 88 88 PHE C C 88 174.288 174.288 173.246 1.042 25443 12800 1 20 . 1 1 88 88 PHE CA C 88 55.959 55.959 56.897 -0.938 25443 12801 1 20 . 1 1 88 88 PHE CB C 88 41.079 41.079 40.234 0.845 25443 12802 1 20 . 1 1 88 88 PHE H H 88 8.114 8.114 8.547 -0.433 25443 12803 1 20 . 1 1 89 89 TYR N N 89 123.043 123.043 127.649 -4.606 25443 12804 1 20 . 1 1 89 89 TYR HA H 89 4.026 4.026 4.303 -0.277 25443 12805 1 20 . 1 1 89 89 TYR C C 89 173.155 173.155 173.042 0.113 25443 12806 1 20 . 1 1 89 89 TYR CA C 89 57.493 57.493 56.960 0.533 25443 12807 1 20 . 1 1 89 89 TYR CB C 89 39.829 39.829 41.385 -1.556 25443 12808 1 20 . 1 1 89 89 TYR H H 89 8.176 8.176 7.463 0.713 25443 12809 1 20 . 1 1 90 90 ARG N N 90 129.004 129.004 124.253 4.751 25443 12810 1 20 . 1 1 90 90 ARG HA H 90 4.398 4.398 4.461 -0.063 25443 12811 1 20 . 1 1 90 90 ARG CA C 90 51.548 51.548 51.512 0.036 25443 12812 1 20 . 1 1 90 90 ARG CB C 90 30.882 30.882 30.866 0.016 25443 12813 1 20 . 1 1 90 90 ARG H H 90 7.078 7.078 7.513 -0.435 25443 12814 1 20 . 1 1 91 91 PRO HA H 91 4.155 4.155 4.348 -0.193 25443 12815 1 20 . 1 1 91 91 PRO C C 91 176.340 176.340 176.030 0.310 25443 12816 1 20 . 1 1 91 91 PRO CA C 91 62.454 62.454 62.876 -0.422 25443 12817 1 20 . 1 1 91 91 PRO CB C 91 33.072 33.072 31.680 1.392 25443 12818 1 20 . 1 1 92 92 LYS N N 92 119.682 119.682 126.104 -6.422 25443 12819 1 20 . 1 1 92 92 LYS CA C 92 54.711 54.711 56.476 -1.765 25443 12820 1 20 . 1 1 92 92 LYS H H 92 8.644 8.644 7.645 0.999 25443 12821 1 20 . 1 1 93 93 ARG C C 93 178.899 178.899 178.468 0.431 25443 12822 1 20 . 1 1 93 93 ARG CA C 93 59.125 59.125 59.417 -0.292 25443 12823 1 20 . 1 1 94 94 SER N N 94 112.166 112.166 114.418 -2.252 25443 12824 1 20 . 1 1 94 94 SER HA H 94 4.176 4.176 4.322 -0.146 25443 12825 1 20 . 1 1 94 94 SER C C 94 175.776 175.776 175.867 -0.091 25443 12826 1 20 . 1 1 94 94 SER CA C 94 60.031 60.031 60.641 -0.610 25443 12827 1 20 . 1 1 94 94 SER CB C 94 62.152 62.152 62.976 -0.824 25443 12828 1 20 . 1 1 94 94 SER H H 94 8.299 8.299 8.330 -0.031 25443 12829 1 20 . 1 1 95 95 LEU N N 95 122.179 122.179 121.649 0.530 25443 12830 1 20 . 1 1 95 95 LEU HA H 95 4.651 4.651 4.500 0.151 25443 12831 1 20 . 1 1 95 95 LEU C C 95 175.381 175.381 176.796 -1.415 25443 12832 1 20 . 1 1 95 95 LEU CA C 95 53.934 53.934 54.118 -0.184 25443 12833 1 20 . 1 1 95 95 LEU CB C 95 41.861 41.861 41.315 0.546 25443 12834 1 20 . 1 1 95 95 LEU H H 95 7.159 7.159 7.899 -0.740 25443 12835 1 20 . 1 1 96 96 GLN N N 96 118.834 118.834 119.879 -1.045 25443 12836 1 20 . 1 1 96 96 GLN HA H 96 4.030 4.030 3.614 0.416 25443 12837 1 20 . 1 1 96 96 GLN C C 96 177.751 177.751 177.579 0.172 25443 12838 1 20 . 1 1 96 96 GLN CA C 96 60.705 60.705 58.741 1.964 25443 12839 1 20 . 1 1 96 96 GLN CB C 96 28.822 28.822 27.895 0.926 25443 12840 1 20 . 1 1 96 96 GLN H H 96 7.329 7.329 7.763 -0.434 25443 12841 1 20 . 1 1 97 97 LYS N N 97 116.469 116.469 120.759 -4.290 25443 12842 1 20 . 1 1 97 97 LYS HA H 97 4.060 4.060 4.077 -0.017 25443 12843 1 20 . 1 1 97 97 LYS C C 97 179.164 179.164 178.926 0.238 25443 12844 1 20 . 1 1 97 97 LYS CA C 97 59.430 59.430 59.465 -0.035 25443 12845 1 20 . 1 1 97 97 LYS CB C 97 31.511 31.511 32.156 -0.645 25443 12846 1 20 . 1 1 97 97 LYS H H 97 8.614 8.614 7.924 0.690 25443 12847 1 20 . 1 1 98 98 TYR N N 98 124.165 124.165 120.865 3.300 25443 12848 1 20 . 1 1 98 98 TYR HA H 98 4.079 4.079 4.210 -0.131 25443 12849 1 20 . 1 1 98 98 TYR C C 98 177.316 177.316 178.053 -0.737 25443 12850 1 20 . 1 1 98 98 TYR CA C 98 62.205 62.205 62.045 0.160 25443 12851 1 20 . 1 1 98 98 TYR CB C 98 37.162 37.162 38.746 -1.584 25443 12852 1 20 . 1 1 98 98 TYR H H 98 7.585 7.585 7.998 -0.413 25443 12853 1 20 . 1 1 99 99 TYR N N 99 117.955 117.955 118.774 -0.819 25443 12854 1 20 . 1 1 99 99 TYR HA H 99 5.078 5.078 4.291 0.787 25443 12855 1 20 . 1 1 99 99 TYR C C 99 180.957 180.957 178.568 2.389 25443 12856 1 20 . 1 1 99 99 TYR CA C 99 57.741 57.741 60.580 -2.839 25443 12857 1 20 . 1 1 99 99 TYR CB C 99 37.083 37.083 37.814 -0.731 25443 12858 1 20 . 1 1 99 99 TYR H H 99 8.660 8.660 8.007 0.653 25443 12859 1 20 . 1 1 100 100 GLU N N 100 118.796 118.796 119.418 -0.622 25443 12860 1 20 . 1 1 100 100 GLU HA H 100 4.024 4.024 3.987 0.037 25443 12861 1 20 . 1 1 100 100 GLU C C 100 178.571 178.571 178.846 -0.275 25443 12862 1 20 . 1 1 100 100 GLU CA C 100 59.400 59.400 59.411 -0.011 25443 12863 1 20 . 1 1 100 100 GLU CB C 100 29.660 29.660 29.554 0.106 25443 12864 1 20 . 1 1 100 100 GLU H H 100 8.263 8.263 8.711 -0.448 25443 12865 1 20 . 1 1 101 101 ALA N N 101 123.346 123.346 122.911 0.435 25443 12866 1 20 . 1 1 101 101 ALA HA H 101 4.244 4.244 4.002 0.242 25443 12867 1 20 . 1 1 101 101 ALA C C 101 181.331 181.331 179.387 1.944 25443 12868 1 20 . 1 1 101 101 ALA CA C 101 54.851 54.851 55.344 -0.493 25443 12869 1 20 . 1 1 101 101 ALA CB C 101 18.559 18.559 18.437 0.122 25443 12870 1 20 . 1 1 101 101 ALA H H 101 7.966 7.966 8.202 -0.236 25443 12871 1 20 . 1 1 102 102 VAL N N 102 120.241 120.241 118.139 2.102 25443 12872 1 20 . 1 1 102 102 VAL HA H 102 3.713 3.713 3.608 0.105 25443 12873 1 20 . 1 1 102 102 VAL C C 102 176.967 176.967 177.246 -0.279 25443 12874 1 20 . 1 1 102 102 VAL CA C 102 67.433 67.433 65.313 2.120 25443 12875 1 20 . 1 1 102 102 VAL CB C 102 31.721 31.721 31.585 0.136 25443 12876 1 20 . 1 1 102 102 VAL H H 102 8.331 8.331 7.782 0.549 25443 12877 1 20 . 1 1 103 103 LYS N N 103 120.001 120.001 120.700 -0.699 25443 12878 1 20 . 1 1 103 103 LYS HA H 103 3.859 3.859 3.956 -0.097 25443 12879 1 20 . 1 1 103 103 LYS C C 103 178.500 178.500 178.553 -0.053 25443 12880 1 20 . 1 1 103 103 LYS CA C 103 59.652 59.652 59.913 -0.261 25443 12881 1 20 . 1 1 103 103 LYS CB C 103 32.040 32.040 32.267 -0.228 25443 12882 1 20 . 1 1 103 103 LYS H H 103 8.201 8.201 7.949 0.252 25443 12883 1 20 . 1 1 104 104 GLU N N 104 116.335 116.335 118.659 -2.324 25443 12884 1 20 . 1 1 104 104 GLU HA H 104 3.928 3.928 4.069 -0.141 25443 12885 1 20 . 1 1 104 104 GLU C C 104 178.645 178.645 179.379 -0.734 25443 12886 1 20 . 1 1 104 104 GLU CA C 104 59.110 59.110 59.073 0.037 25443 12887 1 20 . 1 1 104 104 GLU CB C 104 29.607 29.607 28.889 0.718 25443 12888 1 20 . 1 1 104 104 GLU H H 104 7.909 7.909 8.503 -0.594 25443 12889 1 20 . 1 1 105 105 GLU N N 105 119.210 119.210 119.850 -0.640 25443 12890 1 20 . 1 1 105 105 GLU HA H 105 3.844 3.844 4.088 -0.244 25443 12891 1 20 . 1 1 105 105 GLU C C 105 178.613 178.613 179.197 -0.584 25443 12892 1 20 . 1 1 105 105 GLU CA C 105 58.162 58.162 58.883 -0.721 25443 12893 1 20 . 1 1 105 105 GLU CB C 105 29.754 29.754 29.189 0.565 25443 12894 1 20 . 1 1 105 105 GLU H H 105 7.257 7.257 7.517 -0.260 25443 12895 1 20 . 1 1 106 106 LEU N N 106 117.408 117.408 120.463 -3.055 25443 12896 1 20 . 1 1 106 106 LEU HA H 106 3.976 3.976 3.989 -0.013 25443 12897 1 20 . 1 1 106 106 LEU C C 106 178.646 178.646 178.911 -0.265 25443 12898 1 20 . 1 1 106 106 LEU CA C 106 56.699 56.699 58.297 -1.598 25443 12899 1 20 . 1 1 106 106 LEU CB C 106 40.455 40.455 41.605 -1.150 25443 12900 1 20 . 1 1 106 106 LEU H H 106 8.169 8.169 7.826 0.343 25443 12901 1 20 . 1 1 107 107 ASP N N 107 119.073 119.073 119.187 -0.114 25443 12902 1 20 . 1 1 107 107 ASP HA H 107 4.521 4.521 4.242 0.279 25443 12903 1 20 . 1 1 107 107 ASP C C 107 177.069 177.069 178.389 -1.320 25443 12904 1 20 . 1 1 107 107 ASP CA C 107 55.099 55.099 57.867 -2.768 25443 12905 1 20 . 1 1 107 107 ASP CB C 107 40.670 40.670 40.987 -0.317 25443 12906 1 20 . 1 1 107 107 ASP H H 107 8.003 8.003 8.552 -0.549 25443 12907 1 20 . 1 1 108 108 ARG N N 108 120.705 120.705 118.537 2.168 25443 12908 1 20 . 1 1 108 108 ARG HA H 108 4.067 4.067 4.003 0.064 25443 12909 1 20 . 1 1 108 108 ARG C C 108 176.990 176.990 177.958 -0.968 25443 12910 1 20 . 1 1 108 108 ARG CA C 108 57.517 57.517 59.301 -1.784 25443 12911 1 20 . 1 1 108 108 ARG CB C 108 30.407 30.407 30.358 0.049 25443 12912 1 20 . 1 1 108 108 ARG H H 108 7.603 7.603 7.933 -0.330 25443 12913 1 20 . 1 1 109 109 ASP N N 109 120.246 120.246 120.226 0.020 25443 12914 1 20 . 1 1 109 109 ASP HA H 109 4.521 4.521 4.465 0.056 25443 12915 1 20 . 1 1 109 109 ASP C C 109 176.630 176.630 178.796 -2.166 25443 12916 1 20 . 1 1 109 109 ASP CA C 109 55.028 55.028 57.308 -2.280 25443 12917 1 20 . 1 1 109 109 ASP CB C 109 40.936 40.936 40.584 0.352 25443 12918 1 20 . 1 1 109 109 ASP H H 109 8.226 8.226 8.052 0.174 25443 12919 1 20 . 1 1 110 110 ILE N N 110 120.386 120.386 119.670 0.716 25443 12920 1 20 . 1 1 110 110 ILE HA H 110 3.987 3.987 3.695 0.292 25443 12921 1 20 . 1 1 110 110 ILE C C 110 176.996 176.996 177.923 -0.927 25443 12922 1 20 . 1 1 110 110 ILE CA C 110 62.241 62.241 64.973 -2.732 25443 12923 1 20 . 1 1 110 110 ILE CB C 110 38.359 38.359 37.960 0.399 25443 12924 1 20 . 1 1 110 110 ILE H H 110 7.863 7.863 8.332 -0.469 25443 12925 1 20 . 1 1 111 111 VAL N N 111 122.548 122.548 117.478 5.070 25443 12926 1 20 . 1 1 111 111 VAL HA H 111 3.946 3.946 3.826 0.120 25443 12927 1 20 . 1 1 111 111 VAL C C 111 176.938 176.938 176.261 0.677 25443 12928 1 20 . 1 1 111 111 VAL CA C 111 63.499 63.499 63.917 -0.418 25443 12929 1 20 . 1 1 111 111 VAL CB C 111 32.223 32.223 32.572 -0.349 25443 12930 1 20 . 1 1 111 111 VAL H H 111 8.016 8.016 7.386 0.630 25443 12931 1 20 . 1 1 112 112 SER N N 112 117.984 117.984 112.679 5.305 25443 12932 1 20 . 1 1 112 112 SER HA H 112 4.317 4.317 4.234 0.083 25443 12933 1 20 . 1 1 112 112 SER C C 112 175.154 175.154 173.291 1.863 25443 12934 1 20 . 1 1 112 112 SER CA C 112 59.025 59.025 59.564 -0.539 25443 12935 1 20 . 1 1 112 112 SER CB C 112 63.419 63.419 63.451 -0.032 25443 12936 1 20 . 1 1 112 112 SER H H 112 8.187 8.187 8.237 -0.050 25443 12937 1 20 . 1 1 113 113 LYS N N 113 122.727 122.727 120.395 2.332 25443 12938 1 20 . 1 1 113 113 LYS HA H 113 4.209 4.209 4.491 -0.282 25443 12939 1 20 . 1 1 113 113 LYS C C 113 176.713 176.713 176.132 0.581 25443 12940 1 20 . 1 1 113 113 LYS CA C 113 56.844 56.844 55.397 1.447 25443 12941 1 20 . 1 1 113 113 LYS CB C 113 32.794 32.794 33.540 -0.746 25443 12942 1 20 . 1 1 113 113 LYS H H 113 8.152 8.152 8.360 -0.208 25443 12943 1 20 . 1 1 114 114 ASN N N 114 118.886 118.886 120.514 -1.628 25443 12944 1 20 . 1 1 114 114 ASN C C 114 175.227 175.227 174.604 0.623 25443 12945 1 20 . 1 1 114 114 ASN CA C 114 53.549 53.549 53.170 0.379 25443 12946 1 20 . 1 1 114 114 ASN H H 114 8.261 8.261 8.625 -0.364 25443 12947 1 20 . 1 1 115 115 ASN N N 115 119.345 119.345 121.731 -2.386 25443 12948 1 20 . 1 1 115 115 ASN C C 115 174.896 174.896 173.760 1.136 25443 12949 1 20 . 1 1 115 115 ASN CA C 115 53.476 53.476 52.174 1.302 25443 12950 1 20 . 1 1 115 115 ASN H H 115 8.257 8.257 8.189 0.068 25443 12951 1 20 . 1 1 116 116 ALA N N 116 123.669 123.669 128.000 -4.331 25443 12952 1 20 . 1 1 116 116 ALA HA H 116 4.254 4.254 4.423 -0.169 25443 12953 1 20 . 1 1 116 116 ALA C C 116 177.567 177.567 177.145 0.422 25443 12954 1 20 . 1 1 116 116 ALA CA C 116 52.678 52.678 52.578 0.100 25443 12955 1 20 . 1 1 116 116 ALA CB C 116 19.243 19.243 19.698 -0.455 25443 12956 1 20 . 1 1 116 116 ALA H H 116 8.094 8.094 8.130 -0.036 25443 12957 1 20 . 1 1 117 117 GLU N N 117 120.083 120.083 120.105 -0.022 25443 12958 1 20 . 1 1 117 117 GLU C C 117 175.564 175.564 176.230 -0.666 25443 12959 1 20 . 1 1 117 117 GLU CA C 117 56.602 56.602 56.831 -0.229 25443 12960 1 20 . 1 1 117 117 GLU H H 117 8.221 8.221 8.623 -0.402 25443 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 111 3.144 0.939 3.014 25443 2 1 1 "Average Difference" HA 118 0.318 0.054 0.315 25443 3 1 1 "Average Difference" C 111 1.187 0.053 1.191 25443 4 1 1 "Average Difference" CA 116 1.008 -0.147 1.001 25443 5 1 1 "Average Difference" CB 99 1.213 -0.231 1.197 25443 6 1 1 "Average Difference" HN 111 0.575 -0.008 0.577 25443 7 1 2 "Average Difference" N 111 3.125 0.809 3.032 25443 8 1 2 "Average Difference" HA 118 0.312 0.038 0.311 25443 9 1 2 "Average Difference" C 111 1.182 0.114 1.182 25443 10 1 2 "Average Difference" CA 116 1.153 -0.063 1.156 25443 11 1 2 "Average Difference" CB 99 1.214 -0.290 1.184 25443 12 1 2 "Average Difference" HN 111 0.512 -0.060 0.511 25443 13 1 3 "Average Difference" N 111 3.286 0.469 3.267 25443 14 1 3 "Average Difference" HA 118 0.350 0.047 0.349 25443 15 1 3 "Average Difference" C 111 1.285 0.103 1.287 25443 16 1 3 "Average Difference" CA 116 1.143 -0.054 1.147 25443 17 1 3 "Average Difference" CB 99 1.182 -0.184 1.174 25443 18 1 3 "Average Difference" HN 111 0.531 -0.042 0.532 25443 19 1 4 "Average Difference" N 111 3.150 0.665 3.093 25443 20 1 4 "Average Difference" HA 118 0.312 0.069 0.306 25443 21 1 4 "Average Difference" C 111 1.186 0.091 1.188 25443 22 1 4 "Average Difference" CA 116 1.186 -0.088 1.188 25443 23 1 4 "Average Difference" CB 99 1.015 -0.256 0.987 25443 24 1 4 "Average Difference" HN 111 0.551 -0.049 0.551 25443 25 1 5 "Average Difference" N 111 3.264 0.404 3.253 25443 26 1 5 "Average Difference" HA 118 0.322 0.055 0.319 25443 27 1 5 "Average Difference" C 111 1.240 0.013 1.246 25443 28 1 5 "Average Difference" CA 116 1.156 -0.126 1.154 25443 29 1 5 "Average Difference" CB 99 1.148 -0.284 1.118 25443 30 1 5 "Average Difference" HN 111 0.575 -0.023 0.577 25443 31 1 6 "Average Difference" N 111 3.139 0.803 3.048 25443 32 1 6 "Average Difference" HA 118 0.329 0.048 0.327 25443 33 1 6 "Average Difference" C 111 1.178 0.099 1.179 25443 34 1 6 "Average Difference" CA 116 1.159 -0.066 1.162 25443 35 1 6 "Average Difference" CB 99 1.102 -0.123 1.101 25443 36 1 6 "Average Difference" HN 111 0.514 0.009 0.516 25443 37 1 7 "Average Difference" N 111 2.958 0.565 2.916 25443 38 1 7 "Average Difference" HA 118 0.328 0.051 0.326 25443 39 1 7 "Average Difference" C 111 1.199 -0.010 1.205 25443 40 1 7 "Average Difference" CA 116 1.135 -0.134 1.132 25443 41 1 7 "Average Difference" CB 99 1.092 -0.183 1.082 25443 42 1 7 "Average Difference" HN 111 0.531 -0.048 0.531 25443 43 1 8 "Average Difference" N 111 3.084 0.610 3.036 25443 44 1 8 "Average Difference" HA 118 0.306 0.065 0.301 25443 45 1 8 "Average Difference" C 111 1.163 0.033 1.168 25443 46 1 8 "Average Difference" CA 116 1.151 -0.125 1.149 25443 47 1 8 "Average Difference" CB 99 1.033 -0.193 1.020 25443 48 1 8 "Average Difference" HN 111 0.510 -0.065 0.508 25443 49 1 9 "Average Difference" N 111 3.246 0.700 3.184 25443 50 1 9 "Average Difference" HA 118 0.334 0.043 0.332 25443 51 1 9 "Average Difference" C 111 1.182 -0.010 1.187 25443 52 1 9 "Average Difference" CA 116 1.217 -0.198 1.206 25443 53 1 9 "Average Difference" CB 99 1.130 -0.308 1.093 25443 54 1 9 "Average Difference" HN 111 0.565 -0.048 0.565 25443 55 1 10 "Average Difference" N 111 3.137 0.582 3.097 25443 56 1 10 "Average Difference" HA 118 0.338 0.059 0.334 25443 57 1 10 "Average Difference" C 111 1.169 -0.014 1.174 25443 58 1 10 "Average Difference" CA 116 1.191 -0.129 1.189 25443 59 1 10 "Average Difference" CB 99 1.026 -0.173 1.016 25443 60 1 10 "Average Difference" HN 111 0.564 -0.032 0.565 25443 61 1 11 "Average Difference" N 111 3.063 0.560 3.025 25443 62 1 11 "Average Difference" HA 118 0.308 0.029 0.308 25443 63 1 11 "Average Difference" C 111 1.142 0.063 1.145 25443 64 1 11 "Average Difference" CA 116 1.159 -0.131 1.157 25443 65 1 11 "Average Difference" CB 99 1.215 -0.415 1.148 25443 66 1 11 "Average Difference" HN 111 0.540 -0.041 0.541 25443 67 1 12 "Average Difference" N 111 3.228 0.653 3.176 25443 68 1 12 "Average Difference" HA 118 0.325 0.046 0.323 25443 69 1 12 "Average Difference" C 111 1.169 0.065 1.173 25443 70 1 12 "Average Difference" CA 116 1.068 -0.164 1.059 25443 71 1 12 "Average Difference" CB 99 1.078 -0.252 1.054 25443 72 1 12 "Average Difference" HN 111 0.522 -0.029 0.523 25443 73 1 13 "Average Difference" N 111 3.084 0.415 3.070 25443 74 1 13 "Average Difference" HA 118 0.327 0.064 0.322 25443 75 1 13 "Average Difference" C 111 1.178 0.032 1.182 25443 76 1 13 "Average Difference" CA 116 1.200 -0.084 1.202 25443 77 1 13 "Average Difference" CB 99 1.020 -0.281 0.985 25443 78 1 13 "Average Difference" HN 111 0.557 0.003 0.560 25443 79 1 14 "Average Difference" N 111 3.345 0.899 3.237 25443 80 1 14 "Average Difference" HA 118 0.325 0.067 0.320 25443 81 1 14 "Average Difference" C 111 1.246 0.095 1.248 25443 82 1 14 "Average Difference" CA 116 1.119 -0.205 1.105 25443 83 1 14 "Average Difference" CB 99 1.048 -0.237 1.027 25443 84 1 14 "Average Difference" HN 111 0.539 -0.051 0.539 25443 85 1 15 "Average Difference" N 111 3.153 0.743 3.078 25443 86 1 15 "Average Difference" HA 118 0.317 0.042 0.315 25443 87 1 15 "Average Difference" C 111 1.183 0.048 1.187 25443 88 1 15 "Average Difference" CA 116 1.014 -0.226 0.992 25443 89 1 15 "Average Difference" CB 99 1.081 -0.292 1.046 25443 90 1 15 "Average Difference" HN 111 0.520 -0.055 0.519 25443 91 1 16 "Average Difference" N 111 3.068 0.451 3.048 25443 92 1 16 "Average Difference" HA 118 0.313 0.049 0.311 25443 93 1 16 "Average Difference" C 111 1.215 0.103 1.216 25443 94 1 16 "Average Difference" CA 116 1.182 -0.040 1.187 25443 95 1 16 "Average Difference" CB 99 1.126 -0.254 1.102 25443 96 1 16 "Average Difference" HN 111 0.534 -0.065 0.532 25443 97 1 17 "Average Difference" N 111 2.983 0.723 2.907 25443 98 1 17 "Average Difference" HA 118 0.329 0.051 0.327 25443 99 1 17 "Average Difference" C 111 1.185 0.045 1.190 25443 100 1 17 "Average Difference" CA 116 1.132 -0.098 1.132 25443 101 1 17 "Average Difference" CB 99 0.993 -0.193 0.979 25443 102 1 17 "Average Difference" HN 111 0.518 -0.028 0.520 25443 103 1 18 "Average Difference" N 111 3.220 0.684 3.161 25443 104 1 18 "Average Difference" HA 118 0.336 0.065 0.331 25443 105 1 18 "Average Difference" C 111 1.209 0.070 1.212 25443 106 1 18 "Average Difference" CA 116 1.242 -0.155 1.237 25443 107 1 18 "Average Difference" CB 99 1.106 -0.229 1.088 25443 108 1 18 "Average Difference" HN 111 0.590 -0.051 0.590 25443 109 1 19 "Average Difference" N 111 2.934 0.614 2.882 25443 110 1 19 "Average Difference" HA 118 0.315 0.074 0.307 25443 111 1 19 "Average Difference" C 111 1.214 0.091 1.216 25443 112 1 19 "Average Difference" CA 116 1.132 -0.124 1.130 25443 113 1 19 "Average Difference" CB 99 1.059 -0.177 1.049 25443 114 1 19 "Average Difference" HN 111 0.506 -0.058 0.505 25443 115 1 20 "Average Difference" N 111 3.251 0.756 3.176 25443 116 1 20 "Average Difference" HA 118 0.326 0.024 0.326 25443 117 1 20 "Average Difference" C 111 1.207 0.081 1.210 25443 118 1 20 "Average Difference" CA 116 1.080 -0.104 1.079 25443 119 1 20 "Average Difference" CB 99 1.080 -0.240 1.058 25443 120 1 20 "Average Difference" HN 111 0.570 -0.063 0.569 25443 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 25443 _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 4.286 4.286 4.485 -0.199 25443 2 1 . 1 1 2 2 ALA C C 2 177.853 177.853 177.978 -0.126 25443 3 1 . 1 1 2 2 ALA CA C 2 52.661 52.661 52.511 0.150 25443 4 1 . 1 1 2 2 ALA CB C 2 19.308 19.308 19.334 -0.026 25443 5 1 . 1 1 3 3 MET N N 3 119.404 119.404 120.145 -0.741 25443 6 1 . 1 1 3 3 MET HA H 3 4.435 4.435 4.457 -0.022 25443 7 1 . 1 1 3 3 MET C C 3 176.731 176.731 177.169 -0.438 25443 8 1 . 1 1 3 3 MET CA C 3 55.503 55.503 56.164 -0.661 25443 9 1 . 1 1 3 3 MET CB C 3 32.795 32.795 32.807 -0.012 25443 10 1 . 1 1 3 3 MET H H 3 8.530 8.530 8.452 0.078 25443 11 1 . 1 1 4 4 GLY N N 4 109.968 109.968 106.796 3.172 25443 12 1 . 1 1 4 4 GLY C C 4 174.057 174.057 174.637 -0.580 25443 13 1 . 1 1 4 4 GLY CA C 4 45.363 45.363 45.227 0.136 25443 14 1 . 1 1 4 4 GLY H H 4 8.414 8.414 8.228 0.186 25443 15 1 . 1 1 5 5 ASN N N 5 118.659 118.659 118.939 -0.280 25443 16 1 . 1 1 5 5 ASN HA H 5 4.606 4.606 4.474 0.132 25443 17 1 . 1 1 5 5 ASN C C 5 175.443 175.443 176.318 -0.875 25443 18 1 . 1 1 5 5 ASN CA C 5 53.530 53.530 54.709 -1.179 25443 19 1 . 1 1 5 5 ASN CB C 5 38.876 38.876 38.514 0.362 25443 20 1 . 1 1 5 5 ASN H H 5 8.326 8.326 8.352 -0.026 25443 21 1 . 1 1 6 6 GLU N N 6 120.909 120.909 118.417 2.492 25443 22 1 . 1 1 6 6 GLU HA H 6 4.097 4.097 4.157 -0.060 25443 23 1 . 1 1 6 6 GLU C C 6 176.261 176.261 176.404 -0.143 25443 24 1 . 1 1 6 6 GLU CA C 6 57.171 57.171 57.176 -0.005 25443 25 1 . 1 1 6 6 GLU CB C 6 29.715 29.715 29.760 -0.045 25443 26 1 . 1 1 6 6 GLU H H 6 8.633 8.633 8.178 0.455 25443 27 1 . 1 1 7 7 TYR N N 7 120.283 120.283 116.841 3.442 25443 28 1 . 1 1 7 7 TYR HA H 7 4.440 4.440 4.509 -0.069 25443 29 1 . 1 1 7 7 TYR C C 7 175.789 175.789 175.799 -0.010 25443 30 1 . 1 1 7 7 TYR CA C 7 58.061 58.061 57.866 0.195 25443 31 1 . 1 1 7 7 TYR CB C 7 38.193 38.193 37.145 1.048 25443 32 1 . 1 1 7 7 TYR H H 7 8.069 8.069 7.607 0.462 25443 33 1 . 1 1 8 8 LYS N N 8 121.780 121.780 121.248 0.532 25443 34 1 . 1 1 8 8 LYS HA H 8 4.107 4.107 4.275 -0.168 25443 35 1 . 1 1 8 8 LYS C C 8 175.970 175.970 176.845 -0.875 25443 36 1 . 1 1 8 8 LYS CA C 8 56.550 56.550 57.189 -0.639 25443 37 1 . 1 1 8 8 LYS CB C 8 33.141 33.141 32.318 0.823 25443 38 1 . 1 1 8 8 LYS H H 8 7.868 7.868 8.079 -0.211 25443 39 1 . 1 1 9 9 ASP N N 9 119.825 119.825 119.484 0.341 25443 40 1 . 1 1 9 9 ASP HA H 9 4.577 4.577 4.554 0.023 25443 41 1 . 1 1 9 9 ASP C C 9 175.979 175.979 176.338 -0.359 25443 42 1 . 1 1 9 9 ASP CA C 9 54.608 54.608 55.548 -0.940 25443 43 1 . 1 1 9 9 ASP CB C 9 41.455 41.455 40.864 0.591 25443 44 1 . 1 1 9 9 ASP H H 9 8.164 8.164 8.519 -0.355 25443 45 1 . 1 1 10 10 ASN N N 10 119.410 119.410 116.921 2.489 25443 46 1 . 1 1 10 10 ASN HA H 10 4.935 4.935 4.873 0.062 25443 47 1 . 1 1 10 10 ASN C C 10 174.654 174.654 174.569 0.085 25443 48 1 . 1 1 10 10 ASN CA C 10 52.792 52.792 53.190 -0.398 25443 49 1 . 1 1 10 10 ASN CB C 10 38.554 38.554 38.744 -0.189 25443 50 1 . 1 1 10 10 ASN H H 10 8.284 8.284 8.128 0.156 25443 51 1 . 1 1 11 11 ALA N N 11 122.716 122.716 123.394 -0.678 25443 52 1 . 1 1 11 11 ALA HA H 11 4.521 4.521 4.393 0.128 25443 53 1 . 1 1 11 11 ALA CA C 11 53.148 53.148 52.133 1.015 25443 54 1 . 1 1 11 11 ALA CB C 11 19.223 19.223 18.512 0.711 25443 55 1 . 1 1 11 11 ALA H H 11 8.260 8.260 7.304 0.956 25443 56 1 . 1 1 12 12 TYR HA H 12 4.943 4.943 5.209 -0.266 25443 57 1 . 1 1 12 12 TYR C C 12 177.075 177.075 174.430 2.645 25443 58 1 . 1 1 12 12 TYR CA C 12 57.314 57.314 56.545 0.769 25443 59 1 . 1 1 12 12 TYR CB C 12 42.614 42.614 42.285 0.329 25443 60 1 . 1 1 13 13 ILE N N 13 114.211 114.211 117.332 -3.121 25443 61 1 . 1 1 13 13 ILE HA H 13 4.981 4.981 5.049 -0.068 25443 62 1 . 1 1 13 13 ILE C C 13 174.500 174.500 174.183 0.317 25443 63 1 . 1 1 13 13 ILE CA C 13 60.380 60.380 59.122 1.258 25443 64 1 . 1 1 13 13 ILE CB C 13 39.792 39.792 41.051 -1.259 25443 65 1 . 1 1 13 13 ILE H H 13 9.358 9.358 8.769 0.589 25443 66 1 . 1 1 14 14 TYR N N 14 124.891 124.891 127.582 -2.691 25443 67 1 . 1 1 14 14 TYR HA H 14 4.579 4.579 4.931 -0.352 25443 68 1 . 1 1 14 14 TYR C C 14 173.192 173.192 174.034 -0.842 25443 69 1 . 1 1 14 14 TYR CA C 14 56.202 56.202 57.011 -0.809 25443 70 1 . 1 1 14 14 TYR CB C 14 40.163 40.163 40.154 0.009 25443 71 1 . 1 1 14 14 TYR H H 14 9.163 9.163 8.999 0.164 25443 72 1 . 1 1 15 15 ILE N N 15 127.801 127.801 126.943 0.858 25443 73 1 . 1 1 15 15 ILE HA H 15 4.210 4.210 4.857 -0.647 25443 74 1 . 1 1 15 15 ILE C C 15 173.823 173.823 175.773 -1.950 25443 75 1 . 1 1 15 15 ILE CA C 15 59.616 59.616 59.136 0.480 25443 76 1 . 1 1 15 15 ILE CB C 15 39.735 39.735 40.340 -0.605 25443 77 1 . 1 1 15 15 ILE H H 15 8.569 8.569 8.406 0.163 25443 78 1 . 1 1 16 16 GLY N N 16 112.441 112.441 112.487 -0.046 25443 79 1 . 1 1 16 16 GLY C C 16 173.159 173.159 173.701 -0.542 25443 80 1 . 1 1 16 16 GLY CA C 16 43.244 43.244 43.257 -0.013 25443 81 1 . 1 1 16 16 GLY H H 16 9.354 9.354 8.067 1.287 25443 82 1 . 1 1 17 17 ASN N N 17 114.797 114.797 118.755 -3.958 25443 83 1 . 1 1 17 17 ASN HA H 17 4.347 4.347 4.609 -0.262 25443 84 1 . 1 1 17 17 ASN C C 17 174.834 174.834 175.202 -0.368 25443 85 1 . 1 1 17 17 ASN CA C 17 53.214 53.214 54.036 -0.821 25443 86 1 . 1 1 17 17 ASN CB C 17 37.826 37.826 38.091 -0.265 25443 87 1 . 1 1 17 17 ASN H H 17 8.552 8.552 8.546 0.006 25443 88 1 . 1 1 18 18 LEU N N 18 114.526 114.526 124.891 -10.365 25443 89 1 . 1 1 18 18 LEU HA H 18 3.994 3.994 4.520 -0.526 25443 90 1 . 1 1 18 18 LEU C C 18 177.948 177.948 176.210 1.738 25443 91 1 . 1 1 18 18 LEU CA C 18 53.772 53.772 53.531 0.241 25443 92 1 . 1 1 18 18 LEU CB C 18 42.385 42.385 44.116 -1.731 25443 93 1 . 1 1 18 18 LEU H H 18 7.743 7.743 8.117 -0.374 25443 94 1 . 1 1 19 19 ASN N N 19 122.718 122.718 117.832 4.886 25443 95 1 . 1 1 19 19 ASN HA H 19 4.302 4.302 4.695 -0.393 25443 96 1 . 1 1 19 19 ASN C C 19 178.040 178.040 176.821 1.219 25443 97 1 . 1 1 19 19 ASN CA C 19 54.421 54.421 53.184 1.237 25443 98 1 . 1 1 19 19 ASN CB C 19 38.580 38.580 39.424 -0.844 25443 99 1 . 1 1 19 19 ASN H H 19 8.758 8.758 8.584 0.174 25443 100 1 . 1 1 20 20 ARG N N 20 128.821 128.821 123.364 5.457 25443 101 1 . 1 1 20 20 ARG HA H 20 3.790 3.790 4.088 -0.298 25443 102 1 . 1 1 20 20 ARG C C 20 175.566 175.566 176.637 -1.071 25443 103 1 . 1 1 20 20 ARG CA C 20 58.775 58.775 58.452 0.323 25443 104 1 . 1 1 20 20 ARG CB C 20 29.642 29.642 30.052 -0.410 25443 105 1 . 1 1 20 20 ARG H H 20 8.997 8.997 8.754 0.243 25443 106 1 . 1 1 21 21 GLU N N 21 117.438 117.438 117.040 0.398 25443 107 1 . 1 1 21 21 GLU HA H 21 4.214 4.214 4.289 -0.075 25443 108 1 . 1 1 21 21 GLU C C 21 177.076 177.076 176.203 0.873 25443 109 1 . 1 1 21 21 GLU CA C 21 56.677 56.677 56.148 0.529 25443 110 1 . 1 1 21 21 GLU CB C 21 30.451 30.451 29.468 0.983 25443 111 1 . 1 1 21 21 GLU H H 21 9.043 9.043 8.305 0.738 25443 112 1 . 1 1 22 22 LEU N N 22 116.311 116.311 122.575 -6.264 25443 113 1 . 1 1 22 22 LEU HA H 22 4.491 4.491 4.388 0.103 25443 114 1 . 1 1 22 22 LEU C C 22 178.389 178.389 176.053 2.336 25443 115 1 . 1 1 22 22 LEU CA C 22 55.496 55.496 54.513 0.983 25443 116 1 . 1 1 22 22 LEU CB C 22 42.148 42.148 42.423 -0.275 25443 117 1 . 1 1 22 22 LEU H H 22 7.183 7.183 7.432 -0.249 25443 118 1 . 1 1 23 23 THR N N 23 113.850 113.850 115.892 -2.042 25443 119 1 . 1 1 23 23 THR HA H 23 4.289 4.289 4.652 -0.363 25443 120 1 . 1 1 23 23 THR C C 23 175.229 175.229 175.609 -0.380 25443 121 1 . 1 1 23 23 THR CA C 23 59.895 59.895 59.685 0.210 25443 122 1 . 1 1 23 23 THR CB C 23 71.989 71.989 71.410 0.579 25443 123 1 . 1 1 23 23 THR H H 23 8.743 8.743 8.473 0.270 25443 124 1 . 1 1 24 24 GLU N N 24 119.724 119.724 121.010 -1.286 25443 125 1 . 1 1 24 24 GLU HA H 24 3.591 3.591 4.104 -0.513 25443 126 1 . 1 1 24 24 GLU C C 24 178.597 178.597 178.695 -0.098 25443 127 1 . 1 1 24 24 GLU CA C 24 63.490 63.490 60.008 3.482 25443 128 1 . 1 1 24 24 GLU CB C 24 27.433 27.433 29.022 -1.589 25443 129 1 . 1 1 24 24 GLU H H 24 9.641 9.641 8.979 0.662 25443 130 1 . 1 1 25 25 GLY N N 25 104.430 104.430 108.086 -3.656 25443 131 1 . 1 1 25 25 GLY C C 25 175.425 175.425 175.878 -0.453 25443 132 1 . 1 1 25 25 GLY CA C 25 47.334 47.334 46.908 0.426 25443 133 1 . 1 1 25 25 GLY H H 25 8.423 8.423 8.000 0.423 25443 134 1 . 1 1 26 26 ASP N N 26 123.128 123.128 123.377 -0.249 25443 135 1 . 1 1 26 26 ASP HA H 26 4.530 4.530 4.447 0.083 25443 136 1 . 1 1 26 26 ASP C C 26 177.878 177.878 178.541 -0.663 25443 137 1 . 1 1 26 26 ASP CA C 26 57.429 57.429 57.623 -0.194 25443 138 1 . 1 1 26 26 ASP CB C 26 41.612 41.612 40.774 0.838 25443 139 1 . 1 1 26 26 ASP H H 26 7.859 7.859 7.584 0.275 25443 140 1 . 1 1 27 27 ILE N N 27 118.864 118.864 120.385 -1.521 25443 141 1 . 1 1 27 27 ILE HA H 27 3.534 3.534 3.721 -0.187 25443 142 1 . 1 1 27 27 ILE C C 27 178.225 178.225 178.152 0.073 25443 143 1 . 1 1 27 27 ILE CA C 27 65.627 65.627 65.115 0.512 25443 144 1 . 1 1 27 27 ILE CB C 27 37.614 37.614 37.982 -0.368 25443 145 1 . 1 1 27 27 ILE H H 27 8.055 8.055 7.783 0.272 25443 146 1 . 1 1 28 28 LEU N N 28 119.416 119.416 120.348 -0.932 25443 147 1 . 1 1 28 28 LEU HA H 28 3.861 3.861 4.157 -0.296 25443 148 1 . 1 1 28 28 LEU C C 28 179.884 179.884 178.927 0.957 25443 149 1 . 1 1 28 28 LEU CA C 28 58.758 58.758 58.191 0.566 25443 150 1 . 1 1 28 28 LEU CB C 28 41.137 41.137 41.495 -0.358 25443 151 1 . 1 1 28 28 LEU H H 28 8.423 8.423 8.352 0.071 25443 152 1 . 1 1 29 29 THR N N 29 119.586 119.586 116.115 3.471 25443 153 1 . 1 1 29 29 THR HA H 29 3.790 3.790 3.927 -0.137 25443 154 1 . 1 1 29 29 THR C C 29 176.530 176.530 176.533 -0.003 25443 155 1 . 1 1 29 29 THR CA C 29 67.322 67.322 67.025 0.297 25443 156 1 . 1 1 29 29 THR CB C 29 68.372 68.372 68.591 -0.219 25443 157 1 . 1 1 29 29 THR H H 29 8.552 8.552 7.876 0.676 25443 158 1 . 1 1 30 30 VAL N N 30 119.948 119.948 120.262 -0.314 25443 159 1 . 1 1 30 30 VAL HA H 30 3.601 3.601 3.591 0.010 25443 160 1 . 1 1 30 30 VAL C C 30 178.670 178.670 178.055 0.615 25443 161 1 . 1 1 30 30 VAL CA C 30 66.081 66.081 65.911 0.170 25443 162 1 . 1 1 30 30 VAL CB C 30 32.993 32.993 31.290 1.703 25443 163 1 . 1 1 30 30 VAL H H 30 7.959 7.959 7.837 0.122 25443 164 1 . 1 1 31 31 PHE N N 31 113.636 113.636 118.406 -4.770 25443 165 1 . 1 1 31 31 PHE HA H 31 4.006 4.006 4.449 -0.443 25443 166 1 . 1 1 31 31 PHE C C 31 180.133 180.133 177.812 2.321 25443 167 1 . 1 1 31 31 PHE CA C 31 62.266 62.266 60.487 1.779 25443 168 1 . 1 1 31 31 PHE CB C 31 37.711 37.711 38.259 -0.548 25443 169 1 . 1 1 31 31 PHE H H 31 8.726 8.726 8.066 0.660 25443 170 1 . 1 1 32 32 SER N N 32 119.746 119.746 115.450 4.296 25443 171 1 . 1 1 32 32 SER HA H 32 5.107 5.107 4.237 0.870 25443 172 1 . 1 1 32 32 SER C C 32 173.450 173.450 176.279 -2.829 25443 173 1 . 1 1 32 32 SER CA C 32 61.440 61.440 61.288 0.152 25443 174 1 . 1 1 32 32 SER CB C 32 62.690 62.690 62.524 0.166 25443 175 1 . 1 1 32 32 SER H H 32 8.564 8.564 8.371 0.193 25443 176 1 . 1 1 33 33 GLU N N 33 118.689 118.689 121.340 -2.651 25443 177 1 . 1 1 33 33 GLU HA H 33 3.854 3.854 4.011 -0.157 25443 178 1 . 1 1 33 33 GLU C C 33 176.471 176.471 177.395 -0.924 25443 179 1 . 1 1 33 33 GLU CA C 33 57.997 57.997 58.165 -0.168 25443 180 1 . 1 1 33 33 GLU CB C 33 29.503 29.503 29.178 0.325 25443 181 1 . 1 1 33 33 GLU H H 33 6.733 6.733 7.589 -0.856 25443 182 1 . 1 1 34 34 TYR N N 34 111.313 111.313 117.296 -5.983 25443 183 1 . 1 1 34 34 TYR HA H 34 4.469 4.469 4.502 -0.033 25443 184 1 . 1 1 34 34 TYR C C 34 174.351 174.351 176.186 -1.835 25443 185 1 . 1 1 34 34 TYR CA C 34 57.940 57.940 57.797 0.143 25443 186 1 . 1 1 34 34 TYR CB C 34 39.557 39.557 38.620 0.937 25443 187 1 . 1 1 34 34 TYR H H 34 6.662 6.662 7.442 -0.780 25443 188 1 . 1 1 35 35 GLY N N 35 106.055 106.055 107.663 -1.608 25443 189 1 . 1 1 35 35 GLY C C 35 170.709 170.709 174.030 -3.321 25443 190 1 . 1 1 35 35 GLY CA C 35 45.230 45.230 45.423 -0.193 25443 191 1 . 1 1 35 35 GLY H H 35 7.302 7.302 7.763 -0.461 25443 192 1 . 1 1 36 36 VAL N N 36 121.596 121.596 119.580 2.016 25443 193 1 . 1 1 36 36 VAL HA H 36 4.492 4.492 4.453 0.039 25443 194 1 . 1 1 36 36 VAL CA C 36 59.912 59.912 58.985 0.927 25443 195 1 . 1 1 36 36 VAL CB C 36 33.632 33.632 33.283 0.349 25443 196 1 . 1 1 36 36 VAL H H 36 8.595 8.595 7.680 0.915 25443 197 1 . 1 1 37 37 PRO HA H 37 4.499 4.499 4.685 -0.186 25443 198 1 . 1 1 37 37 PRO C C 37 176.150 176.150 175.874 0.276 25443 199 1 . 1 1 37 37 PRO CA C 37 62.320 62.320 62.497 -0.177 25443 200 1 . 1 1 37 37 PRO CB C 37 31.945 31.945 31.286 0.659 25443 201 1 . 1 1 38 38 VAL N N 38 114.135 114.135 121.654 -7.519 25443 202 1 . 1 1 38 38 VAL HA H 38 4.436 4.436 4.423 0.013 25443 203 1 . 1 1 38 38 VAL C C 38 175.124 175.124 175.410 -0.286 25443 204 1 . 1 1 38 38 VAL CA C 38 60.488 60.488 59.672 0.816 25443 205 1 . 1 1 38 38 VAL CB C 38 32.560 32.560 33.863 -1.303 25443 206 1 . 1 1 38 38 VAL H H 38 9.006 9.006 7.800 1.206 25443 207 1 . 1 1 39 39 ASP N N 39 118.095 118.095 121.631 -3.536 25443 208 1 . 1 1 39 39 ASP HA H 39 4.626 4.626 4.611 0.015 25443 209 1 . 1 1 39 39 ASP C C 39 174.577 174.577 174.888 -0.311 25443 210 1 . 1 1 39 39 ASP CA C 39 54.706 54.706 55.208 -0.502 25443 211 1 . 1 1 39 39 ASP CB C 39 43.495 43.495 41.696 1.800 25443 212 1 . 1 1 39 39 ASP H H 39 7.454 7.454 8.177 -0.723 25443 213 1 . 1 1 40 40 VAL N N 40 121.566 121.566 122.636 -1.070 25443 214 1 . 1 1 40 40 VAL HA H 40 4.897 4.897 4.593 0.304 25443 215 1 . 1 1 40 40 VAL C C 40 170.928 170.928 174.428 -3.500 25443 216 1 . 1 1 40 40 VAL CA C 40 60.729 60.729 60.649 0.080 25443 217 1 . 1 1 40 40 VAL CB C 40 34.373 34.373 34.463 -0.090 25443 218 1 . 1 1 40 40 VAL H H 40 7.576 7.576 8.267 -0.691 25443 219 1 . 1 1 41 41 ILE N N 41 125.247 125.247 129.471 -4.224 25443 220 1 . 1 1 41 41 ILE HA H 41 4.752 4.752 4.509 0.243 25443 221 1 . 1 1 41 41 ILE C C 41 175.440 175.440 174.022 1.418 25443 222 1 . 1 1 41 41 ILE CA C 41 61.609 61.609 60.112 1.497 25443 223 1 . 1 1 41 41 ILE H H 41 8.929 8.929 9.179 -0.250 25443 224 1 . 1 1 42 42 LEU N N 42 128.791 128.791 128.887 -0.096 25443 225 1 . 1 1 42 42 LEU HA H 42 4.387 4.387 4.705 -0.318 25443 226 1 . 1 1 42 42 LEU C C 42 174.979 174.979 175.864 -0.885 25443 227 1 . 1 1 42 42 LEU CA C 42 53.345 53.345 53.618 -0.273 25443 228 1 . 1 1 42 42 LEU CB C 42 43.298 43.298 44.589 -1.291 25443 229 1 . 1 1 42 42 LEU H H 42 8.309 8.309 8.664 -0.355 25443 230 1 . 1 1 43 43 SER N N 43 122.753 122.753 122.357 0.396 25443 231 1 . 1 1 43 43 SER HA H 43 3.821 3.821 4.352 -0.531 25443 232 1 . 1 1 43 43 SER C C 43 173.870 173.870 173.560 0.310 25443 233 1 . 1 1 43 43 SER CA C 43 59.707 59.707 58.681 1.026 25443 234 1 . 1 1 43 43 SER CB C 43 62.714 62.714 62.701 0.013 25443 235 1 . 1 1 43 43 SER H H 43 8.317 8.317 8.532 -0.215 25443 236 1 . 1 1 44 44 ARG N N 44 128.068 128.068 125.747 2.321 25443 237 1 . 1 1 44 44 ARG HA H 44 4.763 4.763 5.001 -0.238 25443 238 1 . 1 1 44 44 ARG C C 44 175.094 175.094 175.640 -0.546 25443 239 1 . 1 1 44 44 ARG CA C 44 54.100 54.100 54.387 -0.287 25443 240 1 . 1 1 44 44 ARG CB C 44 34.218 34.218 33.394 0.824 25443 241 1 . 1 1 44 44 ARG H H 44 8.152 8.152 7.935 0.217 25443 242 1 . 1 1 45 45 ASP N N 45 123.595 123.595 122.643 0.952 25443 243 1 . 1 1 45 45 ASP HA H 45 4.172 4.172 4.597 -0.425 25443 244 1 . 1 1 45 45 ASP C C 45 177.467 177.467 177.012 0.455 25443 245 1 . 1 1 45 45 ASP CA C 45 54.898 54.898 54.209 0.689 25443 246 1 . 1 1 45 45 ASP CB C 45 43.568 43.568 42.828 0.740 25443 247 1 . 1 1 45 45 ASP H H 45 8.628 8.628 8.720 -0.092 25443 248 1 . 1 1 46 46 GLU N N 46 125.161 125.161 123.343 1.818 25443 249 1 . 1 1 46 46 GLU HA H 46 3.843 3.843 4.174 -0.331 25443 250 1 . 1 1 46 46 GLU C C 46 175.690 175.690 176.850 -1.159 25443 251 1 . 1 1 46 46 GLU CA C 46 58.861 58.861 58.426 0.435 25443 252 1 . 1 1 46 46 GLU CB C 46 29.636 29.636 29.715 -0.079 25443 253 1 . 1 1 46 46 GLU H H 46 9.013 9.013 8.863 0.150 25443 254 1 . 1 1 47 47 ASN N N 47 115.135 115.135 117.239 -2.104 25443 255 1 . 1 1 47 47 ASN HA H 47 4.842 4.842 4.700 0.142 25443 256 1 . 1 1 47 47 ASN C C 47 176.655 176.655 176.808 -0.153 25443 257 1 . 1 1 47 47 ASN CA C 47 54.897 54.897 54.966 -0.069 25443 258 1 . 1 1 47 47 ASN CB C 47 40.141 40.141 39.154 0.987 25443 259 1 . 1 1 47 47 ASN H H 47 8.926 8.926 8.417 0.509 25443 260 1 . 1 1 48 48 THR N N 48 107.544 107.544 112.173 -4.629 25443 261 1 . 1 1 48 48 THR HA H 48 4.400 4.400 4.468 -0.068 25443 262 1 . 1 1 48 48 THR C C 48 176.484 176.484 175.292 1.192 25443 263 1 . 1 1 48 48 THR CA C 48 61.513 61.513 62.485 -0.972 25443 264 1 . 1 1 48 48 THR CB C 48 71.189 71.189 69.956 1.233 25443 265 1 . 1 1 48 48 THR H H 48 8.455 8.455 8.716 -0.261 25443 266 1 . 1 1 49 49 GLY N N 49 111.753 111.753 110.142 1.611 25443 267 1 . 1 1 49 49 GLY C C 49 173.167 173.167 173.580 -0.413 25443 268 1 . 1 1 49 49 GLY CA C 49 45.628 45.628 45.051 0.577 25443 269 1 . 1 1 49 49 GLY H H 49 8.607 8.607 8.003 0.604 25443 270 1 . 1 1 50 50 GLU N N 50 119.978 119.978 119.337 0.641 25443 271 1 . 1 1 50 50 GLU HA H 50 4.071 4.071 4.479 -0.408 25443 272 1 . 1 1 50 50 GLU C C 50 176.629 176.629 176.041 0.588 25443 273 1 . 1 1 50 50 GLU CA C 50 56.500 56.500 54.910 1.590 25443 274 1 . 1 1 50 50 GLU CB C 50 30.927 30.927 31.131 -0.204 25443 275 1 . 1 1 50 50 GLU H H 50 7.796 7.796 8.129 -0.333 25443 276 1 . 1 1 51 51 SER N N 51 115.672 115.672 116.663 -0.991 25443 277 1 . 1 1 51 51 SER HA H 51 4.205 4.205 4.522 -0.317 25443 278 1 . 1 1 51 51 SER C C 51 176.532 176.532 175.014 1.518 25443 279 1 . 1 1 51 51 SER CA C 51 58.320 58.320 58.908 -0.588 25443 280 1 . 1 1 51 51 SER CB C 51 64.596 64.596 63.373 1.223 25443 281 1 . 1 1 51 51 SER H H 51 8.889 8.889 8.780 0.109 25443 282 1 . 1 1 52 52 GLN N N 52 123.139 123.139 125.355 -2.216 25443 283 1 . 1 1 52 52 GLN HA H 52 4.421 4.421 4.214 0.207 25443 284 1 . 1 1 52 52 GLN C C 52 177.396 177.396 176.591 0.805 25443 285 1 . 1 1 52 52 GLN CA C 52 55.051 55.051 56.551 -1.500 25443 286 1 . 1 1 52 52 GLN CB C 52 29.874 29.874 29.198 0.676 25443 287 1 . 1 1 52 52 GLN H H 52 9.078 9.078 8.759 0.319 25443 288 1 . 1 1 53 53 GLY N N 53 105.904 105.904 106.118 -0.214 25443 289 1 . 1 1 53 53 GLY C C 53 172.046 172.046 173.333 -1.287 25443 290 1 . 1 1 53 53 GLY CA C 53 46.550 46.550 44.741 1.809 25443 291 1 . 1 1 53 53 GLY H H 53 8.851 8.851 7.903 0.948 25443 292 1 . 1 1 54 54 PHE N N 54 111.888 111.888 116.677 -4.789 25443 293 1 . 1 1 54 54 PHE HA H 54 5.253 5.253 5.104 0.149 25443 294 1 . 1 1 54 54 PHE C C 54 171.570 171.570 173.183 -1.613 25443 295 1 . 1 1 54 54 PHE CA C 54 55.592 55.592 54.814 0.778 25443 296 1 . 1 1 54 54 PHE CB C 54 40.806 40.806 40.737 0.069 25443 297 1 . 1 1 54 54 PHE H H 54 6.827 6.827 7.235 -0.408 25443 298 1 . 1 1 55 55 ALA N N 55 121.888 121.888 120.921 0.967 25443 299 1 . 1 1 55 55 ALA HA H 55 5.032 5.032 4.778 0.254 25443 300 1 . 1 1 55 55 ALA C C 55 172.957 172.957 174.512 -1.555 25443 301 1 . 1 1 55 55 ALA CA C 55 49.477 49.477 50.819 -1.342 25443 302 1 . 1 1 55 55 ALA H H 55 8.927 8.927 8.104 0.823 25443 303 1 . 1 1 56 56 TYR N N 56 115.049 115.049 117.292 -2.243 25443 304 1 . 1 1 56 56 TYR HA H 56 5.602 5.602 5.644 -0.042 25443 305 1 . 1 1 56 56 TYR C C 56 175.162 175.162 174.280 0.882 25443 306 1 . 1 1 56 56 TYR CA C 56 55.444 55.444 56.532 -1.088 25443 307 1 . 1 1 56 56 TYR CB C 56 42.189 42.189 42.329 -0.140 25443 308 1 . 1 1 56 56 TYR H H 56 9.020 9.020 9.070 -0.050 25443 309 1 . 1 1 57 57 LEU N N 57 122.745 122.745 123.464 -0.719 25443 310 1 . 1 1 57 57 LEU HA H 57 4.713 4.713 4.978 -0.265 25443 311 1 . 1 1 57 57 LEU C C 57 172.371 172.371 174.555 -2.184 25443 312 1 . 1 1 57 57 LEU CA C 57 54.712 54.712 53.939 0.773 25443 313 1 . 1 1 57 57 LEU CB C 57 46.754 46.754 45.971 0.783 25443 314 1 . 1 1 57 57 LEU H H 57 8.706 8.706 8.762 -0.056 25443 315 1 . 1 1 58 58 LYS N N 58 125.469 125.469 126.747 -1.278 25443 316 1 . 1 1 58 58 LYS HA H 58 4.467 4.467 4.573 -0.106 25443 317 1 . 1 1 58 58 LYS C C 58 175.152 175.152 174.082 1.070 25443 318 1 . 1 1 58 58 LYS CA C 58 54.494 54.494 54.204 0.289 25443 319 1 . 1 1 58 58 LYS CB C 58 36.479 36.479 34.465 2.014 25443 320 1 . 1 1 58 58 LYS H H 58 7.948 7.948 8.854 -0.905 25443 321 1 . 1 1 59 59 TYR N N 59 126.261 126.261 122.466 3.795 25443 322 1 . 1 1 59 59 TYR HA H 59 5.003 5.003 4.752 0.251 25443 323 1 . 1 1 59 59 TYR C C 59 176.020 176.020 174.055 1.965 25443 324 1 . 1 1 59 59 TYR CA C 59 57.992 57.992 55.298 2.694 25443 325 1 . 1 1 59 59 TYR CB C 59 41.715 41.715 40.406 1.309 25443 326 1 . 1 1 59 59 TYR H H 59 8.957 8.957 7.640 1.317 25443 327 1 . 1 1 60 60 GLU N N 60 120.342 120.342 122.317 -1.975 25443 328 1 . 1 1 60 60 GLU HA H 60 3.839 3.839 4.460 -0.621 25443 329 1 . 1 1 60 60 GLU C C 60 175.346 175.346 175.544 -0.198 25443 330 1 . 1 1 60 60 GLU CA C 60 59.057 59.057 56.101 2.956 25443 331 1 . 1 1 60 60 GLU CB C 60 30.653 30.653 30.109 0.544 25443 332 1 . 1 1 60 60 GLU H H 60 8.845 8.845 8.669 0.176 25443 333 1 . 1 1 61 61 ASP N N 61 116.193 116.193 124.155 -7.962 25443 334 1 . 1 1 61 61 ASP HA H 61 4.915 4.915 4.630 0.285 25443 335 1 . 1 1 61 61 ASP C C 61 176.659 176.659 175.599 1.060 25443 336 1 . 1 1 61 61 ASP CA C 61 51.856 51.856 54.611 -2.755 25443 337 1 . 1 1 61 61 ASP CB C 61 43.726 43.726 42.372 1.354 25443 338 1 . 1 1 61 61 ASP H H 61 7.922 7.922 8.237 -0.315 25443 339 1 . 1 1 62 62 GLN N N 62 125.812 125.812 123.850 1.962 25443 340 1 . 1 1 62 62 GLN HA H 62 4.221 4.221 4.153 0.068 25443 341 1 . 1 1 62 62 GLN C C 62 178.430 178.430 177.500 0.930 25443 342 1 . 1 1 62 62 GLN CA C 62 58.449 58.449 58.812 -0.363 25443 343 1 . 1 1 62 62 GLN CB C 62 28.076 28.076 29.073 -0.997 25443 344 1 . 1 1 62 62 GLN H H 62 8.964 8.964 8.740 0.224 25443 345 1 . 1 1 63 63 ARG N N 63 120.943 120.943 119.686 1.257 25443 346 1 . 1 1 63 63 ARG HA H 63 3.979 3.979 4.111 -0.132 25443 347 1 . 1 1 63 63 ARG C C 63 179.350 179.350 178.566 0.784 25443 348 1 . 1 1 63 63 ARG CA C 63 59.398 59.398 59.126 0.272 25443 349 1 . 1 1 63 63 ARG CB C 63 29.466 29.466 29.893 -0.427 25443 350 1 . 1 1 63 63 ARG H H 63 8.965 8.965 8.279 0.686 25443 351 1 . 1 1 64 64 SER N N 64 115.358 115.358 114.442 0.916 25443 352 1 . 1 1 64 64 SER HA H 64 3.898 3.898 4.189 -0.291 25443 353 1 . 1 1 64 64 SER C C 64 174.444 174.444 176.197 -1.753 25443 354 1 . 1 1 64 64 SER CA C 64 62.459 62.459 61.909 0.549 25443 355 1 . 1 1 64 64 SER CB C 64 62.040 62.040 62.530 -0.490 25443 356 1 . 1 1 64 64 SER H H 64 8.065 8.065 9.189 -1.124 25443 357 1 . 1 1 65 65 THR N N 65 113.614 113.614 116.165 -2.551 25443 358 1 . 1 1 65 65 THR HA H 65 3.751 3.751 4.452 -0.701 25443 359 1 . 1 1 65 65 THR C C 65 175.357 175.357 176.772 -1.415 25443 360 1 . 1 1 65 65 THR CA C 65 66.292 66.292 65.528 0.764 25443 361 1 . 1 1 65 65 THR CB C 65 68.457 68.457 68.678 -0.221 25443 362 1 . 1 1 65 65 THR H H 65 7.484 7.484 7.763 -0.279 25443 363 1 . 1 1 66 66 ILE N N 66 120.736 120.736 122.701 -1.965 25443 364 1 . 1 1 66 66 ILE HA H 66 3.653 3.653 3.995 -0.343 25443 365 1 . 1 1 66 66 ILE C C 66 177.518 177.518 177.917 -0.399 25443 366 1 . 1 1 66 66 ILE CA C 66 64.014 64.014 64.479 -0.465 25443 367 1 . 1 1 66 66 ILE CB C 66 42.194 42.194 37.466 4.728 25443 368 1 . 1 1 66 66 ILE H H 66 6.976 6.976 7.494 -0.518 25443 369 1 . 1 1 67 67 LEU N N 67 117.584 117.584 121.738 -4.154 25443 370 1 . 1 1 67 67 LEU HA H 67 3.921 3.921 3.907 0.014 25443 371 1 . 1 1 67 67 LEU C C 67 179.650 179.650 178.237 1.413 25443 372 1 . 1 1 67 67 LEU CA C 67 57.452 57.452 58.240 -0.788 25443 373 1 . 1 1 67 67 LEU CB C 67 42.172 42.172 41.703 0.469 25443 374 1 . 1 1 67 67 LEU H H 67 7.006 7.006 8.005 -0.999 25443 375 1 . 1 1 68 68 ALA N N 68 121.025 121.025 120.767 0.259 25443 376 1 . 1 1 68 68 ALA HA H 68 3.285 3.285 3.836 -0.551 25443 377 1 . 1 1 68 68 ALA C C 68 179.216 179.216 179.790 -0.574 25443 378 1 . 1 1 68 68 ALA CA C 68 55.564 55.564 55.049 0.515 25443 379 1 . 1 1 68 68 ALA CB C 68 18.852 18.852 18.194 0.658 25443 380 1 . 1 1 68 68 ALA H H 68 8.121 8.121 8.225 -0.104 25443 381 1 . 1 1 69 69 VAL N N 69 117.799 117.799 118.290 -0.491 25443 382 1 . 1 1 69 69 VAL HA H 69 3.243 3.243 3.620 -0.377 25443 383 1 . 1 1 69 69 VAL C C 69 178.541 178.541 177.968 0.573 25443 384 1 . 1 1 69 69 VAL CA C 69 67.237 67.237 67.106 0.131 25443 385 1 . 1 1 69 69 VAL CB C 69 31.679 31.679 31.607 0.072 25443 386 1 . 1 1 69 69 VAL H H 69 8.012 8.012 7.841 0.171 25443 387 1 . 1 1 70 70 ASP N N 70 117.013 117.013 117.940 -0.927 25443 388 1 . 1 1 70 70 ASP HA H 70 4.339 4.339 4.438 -0.099 25443 389 1 . 1 1 70 70 ASP C C 70 178.330 178.330 177.663 0.667 25443 390 1 . 1 1 70 70 ASP CA C 70 57.131 57.131 56.909 0.222 25443 391 1 . 1 1 70 70 ASP CB C 70 40.465 40.465 41.103 -0.638 25443 392 1 . 1 1 70 70 ASP H H 70 8.216 8.216 8.140 0.076 25443 393 1 . 1 1 71 71 ASN N N 71 112.777 112.777 117.015 -4.238 25443 394 1 . 1 1 71 71 ASN HA H 71 4.587 4.587 4.632 -0.045 25443 395 1 . 1 1 71 71 ASN C C 71 176.314 176.314 176.975 -0.661 25443 396 1 . 1 1 71 71 ASN CA C 71 55.474 55.474 55.303 0.171 25443 397 1 . 1 1 71 71 ASN CB C 71 40.592 40.592 39.287 1.305 25443 398 1 . 1 1 71 71 ASN H H 71 7.582 7.582 8.164 -0.582 25443 399 1 . 1 1 72 72 LEU N N 72 116.551 116.551 117.586 -1.035 25443 400 1 . 1 1 72 72 LEU HA H 72 4.494 4.494 4.313 0.181 25443 401 1 . 1 1 72 72 LEU C C 72 177.500 177.500 176.781 0.719 25443 402 1 . 1 1 72 72 LEU CA C 72 54.590 54.590 55.317 -0.727 25443 403 1 . 1 1 72 72 LEU CB C 72 42.862 42.862 42.181 0.681 25443 404 1 . 1 1 72 72 LEU H H 72 8.201 8.201 8.041 0.160 25443 405 1 . 1 1 73 73 ASN N N 73 118.974 118.974 118.398 0.576 25443 406 1 . 1 1 73 73 ASN HA H 73 4.392 4.392 4.734 -0.342 25443 407 1 . 1 1 73 73 ASN C C 73 177.151 177.151 176.631 0.519 25443 408 1 . 1 1 73 73 ASN CA C 73 56.276 56.276 54.951 1.325 25443 409 1 . 1 1 73 73 ASN CB C 73 38.853 38.853 38.051 0.802 25443 410 1 . 1 1 73 73 ASN H H 73 7.406 7.406 7.805 -0.399 25443 411 1 . 1 1 74 74 GLY N N 74 116.478 116.478 114.301 2.177 25443 412 1 . 1 1 74 74 GLY C C 74 172.756 172.756 173.974 -1.218 25443 413 1 . 1 1 74 74 GLY CA C 74 45.662 45.662 45.035 0.627 25443 414 1 . 1 1 74 74 GLY H H 74 9.106 9.106 8.882 0.224 25443 415 1 . 1 1 75 75 PHE N N 75 123.853 123.853 122.801 1.052 25443 416 1 . 1 1 75 75 PHE HA H 75 4.328 4.328 4.478 -0.150 25443 417 1 . 1 1 75 75 PHE C C 75 175.065 175.065 174.648 0.417 25443 418 1 . 1 1 75 75 PHE CA C 75 58.371 58.371 57.948 0.423 25443 419 1 . 1 1 75 75 PHE CB C 75 40.947 40.947 40.326 0.621 25443 420 1 . 1 1 75 75 PHE H H 75 8.074 8.074 8.009 0.065 25443 421 1 . 1 1 76 76 LYS N N 76 126.700 126.700 127.742 -1.042 25443 422 1 . 1 1 76 76 LYS HA H 76 4.536 4.536 4.768 -0.232 25443 423 1 . 1 1 76 76 LYS C C 76 175.395 175.395 175.668 -0.273 25443 424 1 . 1 1 76 76 LYS CA C 76 56.227 56.227 55.279 0.948 25443 425 1 . 1 1 76 76 LYS CB C 76 32.969 32.969 32.372 0.597 25443 426 1 . 1 1 76 76 LYS H H 76 7.766 7.766 7.940 -0.173 25443 427 1 . 1 1 77 77 ILE N N 77 120.686 120.686 125.654 -4.968 25443 428 1 . 1 1 77 77 ILE HA H 77 4.231 4.231 4.164 0.067 25443 429 1 . 1 1 77 77 ILE C C 77 177.605 177.605 176.302 1.303 25443 430 1 . 1 1 77 77 ILE CA C 77 59.981 59.981 60.371 -0.390 25443 431 1 . 1 1 77 77 ILE CB C 77 40.409 40.409 38.987 1.422 25443 432 1 . 1 1 77 77 ILE H H 77 8.005 8.005 8.950 -0.945 25443 433 1 . 1 1 78 78 GLY N N 78 118.352 118.352 116.504 1.848 25443 434 1 . 1 1 78 78 GLY C C 78 175.639 175.639 175.118 0.521 25443 435 1 . 1 1 78 78 GLY CA C 78 47.227 47.227 45.297 1.930 25443 436 1 . 1 1 78 78 GLY H H 78 9.800 9.800 9.004 0.796 25443 437 1 . 1 1 79 79 GLY N N 79 104.167 104.167 104.454 -0.287 25443 438 1 . 1 1 79 79 GLY C C 79 173.371 173.371 174.109 -0.738 25443 439 1 . 1 1 79 79 GLY CA C 79 45.037 45.037 44.821 0.216 25443 440 1 . 1 1 79 79 GLY H H 79 8.795 8.795 8.270 0.525 25443 441 1 . 1 1 80 80 ARG N N 80 119.090 119.090 121.060 -1.970 25443 442 1 . 1 1 80 80 ARG HA H 80 4.590 4.590 4.615 -0.025 25443 443 1 . 1 1 80 80 ARG C C 80 174.563 174.563 174.495 0.068 25443 444 1 . 1 1 80 80 ARG CA C 80 54.615 54.615 54.141 0.474 25443 445 1 . 1 1 80 80 ARG CB C 80 33.487 33.487 32.179 1.308 25443 446 1 . 1 1 80 80 ARG H H 80 7.281 7.281 7.554 -0.273 25443 447 1 . 1 1 81 81 ALA N N 81 126.039 126.039 126.375 -0.336 25443 448 1 . 1 1 81 81 ALA HA H 81 4.216 4.216 4.951 -0.735 25443 449 1 . 1 1 81 81 ALA C C 81 177.149 177.149 177.146 0.003 25443 450 1 . 1 1 81 81 ALA CA C 81 51.081 51.081 50.858 0.223 25443 451 1 . 1 1 81 81 ALA CB C 81 19.226 19.226 19.901 -0.675 25443 452 1 . 1 1 81 81 ALA H H 81 8.651 8.651 8.533 0.118 25443 453 1 . 1 1 82 82 LEU N N 82 125.451 125.451 124.876 0.575 25443 454 1 . 1 1 82 82 LEU HA H 82 4.390 4.390 4.372 0.018 25443 455 1 . 1 1 82 82 LEU C C 82 177.498 177.498 176.506 0.992 25443 456 1 . 1 1 82 82 LEU CA C 82 56.065 56.065 54.750 1.315 25443 457 1 . 1 1 82 82 LEU CB C 82 43.267 43.267 42.440 0.826 25443 458 1 . 1 1 82 82 LEU H H 82 8.805 8.805 8.759 0.046 25443 459 1 . 1 1 83 83 LYS N N 83 123.253 123.253 125.564 -2.311 25443 460 1 . 1 1 83 83 LYS C C 83 174.892 174.892 175.055 -0.163 25443 461 1 . 1 1 83 83 LYS CA C 83 54.892 54.892 54.984 -0.092 25443 462 1 . 1 1 83 83 LYS H H 83 7.768 7.768 8.576 -0.808 25443 463 1 . 1 1 84 84 ILE N N 84 125.577 125.577 125.700 -0.123 25443 464 1 . 1 1 84 84 ILE HA H 84 5.581 5.581 5.246 0.335 25443 465 1 . 1 1 84 84 ILE C C 84 174.901 174.901 175.725 -0.824 25443 466 1 . 1 1 84 84 ILE CA C 84 58.803 58.803 58.268 0.535 25443 467 1 . 1 1 84 84 ILE CB C 84 40.306 40.306 38.770 1.536 25443 468 1 . 1 1 84 84 ILE H H 84 8.616 8.616 8.543 0.073 25443 469 1 . 1 1 85 85 ASP N N 85 125.373 125.373 125.904 -0.531 25443 470 1 . 1 1 85 85 ASP HA H 85 4.909 4.909 5.002 -0.093 25443 471 1 . 1 1 85 85 ASP C C 85 174.826 174.826 174.685 0.141 25443 472 1 . 1 1 85 85 ASP CA C 85 52.372 52.372 52.354 0.018 25443 473 1 . 1 1 85 85 ASP CB C 85 45.290 45.290 44.570 0.720 25443 474 1 . 1 1 85 85 ASP H H 85 8.907 8.907 8.805 0.102 25443 475 1 . 1 1 86 86 HIS N N 86 121.396 121.396 122.068 -0.672 25443 476 1 . 1 1 86 86 HIS CA C 86 57.540 57.540 57.019 0.521 25443 477 1 . 1 1 86 86 HIS CB C 86 30.985 30.985 30.723 0.262 25443 478 1 . 1 1 86 86 HIS H H 86 8.970 8.970 8.823 0.147 25443 479 1 . 1 1 87 87 THR N N 87 116.761 116.761 118.932 -2.171 25443 480 1 . 1 1 87 87 THR HA H 87 4.652 4.652 4.622 0.030 25443 481 1 . 1 1 87 87 THR C C 87 171.272 171.272 172.794 -1.522 25443 482 1 . 1 1 87 87 THR CA C 87 60.710 60.710 60.811 -0.101 25443 483 1 . 1 1 87 87 THR CB C 87 69.764 69.764 70.487 -0.723 25443 484 1 . 1 1 87 87 THR H H 87 8.557 8.557 8.539 0.018 25443 485 1 . 1 1 88 88 PHE N N 88 120.343 120.343 123.410 -3.067 25443 486 1 . 1 1 88 88 PHE HA H 88 5.273 5.273 5.132 0.141 25443 487 1 . 1 1 88 88 PHE C C 88 174.288 174.288 173.491 0.797 25443 488 1 . 1 1 88 88 PHE CA C 88 55.959 55.959 56.068 -0.109 25443 489 1 . 1 1 88 88 PHE CB C 88 41.079 41.079 40.519 0.560 25443 490 1 . 1 1 88 88 PHE H H 88 8.114 8.114 8.355 -0.241 25443 491 1 . 1 1 89 89 TYR N N 89 123.043 123.043 125.694 -2.651 25443 492 1 . 1 1 89 89 TYR HA H 89 4.026 4.026 4.312 -0.286 25443 493 1 . 1 1 89 89 TYR C C 89 173.155 173.155 173.340 -0.185 25443 494 1 . 1 1 89 89 TYR CA C 89 57.493 57.493 57.026 0.467 25443 495 1 . 1 1 89 89 TYR CB C 89 39.829 39.829 41.503 -1.675 25443 496 1 . 1 1 89 89 TYR H H 89 8.176 8.176 8.134 0.042 25443 497 1 . 1 1 90 90 ARG N N 90 129.004 129.004 126.269 2.735 25443 498 1 . 1 1 90 90 ARG HA H 90 4.398 4.398 4.434 -0.036 25443 499 1 . 1 1 90 90 ARG CA C 90 51.548 51.548 52.251 -0.703 25443 500 1 . 1 1 90 90 ARG CB C 90 30.882 30.882 30.528 0.354 25443 501 1 . 1 1 90 90 ARG H H 90 7.078 7.078 7.770 -0.692 25443 502 1 . 1 1 91 91 PRO HA H 91 4.155 4.155 4.221 -0.066 25443 503 1 . 1 1 91 91 PRO C C 91 176.340 176.340 176.309 0.031 25443 504 1 . 1 1 91 91 PRO CA C 91 62.454 62.454 62.545 -0.091 25443 505 1 . 1 1 91 91 PRO CB C 91 33.072 33.072 31.835 1.237 25443 506 1 . 1 1 92 92 LYS N N 92 119.682 119.682 123.526 -3.844 25443 507 1 . 1 1 92 92 LYS CA C 92 54.711 54.711 55.065 -0.354 25443 508 1 . 1 1 92 92 LYS H H 92 8.644 8.644 8.350 0.294 25443 509 1 . 1 1 93 93 ARG C C 93 178.899 178.899 177.784 1.115 25443 510 1 . 1 1 93 93 ARG CA C 93 59.125 59.125 58.751 0.374 25443 511 1 . 1 1 94 94 SER N N 94 112.166 112.166 114.914 -2.748 25443 512 1 . 1 1 94 94 SER HA H 94 4.176 4.176 4.345 -0.169 25443 513 1 . 1 1 94 94 SER C C 94 175.776 175.776 175.144 0.632 25443 514 1 . 1 1 94 94 SER CA C 94 60.031 60.031 60.509 -0.478 25443 515 1 . 1 1 94 94 SER CB C 94 62.152 62.152 62.939 -0.787 25443 516 1 . 1 1 94 94 SER H H 94 8.299 8.299 8.275 0.024 25443 517 1 . 1 1 95 95 LEU N N 95 122.179 122.179 120.840 1.339 25443 518 1 . 1 1 95 95 LEU HA H 95 4.651 4.651 4.689 -0.038 25443 519 1 . 1 1 95 95 LEU C C 95 175.381 175.381 176.908 -1.527 25443 520 1 . 1 1 95 95 LEU CA C 95 53.934 53.934 53.503 0.431 25443 521 1 . 1 1 95 95 LEU CB C 95 41.861 41.861 41.478 0.383 25443 522 1 . 1 1 95 95 LEU H H 95 7.159 7.159 7.573 -0.414 25443 523 1 . 1 1 96 96 GLN N N 96 118.834 118.834 120.450 -1.616 25443 524 1 . 1 1 96 96 GLN HA H 96 4.030 4.030 4.103 -0.073 25443 525 1 . 1 1 96 96 GLN C C 96 177.751 177.751 177.517 0.234 25443 526 1 . 1 1 96 96 GLN CA C 96 60.705 60.705 59.185 1.520 25443 527 1 . 1 1 96 96 GLN CB C 96 28.822 28.822 28.272 0.550 25443 528 1 . 1 1 96 96 GLN H H 96 7.329 7.329 7.718 -0.389 25443 529 1 . 1 1 97 97 LYS N N 97 116.469 116.469 119.909 -3.440 25443 530 1 . 1 1 97 97 LYS HA H 97 4.060 4.060 4.077 -0.017 25443 531 1 . 1 1 97 97 LYS C C 97 179.164 179.164 178.843 0.321 25443 532 1 . 1 1 97 97 LYS CA C 97 59.430 59.430 59.110 0.319 25443 533 1 . 1 1 97 97 LYS CB C 97 31.511 31.511 31.798 -0.287 25443 534 1 . 1 1 97 97 LYS H H 97 8.614 8.614 8.301 0.313 25443 535 1 . 1 1 98 98 TYR N N 98 124.165 124.165 121.242 2.923 25443 536 1 . 1 1 98 98 TYR HA H 98 4.079 4.079 4.105 -0.026 25443 537 1 . 1 1 98 98 TYR C C 98 177.316 177.316 177.881 -0.565 25443 538 1 . 1 1 98 98 TYR CA C 98 62.205 62.205 62.015 0.191 25443 539 1 . 1 1 98 98 TYR CB C 98 37.162 37.162 38.416 -1.254 25443 540 1 . 1 1 98 98 TYR H H 98 7.585 7.585 7.759 -0.174 25443 541 1 . 1 1 99 99 TYR N N 99 117.955 117.955 117.769 0.186 25443 542 1 . 1 1 99 99 TYR HA H 99 5.078 5.078 4.174 0.904 25443 543 1 . 1 1 99 99 TYR C C 99 180.957 180.957 178.406 2.551 25443 544 1 . 1 1 99 99 TYR CA C 99 57.741 57.741 61.334 -3.593 25443 545 1 . 1 1 99 99 TYR CB C 99 37.083 37.083 37.834 -0.751 25443 546 1 . 1 1 99 99 TYR H H 99 8.660 8.660 7.955 0.705 25443 547 1 . 1 1 100 100 GLU N N 100 118.796 118.796 119.436 -0.640 25443 548 1 . 1 1 100 100 GLU HA H 100 4.024 4.024 3.951 0.073 25443 549 1 . 1 1 100 100 GLU C C 100 178.571 178.571 178.710 -0.139 25443 550 1 . 1 1 100 100 GLU CA C 100 59.400 59.400 59.331 0.069 25443 551 1 . 1 1 100 100 GLU CB C 100 29.660 29.660 29.418 0.242 25443 552 1 . 1 1 100 100 GLU H H 100 8.263 8.263 8.477 -0.214 25443 553 1 . 1 1 101 101 ALA N N 101 123.346 123.346 122.321 1.025 25443 554 1 . 1 1 101 101 ALA HA H 101 4.244 4.244 4.084 0.159 25443 555 1 . 1 1 101 101 ALA C C 101 181.331 181.331 179.810 1.521 25443 556 1 . 1 1 101 101 ALA CA C 101 54.851 54.851 55.115 -0.264 25443 557 1 . 1 1 101 101 ALA CB C 101 18.559 18.559 18.385 0.175 25443 558 1 . 1 1 101 101 ALA H H 101 7.966 7.966 8.052 -0.086 25443 559 1 . 1 1 102 102 VAL N N 102 120.241 120.241 118.312 1.929 25443 560 1 . 1 1 102 102 VAL HA H 102 3.713 3.713 3.530 0.183 25443 561 1 . 1 1 102 102 VAL C C 102 176.967 176.967 177.752 -0.785 25443 562 1 . 1 1 102 102 VAL CA C 102 67.433 67.433 66.294 1.139 25443 563 1 . 1 1 102 102 VAL CB C 102 31.721 31.721 31.361 0.360 25443 564 1 . 1 1 102 102 VAL H H 102 8.331 8.331 7.914 0.417 25443 565 1 . 1 1 103 103 LYS N N 103 120.001 120.001 120.546 -0.545 25443 566 1 . 1 1 103 103 LYS HA H 103 3.859 3.859 3.945 -0.086 25443 567 1 . 1 1 103 103 LYS C C 103 178.500 178.500 178.673 -0.173 25443 568 1 . 1 1 103 103 LYS CA C 103 59.652 59.652 59.854 -0.202 25443 569 1 . 1 1 103 103 LYS CB C 103 32.040 32.040 32.280 -0.240 25443 570 1 . 1 1 103 103 LYS H H 103 8.201 8.201 8.072 0.129 25443 571 1 . 1 1 104 104 GLU N N 104 116.335 116.335 118.088 -1.753 25443 572 1 . 1 1 104 104 GLU HA H 104 3.928 3.928 4.055 -0.127 25443 573 1 . 1 1 104 104 GLU C C 104 178.645 178.645 179.015 -0.371 25443 574 1 . 1 1 104 104 GLU CA C 104 59.110 59.110 59.233 -0.123 25443 575 1 . 1 1 104 104 GLU CB C 104 29.607 29.607 29.191 0.416 25443 576 1 . 1 1 104 104 GLU H H 104 7.909 7.909 8.288 -0.379 25443 577 1 . 1 1 105 105 GLU N N 105 119.210 119.210 119.910 -0.700 25443 578 1 . 1 1 105 105 GLU HA H 105 3.844 3.844 4.138 -0.294 25443 579 1 . 1 1 105 105 GLU C C 105 178.613 178.613 178.954 -0.341 25443 580 1 . 1 1 105 105 GLU CA C 105 58.162 58.162 58.561 -0.399 25443 581 1 . 1 1 105 105 GLU CB C 105 29.754 29.754 29.384 0.370 25443 582 1 . 1 1 105 105 GLU H H 105 7.257 7.257 7.759 -0.502 25443 583 1 . 1 1 106 106 LEU N N 106 117.408 117.408 119.665 -2.257 25443 584 1 . 1 1 106 106 LEU HA H 106 3.976 3.976 4.054 -0.078 25443 585 1 . 1 1 106 106 LEU C C 106 178.646 178.646 178.922 -0.276 25443 586 1 . 1 1 106 106 LEU CA C 106 56.699 56.699 57.784 -1.085 25443 587 1 . 1 1 106 106 LEU CB C 106 40.455 40.455 41.723 -1.268 25443 588 1 . 1 1 106 106 LEU H H 106 8.169 8.169 7.999 0.170 25443 589 1 . 1 1 107 107 ASP N N 107 119.073 119.073 119.346 -0.273 25443 590 1 . 1 1 107 107 ASP HA H 107 4.521 4.521 4.330 0.191 25443 591 1 . 1 1 107 107 ASP C C 107 177.069 177.069 178.370 -1.301 25443 592 1 . 1 1 107 107 ASP CA C 107 55.099 55.099 57.689 -2.590 25443 593 1 . 1 1 107 107 ASP CB C 107 40.670 40.670 40.795 -0.125 25443 594 1 . 1 1 107 107 ASP H H 107 8.003 8.003 8.350 -0.347 25443 595 1 . 1 1 108 108 ARG N N 108 120.705 120.705 118.050 2.655 25443 596 1 . 1 1 108 108 ARG HA H 108 4.067 4.067 4.113 -0.046 25443 597 1 . 1 1 108 108 ARG C C 108 176.990 176.990 177.963 -0.973 25443 598 1 . 1 1 108 108 ARG CA C 108 57.517 57.517 58.536 -1.019 25443 599 1 . 1 1 108 108 ARG CB C 108 30.407 30.407 30.059 0.348 25443 600 1 . 1 1 108 108 ARG H H 108 7.603 7.603 7.773 -0.170 25443 601 1 . 1 1 109 109 ASP N N 109 120.246 120.246 119.209 1.037 25443 602 1 . 1 1 109 109 ASP HA H 109 4.521 4.521 4.497 0.024 25443 603 1 . 1 1 109 109 ASP C C 109 176.630 176.630 177.996 -1.366 25443 604 1 . 1 1 109 109 ASP CA C 109 55.028 55.028 56.666 -1.638 25443 605 1 . 1 1 109 109 ASP CB C 109 40.936 40.936 41.080 -0.144 25443 606 1 . 1 1 109 109 ASP H H 109 8.226 8.226 7.802 0.424 25443 607 1 . 1 1 110 110 ILE N N 110 120.386 120.386 119.000 1.386 25443 608 1 . 1 1 110 110 ILE HA H 110 3.987 3.987 3.853 0.134 25443 609 1 . 1 1 110 110 ILE C C 110 176.996 176.996 177.524 -0.528 25443 610 1 . 1 1 110 110 ILE CA C 110 62.241 62.241 63.731 -1.490 25443 611 1 . 1 1 110 110 ILE CB C 110 38.359 38.359 38.406 -0.047 25443 612 1 . 1 1 110 110 ILE H H 110 7.863 7.863 7.781 0.082 25443 613 1 . 1 1 111 111 VAL N N 111 122.548 122.548 116.358 6.190 25443 614 1 . 1 1 111 111 VAL HA H 111 3.946 3.946 3.718 0.228 25443 615 1 . 1 1 111 111 VAL C C 111 176.938 176.938 176.147 0.791 25443 616 1 . 1 1 111 111 VAL CA C 111 63.499 63.499 64.591 -1.092 25443 617 1 . 1 1 111 111 VAL CB C 111 32.223 32.223 31.264 0.959 25443 618 1 . 1 1 111 111 VAL H H 111 8.016 8.016 7.965 0.051 25443 619 1 . 1 1 112 112 SER N N 112 117.984 117.984 115.192 2.792 25443 620 1 . 1 1 112 112 SER HA H 112 4.317 4.317 4.432 -0.115 25443 621 1 . 1 1 112 112 SER C C 112 175.154 175.154 173.886 1.268 25443 622 1 . 1 1 112 112 SER CA C 112 59.025 59.025 58.913 0.112 25443 623 1 . 1 1 112 112 SER CB C 112 63.419 63.419 63.381 0.038 25443 624 1 . 1 1 112 112 SER H H 112 8.187 8.187 8.057 0.130 25443 625 1 . 1 1 113 113 LYS N N 113 122.727 122.727 123.550 -0.823 25443 626 1 . 1 1 113 113 LYS HA H 113 4.209 4.209 4.311 -0.102 25443 627 1 . 1 1 113 113 LYS C C 113 176.713 176.713 176.007 0.706 25443 628 1 . 1 1 113 113 LYS CA C 113 56.844 56.844 56.420 0.424 25443 629 1 . 1 1 113 113 LYS CB C 113 32.794 32.794 32.433 0.361 25443 630 1 . 1 1 113 113 LYS H H 113 8.152 8.152 8.229 -0.077 25443 631 1 . 1 1 114 114 ASN N N 114 118.886 118.886 120.408 -1.522 25443 632 1 . 1 1 114 114 ASN C C 114 175.227 175.227 175.118 0.109 25443 633 1 . 1 1 114 114 ASN CA C 114 53.549 53.549 53.708 -0.159 25443 634 1 . 1 1 114 114 ASN H H 114 8.261 8.261 8.434 -0.173 25443 635 1 . 1 1 115 115 ASN N N 115 119.345 119.345 119.080 0.265 25443 636 1 . 1 1 115 115 ASN C C 115 174.896 174.896 174.707 0.189 25443 637 1 . 1 1 115 115 ASN CA C 115 53.476 53.476 53.984 -0.508 25443 638 1 . 1 1 115 115 ASN H H 115 8.257 8.257 8.471 -0.214 25443 639 1 . 1 1 116 116 ALA N N 116 123.669 123.669 123.307 0.362 25443 640 1 . 1 1 116 116 ALA HA H 116 4.254 4.254 4.367 -0.113 25443 641 1 . 1 1 116 116 ALA C C 116 177.567 177.567 176.844 0.723 25443 642 1 . 1 1 116 116 ALA CA C 116 52.678 52.678 52.512 0.166 25443 643 1 . 1 1 116 116 ALA CB C 116 19.243 19.243 19.254 -0.011 25443 644 1 . 1 1 116 116 ALA H H 116 8.094 8.094 7.976 0.118 25443 645 1 . 1 1 117 117 GLU N N 117 120.083 120.083 119.909 0.174 25443 646 1 . 1 1 117 117 GLU C C 117 175.564 175.564 175.934 -0.370 25443 647 1 . 1 1 117 117 GLU CA C 117 56.602 56.602 56.309 0.293 25443 648 1 . 1 1 117 117 GLU H H 117 8.221 8.221 8.421 -0.200 25443 stop_ save_