data_19285 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19285 _Entry.PDB_ID 2M97 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 19285 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 GLU N N 2 122.304 122.304 122.757 -0.453 19285 2 1 1 . 1 1 2 2 GLU HA H 2 4.059 4.059 4.153 -0.094 19285 3 1 1 . 1 1 2 2 GLU C C 2 178.560 178.560 178.333 0.227 19285 4 1 1 . 1 1 2 2 GLU CA C 2 59.898 59.898 59.250 0.648 19285 5 1 1 . 1 1 2 2 GLU CB C 2 29.215 29.215 29.572 -0.357 19285 6 1 1 . 1 1 2 2 GLU H H 2 8.881 8.881 8.781 0.100 19285 7 1 1 . 1 1 3 3 GLU N N 3 120.033 120.033 118.297 1.736 19285 8 1 1 . 1 1 3 3 GLU HA H 3 4.155 4.155 4.144 0.011 19285 9 1 1 . 1 1 3 3 GLU C C 3 179.048 179.048 179.092 -0.044 19285 10 1 1 . 1 1 3 3 GLU CA C 3 59.270 59.270 59.614 -0.344 19285 11 1 1 . 1 1 3 3 GLU CB C 3 29.343 29.343 29.387 -0.044 19285 12 1 1 . 1 1 3 3 GLU H H 3 8.528 8.528 8.696 -0.168 19285 13 1 1 . 1 1 4 4 GLU N N 4 120.958 120.958 119.827 1.131 19285 14 1 1 . 1 1 4 4 GLU HA H 4 4.176 4.176 4.179 -0.003 19285 15 1 1 . 1 1 4 4 GLU C C 4 179.840 179.840 178.898 0.942 19285 16 1 1 . 1 1 4 4 GLU CA C 4 58.953 58.953 58.815 0.139 19285 17 1 1 . 1 1 4 4 GLU CB C 4 29.586 29.586 29.582 0.004 19285 18 1 1 . 1 1 4 4 GLU H H 4 8.101 8.101 7.584 0.517 19285 19 1 1 . 1 1 5 5 LEU N N 5 120.900 120.900 120.646 0.254 19285 20 1 1 . 1 1 5 5 LEU HA H 5 4.395 4.395 4.311 0.084 19285 21 1 1 . 1 1 5 5 LEU C C 5 179.432 179.432 179.049 0.383 19285 22 1 1 . 1 1 5 5 LEU CA C 5 57.940 57.940 57.488 0.452 19285 23 1 1 . 1 1 5 5 LEU CB C 5 41.647 41.647 41.433 0.214 19285 24 1 1 . 1 1 5 5 LEU H H 5 8.570 8.570 8.422 0.148 19285 25 1 1 . 1 1 6 6 SER N N 6 116.354 116.354 116.426 -0.072 19285 26 1 1 . 1 1 6 6 SER HA H 6 4.261 4.261 4.445 -0.184 19285 27 1 1 . 1 1 6 6 SER C C 6 176.745 176.745 176.847 -0.102 19285 28 1 1 . 1 1 6 6 SER CA C 6 61.992 61.992 62.434 -0.442 19285 29 1 1 . 1 1 6 6 SER CB C 6 62.341 62.341 62.964 -0.623 19285 30 1 1 . 1 1 6 6 SER H H 6 8.604 8.604 8.392 0.212 19285 31 1 1 . 1 1 7 7 GLU N N 7 122.072 122.072 122.096 -0.024 19285 32 1 1 . 1 1 7 7 GLU HA H 7 4.190 4.190 4.108 0.082 19285 33 1 1 . 1 1 7 7 GLU C C 7 178.189 178.189 178.882 -0.693 19285 34 1 1 . 1 1 7 7 GLU CA C 7 58.831 58.831 59.297 -0.466 19285 35 1 1 . 1 1 7 7 GLU CB C 7 28.965 28.965 29.589 -0.624 19285 36 1 1 . 1 1 7 7 GLU H H 7 7.720 7.720 7.622 0.098 19285 37 1 1 . 1 1 8 8 CYS N N 8 117.904 117.904 118.675 -0.771 19285 38 1 1 . 1 1 8 8 CYS HA H 8 4.053 4.053 3.633 0.420 19285 39 1 1 . 1 1 8 8 CYS C C 8 175.681 175.681 176.512 -0.831 19285 40 1 1 . 1 1 8 8 CYS CA C 8 62.437 62.437 63.587 -1.150 19285 41 1 1 . 1 1 8 8 CYS CB C 8 26.416 26.416 27.534 -1.118 19285 42 1 1 . 1 1 8 8 CYS H H 8 8.019 8.019 8.112 -0.093 19285 43 1 1 . 1 1 9 9 PHE N N 9 119.590 119.590 120.811 -1.221 19285 44 1 1 . 1 1 9 9 PHE HA H 9 3.351 3.351 3.500 -0.149 19285 45 1 1 . 1 1 9 9 PHE C C 9 175.681 175.681 176.715 -1.034 19285 46 1 1 . 1 1 9 9 PHE CA C 9 62.181 62.181 61.905 0.276 19285 47 1 1 . 1 1 9 9 PHE CB C 9 39.277 39.277 38.733 0.544 19285 48 1 1 . 1 1 9 9 PHE H H 9 8.427 8.427 8.696 -0.269 19285 49 1 1 . 1 1 10 10 ARG N N 10 114.910 114.910 117.425 -2.515 19285 50 1 1 . 1 1 10 10 ARG HA H 10 3.953 3.953 3.842 0.111 19285 51 1 1 . 1 1 10 10 ARG C C 10 178.486 178.486 178.070 0.416 19285 52 1 1 . 1 1 10 10 ARG CA C 10 58.967 58.967 59.191 -0.224 19285 53 1 1 . 1 1 10 10 ARG CB C 10 29.948 29.948 30.186 -0.238 19285 54 1 1 . 1 1 10 10 ARG H H 10 7.558 7.558 7.571 -0.013 19285 55 1 1 . 1 1 11 11 ILE N N 11 118.349 118.349 118.186 0.163 19285 56 1 1 . 1 1 11 11 ILE HA H 11 3.582 3.582 3.720 -0.138 19285 57 1 1 . 1 1 11 11 ILE C C 11 178.112 178.112 177.362 0.750 19285 58 1 1 . 1 1 11 11 ILE CA C 11 63.622 63.622 64.113 -0.491 19285 59 1 1 . 1 1 11 11 ILE CB C 11 37.340 37.340 38.131 -0.791 19285 60 1 1 . 1 1 11 11 ILE H H 11 7.592 7.592 7.474 0.118 19285 61 1 1 . 1 1 12 12 PHE N N 12 116.960 116.960 115.124 1.836 19285 62 1 1 . 1 1 12 12 PHE HA H 12 4.477 4.477 4.327 0.150 19285 63 1 1 . 1 1 12 12 PHE C C 12 176.714 176.714 176.522 0.192 19285 64 1 1 . 1 1 12 12 PHE CA C 12 58.669 58.669 56.236 2.433 19285 65 1 1 . 1 1 12 12 PHE CB C 12 39.165 39.165 38.776 0.389 19285 66 1 1 . 1 1 12 12 PHE H H 12 7.554 7.554 7.575 -0.021 19285 67 1 1 . 1 1 13 13 ASP N N 13 119.667 119.667 119.757 -0.090 19285 68 1 1 . 1 1 13 13 ASP HA H 13 4.474 4.474 4.573 -0.099 19285 69 1 1 . 1 1 13 13 ASP C C 13 176.772 176.772 176.367 0.405 19285 70 1 1 . 1 1 13 13 ASP CA C 13 52.106 52.106 52.786 -0.680 19285 71 1 1 . 1 1 13 13 ASP CB C 13 37.794 37.794 38.811 -1.017 19285 72 1 1 . 1 1 13 13 ASP H H 13 7.725 7.725 7.871 -0.146 19285 73 1 1 . 1 1 14 14 LYS N N 14 125.111 125.111 122.898 2.213 19285 74 1 1 . 1 1 14 14 LYS HA H 14 3.933 3.933 4.009 -0.076 19285 75 1 1 . 1 1 14 14 LYS C C 14 178.180 178.180 177.971 0.209 19285 76 1 1 . 1 1 14 14 LYS CA C 14 59.277 59.277 58.495 0.782 19285 77 1 1 . 1 1 14 14 LYS CB C 14 32.988 32.988 32.545 0.443 19285 78 1 1 . 1 1 14 14 LYS H H 14 7.577 7.577 8.029 -0.452 19285 79 1 1 . 1 1 15 15 ASP N N 15 114.010 114.010 117.301 -3.291 19285 80 1 1 . 1 1 15 15 ASP HA H 15 4.588 4.588 4.483 0.105 19285 81 1 1 . 1 1 15 15 ASP C C 15 177.680 177.680 177.173 0.507 19285 82 1 1 . 1 1 15 15 ASP CA C 15 52.565 52.565 55.255 -2.690 19285 83 1 1 . 1 1 15 15 ASP CB C 15 39.322 39.322 41.248 -1.926 19285 84 1 1 . 1 1 15 15 ASP H H 15 8.032 8.032 8.546 -0.514 19285 85 1 1 . 1 1 16 16 GLY N N 16 109.187 109.187 106.601 2.586 19285 86 1 1 . 1 1 16 16 GLY C C 16 175.043 175.043 174.818 0.225 19285 87 1 1 . 1 1 16 16 GLY CA C 16 47.001 47.001 45.265 1.736 19285 88 1 1 . 1 1 16 16 GLY H H 16 7.713 7.713 8.163 -0.450 19285 89 1 1 . 1 1 17 17 ASN N N 17 118.569 118.569 118.496 0.073 19285 90 1 1 . 1 1 17 17 ASN HA H 17 4.600 4.600 4.702 -0.102 19285 91 1 1 . 1 1 17 17 ASN C C 17 176.026 176.026 175.500 0.526 19285 92 1 1 . 1 1 17 17 ASN CA C 17 52.265 52.265 52.459 -0.194 19285 93 1 1 . 1 1 17 17 ASN CB C 17 37.340 37.340 38.694 -1.353 19285 94 1 1 . 1 1 17 17 ASN H H 17 8.118 8.118 8.186 -0.068 19285 95 1 1 . 1 1 18 18 GLY N N 18 112.477 112.477 106.947 5.530 19285 96 1 1 . 1 1 18 18 GLY C C 18 172.479 172.479 172.755 -0.276 19285 97 1 1 . 1 1 18 18 GLY CA C 18 45.110 45.110 45.669 -0.559 19285 98 1 1 . 1 1 18 18 GLY H H 18 10.596 10.596 8.688 1.908 19285 99 1 1 . 1 1 19 19 PHE N N 19 113.792 113.792 112.583 1.209 19285 100 1 1 . 1 1 19 19 PHE HA H 19 5.291 5.291 5.253 0.038 19285 101 1 1 . 1 1 19 19 PHE C C 19 173.646 173.646 173.138 0.508 19285 102 1 1 . 1 1 19 19 PHE CA C 19 55.516 55.516 55.844 -0.328 19285 103 1 1 . 1 1 19 19 PHE CB C 19 43.196 43.196 40.859 2.337 19285 104 1 1 . 1 1 19 19 PHE H H 19 7.500 7.500 6.986 0.514 19285 105 1 1 . 1 1 20 20 ILE N N 20 126.629 126.629 121.790 4.839 19285 106 1 1 . 1 1 20 20 ILE HA H 20 5.051 5.051 4.805 0.246 19285 107 1 1 . 1 1 20 20 ILE C C 20 175.764 175.764 176.006 -0.242 19285 108 1 1 . 1 1 20 20 ILE CA C 20 58.933 58.933 59.603 -0.671 19285 109 1 1 . 1 1 20 20 ILE CB C 20 37.846 37.846 37.548 0.298 19285 110 1 1 . 1 1 20 20 ILE H H 20 9.988 9.988 9.140 0.848 19285 111 1 1 . 1 1 21 21 ASP N N 21 129.797 129.797 128.017 1.780 19285 112 1 1 . 1 1 21 21 ASP HA H 21 5.124 5.124 5.168 -0.044 19285 113 1 1 . 1 1 21 21 ASP C C 21 175.686 175.686 177.340 -1.654 19285 114 1 1 . 1 1 21 21 ASP CA C 21 52.214 52.214 53.428 -1.214 19285 115 1 1 . 1 1 21 21 ASP CB C 21 41.907 41.907 43.598 -1.691 19285 116 1 1 . 1 1 21 21 ASP H H 21 9.322 9.322 9.085 0.237 19285 117 1 1 . 1 1 22 22 ARG N N 22 118.041 118.041 122.828 -4.787 19285 118 1 1 . 1 1 22 22 ARG HA H 22 3.359 3.359 3.019 0.340 19285 119 1 1 . 1 1 22 22 ARG C C 22 178.803 178.803 177.979 0.824 19285 120 1 1 . 1 1 22 22 ARG CA C 22 58.193 58.193 59.889 -1.696 19285 121 1 1 . 1 1 22 22 ARG CB C 22 28.264 28.264 29.801 -1.537 19285 122 1 1 . 1 1 22 22 ARG H H 22 8.564 8.564 8.874 -0.310 19285 123 1 1 . 1 1 23 23 GLU N N 23 122.771 122.771 118.419 4.352 19285 124 1 1 . 1 1 23 23 GLU HA H 23 4.108 4.108 3.973 0.135 19285 125 1 1 . 1 1 23 23 GLU C C 23 180.100 180.100 178.549 1.551 19285 126 1 1 . 1 1 23 23 GLU CA C 23 59.392 59.392 59.728 -0.336 19285 127 1 1 . 1 1 23 23 GLU CB C 23 28.950 28.950 28.761 0.190 19285 128 1 1 . 1 1 23 23 GLU H H 23 8.309 8.309 8.690 -0.381 19285 129 1 1 . 1 1 24 24 GLU N N 24 122.272 122.272 119.662 2.610 19285 130 1 1 . 1 1 24 24 GLU HA H 24 4.179 4.179 4.063 0.116 19285 131 1 1 . 1 1 24 24 GLU C C 24 179.466 179.466 178.758 0.708 19285 132 1 1 . 1 1 24 24 GLU CA C 24 58.237 58.237 58.906 -0.669 19285 133 1 1 . 1 1 24 24 GLU CB C 24 30.455 30.455 29.472 0.983 19285 134 1 1 . 1 1 24 24 GLU H H 24 9.062 9.062 8.300 0.762 19285 135 1 1 . 1 1 25 25 PHE N N 25 118.985 118.985 121.290 -2.305 19285 136 1 1 . 1 1 25 25 PHE HA H 25 4.050 4.050 4.258 -0.208 19285 137 1 1 . 1 1 25 25 PHE C C 25 176.876 176.876 177.070 -0.194 19285 138 1 1 . 1 1 25 25 PHE CA C 25 60.766 60.766 60.929 -0.163 19285 139 1 1 . 1 1 25 25 PHE CB C 25 40.514 40.514 39.107 1.407 19285 140 1 1 . 1 1 25 25 PHE H H 25 8.931 8.931 8.515 0.416 19285 141 1 1 . 1 1 26 26 GLY N N 26 103.509 103.509 106.987 -3.478 19285 142 1 1 . 1 1 26 26 GLY C C 26 175.475 175.475 175.792 -0.317 19285 143 1 1 . 1 1 26 26 GLY CA C 26 47.163 47.163 47.436 -0.273 19285 144 1 1 . 1 1 26 26 GLY H H 26 7.891 7.891 8.283 -0.392 19285 145 1 1 . 1 1 27 27 ASP N N 27 119.470 119.470 122.567 -3.097 19285 146 1 1 . 1 1 27 27 ASP HA H 27 4.545 4.545 4.383 0.162 19285 147 1 1 . 1 1 27 27 ASP C C 27 177.555 177.555 178.546 -0.991 19285 148 1 1 . 1 1 27 27 ASP CA C 27 56.657 56.657 56.839 -0.182 19285 149 1 1 . 1 1 27 27 ASP CB C 27 40.521 40.521 40.405 0.116 19285 150 1 1 . 1 1 27 27 ASP H H 27 7.492 7.492 7.529 -0.037 19285 151 1 1 . 1 1 28 28 ILE N N 28 119.005 119.005 120.813 -1.808 19285 152 1 1 . 1 1 28 28 ILE HA H 28 3.222 3.222 3.039 0.183 19285 153 1 1 . 1 1 28 28 ILE C C 28 178.112 178.112 177.746 0.366 19285 154 1 1 . 1 1 28 28 ILE CA C 28 63.693 63.693 64.797 -1.104 19285 155 1 1 . 1 1 28 28 ILE CB C 28 36.967 36.967 37.453 -0.486 19285 156 1 1 . 1 1 28 28 ILE H H 28 7.290 7.290 7.612 -0.322 19285 157 1 1 . 1 1 29 29 ILE N N 29 118.036 118.036 119.437 -1.401 19285 158 1 1 . 1 1 29 29 ILE HA H 29 3.792 3.792 3.512 0.280 19285 159 1 1 . 1 1 29 29 ILE C C 29 178.396 178.396 178.269 0.127 19285 160 1 1 . 1 1 29 29 ILE CA C 29 61.114 61.114 63.545 -2.431 19285 161 1 1 . 1 1 29 29 ILE CB C 29 36.103 36.103 36.285 -0.182 19285 162 1 1 . 1 1 29 29 ILE H H 29 7.217 7.217 7.873 -0.656 19285 163 1 1 . 1 1 30 30 ARG N N 30 120.280 120.280 120.163 0.117 19285 164 1 1 . 1 1 30 30 ARG HA H 30 4.165 4.165 3.981 0.184 19285 165 1 1 . 1 1 30 30 ARG C C 30 178.243 178.243 179.086 -0.843 19285 166 1 1 . 1 1 30 30 ARG CA C 30 58.528 58.528 59.489 -0.961 19285 167 1 1 . 1 1 30 30 ARG CB C 30 29.873 29.873 30.129 -0.256 19285 168 1 1 . 1 1 30 30 ARG H H 30 7.748 7.748 7.229 0.519 19285 169 1 1 . 1 1 31 31 LEU N N 31 119.077 119.077 118.134 0.943 19285 170 1 1 . 1 1 31 31 LEU HA H 31 4.211 4.211 4.156 0.055 19285 171 1 1 . 1 1 31 31 LEU C C 31 178.573 178.573 178.736 -0.163 19285 172 1 1 . 1 1 31 31 LEU CA C 31 56.866 56.866 57.020 -0.154 19285 173 1 1 . 1 1 31 31 LEU CB C 31 41.900 41.900 42.157 -0.257 19285 174 1 1 . 1 1 31 31 LEU H H 31 7.614 7.614 8.047 -0.433 19285 175 1 1 . 1 1 32 32 THR N N 32 108.038 108.038 108.073 -0.035 19285 176 1 1 . 1 1 32 32 THR HA H 32 4.346 4.346 4.398 -0.052 19285 177 1 1 . 1 1 32 32 THR C C 32 175.796 175.796 175.555 0.241 19285 178 1 1 . 1 1 32 32 THR CA C 32 62.532 62.532 62.270 0.262 19285 179 1 1 . 1 1 32 32 THR CB C 32 70.251 70.251 69.927 0.324 19285 180 1 1 . 1 1 32 32 THR H H 32 7.652 7.652 7.817 -0.165 19285 181 1 1 . 1 1 33 33 GLY N N 33 109.261 109.261 110.664 -1.403 19285 182 1 1 . 1 1 33 33 GLY C C 33 174.020 174.020 174.008 0.012 19285 183 1 1 . 1 1 33 33 GLY CA C 33 45.617 45.617 45.397 0.220 19285 184 1 1 . 1 1 33 33 GLY H H 33 7.812 7.812 7.474 0.338 19285 185 1 1 . 1 1 34 34 GLU N N 34 120.265 120.265 120.325 -0.060 19285 186 1 1 . 1 1 34 34 GLU HA H 34 4.264 4.264 4.434 -0.170 19285 187 1 1 . 1 1 34 34 GLU C C 34 176.124 176.124 175.666 0.458 19285 188 1 1 . 1 1 34 34 GLU CA C 34 56.198 56.198 54.957 1.241 19285 189 1 1 . 1 1 34 34 GLU CB C 34 30.221 30.221 31.250 -1.029 19285 190 1 1 . 1 1 34 34 GLU H H 34 7.857 7.857 8.019 -0.162 19285 191 1 1 . 1 1 35 35 GLN N N 35 122.159 122.159 126.956 -4.797 19285 192 1 1 . 1 1 35 35 GLN HA H 35 4.319 4.319 4.464 -0.145 19285 193 1 1 . 1 1 35 35 GLN C C 35 174.957 174.957 175.020 -0.063 19285 194 1 1 . 1 1 35 35 GLN CA C 35 55.489 55.489 55.264 0.225 19285 195 1 1 . 1 1 35 35 GLN CB C 35 27.772 27.772 28.003 -0.231 19285 196 1 1 . 1 1 35 35 GLN H H 35 8.683 8.683 8.593 0.090 19285 197 1 1 . 1 1 36 36 LEU N N 36 124.703 124.703 125.668 -0.965 19285 198 1 1 . 1 1 36 36 LEU HA H 36 4.764 4.764 4.667 0.097 19285 199 1 1 . 1 1 36 36 LEU C C 36 177.647 177.647 177.232 0.415 19285 200 1 1 . 1 1 36 36 LEU CA C 36 53.868 53.868 53.387 0.481 19285 201 1 1 . 1 1 36 36 LEU CB C 36 44.448 44.448 44.859 -0.411 19285 202 1 1 . 1 1 36 36 LEU H H 36 7.790 7.790 7.771 0.019 19285 203 1 1 . 1 1 37 37 THR N N 37 114.475 114.475 112.695 1.780 19285 204 1 1 . 1 1 37 37 THR HA H 37 4.485 4.485 4.480 0.005 19285 205 1 1 . 1 1 37 37 THR C C 37 175.339 175.339 175.231 0.108 19285 206 1 1 . 1 1 37 37 THR CA C 37 60.591 60.591 60.542 0.049 19285 207 1 1 . 1 1 37 37 THR CB C 37 71.227 71.227 70.806 0.421 19285 208 1 1 . 1 1 37 37 THR H H 37 9.146 9.146 8.454 0.692 19285 209 1 1 . 1 1 38 38 ASP N N 38 120.839 120.839 120.085 0.754 19285 210 1 1 . 1 1 38 38 ASP HA H 38 4.255 4.255 4.362 -0.107 19285 211 1 1 . 1 1 38 38 ASP C C 38 177.870 177.870 178.437 -0.567 19285 212 1 1 . 1 1 38 38 ASP CA C 38 57.889 57.889 57.333 0.556 19285 213 1 1 . 1 1 38 38 ASP CB C 38 39.895 39.895 40.416 -0.521 19285 214 1 1 . 1 1 38 38 ASP H H 38 8.857 8.857 8.820 0.037 19285 215 1 1 . 1 1 39 39 GLU N N 39 118.596 118.596 119.259 -0.663 19285 216 1 1 . 1 1 39 39 GLU HA H 39 4.120 4.120 4.151 -0.031 19285 217 1 1 . 1 1 39 39 GLU C C 39 179.052 179.052 178.386 0.666 19285 218 1 1 . 1 1 39 39 GLU CA C 39 59.662 59.662 58.837 0.826 19285 219 1 1 . 1 1 39 39 GLU CB C 39 28.823 28.823 29.849 -1.026 19285 220 1 1 . 1 1 39 39 GLU H H 39 8.389 8.389 7.878 0.511 19285 221 1 1 . 1 1 40 40 ASP N N 40 121.412 121.412 120.824 0.588 19285 222 1 1 . 1 1 40 40 ASP HA H 40 4.460 4.460 4.665 -0.205 19285 223 1 1 . 1 1 40 40 ASP C C 40 179.307 179.307 178.986 0.321 19285 224 1 1 . 1 1 40 40 ASP CA C 40 57.164 57.164 57.213 -0.049 19285 225 1 1 . 1 1 40 40 ASP CB C 40 41.229 41.229 40.579 0.650 19285 226 1 1 . 1 1 40 40 ASP H H 40 7.768 7.768 7.936 -0.168 19285 227 1 1 . 1 1 41 41 VAL N N 41 121.053 121.053 119.675 1.378 19285 228 1 1 . 1 1 41 41 VAL HA H 41 3.605 3.605 3.740 -0.135 19285 229 1 1 . 1 1 41 41 VAL C C 41 177.685 177.685 177.835 -0.150 19285 230 1 1 . 1 1 41 41 VAL CA C 41 67.286 67.286 67.062 0.224 19285 231 1 1 . 1 1 41 41 VAL CB C 41 31.498 31.498 31.780 -0.282 19285 232 1 1 . 1 1 41 41 VAL H H 41 8.215 8.215 8.398 -0.183 19285 233 1 1 . 1 1 42 42 ASP N N 42 120.507 120.507 120.148 0.359 19285 234 1 1 . 1 1 42 42 ASP HA H 42 4.213 4.213 4.509 -0.296 19285 235 1 1 . 1 1 42 42 ASP C C 42 179.444 179.444 179.022 0.422 19285 236 1 1 . 1 1 42 42 ASP CA C 42 57.744 57.744 57.556 0.188 19285 237 1 1 . 1 1 42 42 ASP CB C 42 40.082 40.082 40.250 -0.168 19285 238 1 1 . 1 1 42 42 ASP H H 42 8.527 8.527 7.787 0.740 19285 239 1 1 . 1 1 43 43 GLU N N 43 121.091 121.091 120.392 0.699 19285 240 1 1 . 1 1 43 43 GLU HA H 43 4.119 4.119 4.075 0.044 19285 241 1 1 . 1 1 43 43 GLU C C 43 178.328 178.328 179.116 -0.788 19285 242 1 1 . 1 1 43 43 GLU CA C 43 59.264 59.264 59.508 -0.244 19285 243 1 1 . 1 1 43 43 GLU CB C 43 29.277 29.277 29.831 -0.554 19285 244 1 1 . 1 1 43 43 GLU H H 43 7.758 7.758 8.057 -0.299 19285 245 1 1 . 1 1 44 44 ILE N N 44 120.248 120.248 119.968 0.280 19285 246 1 1 . 1 1 44 44 ILE HA H 44 3.957 3.957 3.918 0.039 19285 247 1 1 . 1 1 44 44 ILE C C 44 179.412 179.412 178.279 1.133 19285 248 1 1 . 1 1 44 44 ILE CA C 44 64.747 64.747 62.809 1.938 19285 249 1 1 . 1 1 44 44 ILE CB C 44 38.919 38.919 37.005 1.913 19285 250 1 1 . 1 1 44 44 ILE H H 44 7.934 7.934 8.293 -0.359 19285 251 1 1 . 1 1 45 45 PHE N N 45 124.028 124.028 121.955 2.073 19285 252 1 1 . 1 1 45 45 PHE HA H 45 3.126 3.126 3.599 -0.473 19285 253 1 1 . 1 1 45 45 PHE C C 45 176.732 176.732 177.823 -1.091 19285 254 1 1 . 1 1 45 45 PHE CA C 45 62.039 62.039 61.188 0.851 19285 255 1 1 . 1 1 45 45 PHE CB C 45 38.562 38.562 38.639 -0.077 19285 256 1 1 . 1 1 45 45 PHE H H 45 9.019 9.019 8.747 0.272 19285 257 1 1 . 1 1 46 46 GLY N N 46 104.229 104.229 106.226 -1.997 19285 258 1 1 . 1 1 46 46 GLY C C 46 176.365 176.365 175.309 1.056 19285 259 1 1 . 1 1 46 46 GLY CA C 46 47.055 47.055 46.700 0.355 19285 260 1 1 . 1 1 46 46 GLY H H 46 8.219 8.219 8.220 -0.001 19285 261 1 1 . 1 1 47 47 ASP N N 47 119.686 119.686 120.028 -0.342 19285 262 1 1 . 1 1 47 47 ASP HA H 47 4.343 4.343 4.476 -0.133 19285 263 1 1 . 1 1 47 47 ASP C C 47 178.101 178.101 177.560 0.541 19285 264 1 1 . 1 1 47 47 ASP CA C 47 56.235 56.235 56.248 -0.013 19285 265 1 1 . 1 1 47 47 ASP CB C 47 40.558 40.558 40.964 -0.406 19285 266 1 1 . 1 1 47 47 ASP H H 47 8.106 8.106 7.867 0.239 19285 267 1 1 . 1 1 48 48 SER N N 48 113.923 113.923 111.282 2.641 19285 268 1 1 . 1 1 48 48 SER HA H 48 4.281 4.281 4.203 0.078 19285 269 1 1 . 1 1 48 48 SER C C 48 173.432 173.432 174.839 -1.407 19285 270 1 1 . 1 1 48 48 SER CA C 48 59.878 59.878 59.468 0.410 19285 271 1 1 . 1 1 48 48 SER CB C 48 63.709 63.709 63.624 0.085 19285 272 1 1 . 1 1 48 48 SER H H 48 7.567 7.567 7.704 -0.137 19285 273 1 1 . 1 1 49 49 ASP N N 49 121.595 121.595 124.252 -2.657 19285 274 1 1 . 1 1 49 49 ASP HA H 49 4.424 4.424 4.547 -0.123 19285 275 1 1 . 1 1 49 49 ASP C C 49 177.055 177.055 177.152 -0.097 19285 276 1 1 . 1 1 49 49 ASP CA C 49 51.836 51.836 53.022 -1.186 19285 277 1 1 . 1 1 49 49 ASP CB C 49 38.427 38.427 39.319 -0.892 19285 278 1 1 . 1 1 49 49 ASP H H 49 7.323 7.323 7.585 -0.262 19285 279 1 1 . 1 1 50 50 THR N N 50 119.204 119.204 119.089 0.115 19285 280 1 1 . 1 1 50 50 THR HA H 50 3.863 3.863 4.040 -0.177 19285 281 1 1 . 1 1 50 50 THR C C 50 176.041 176.041 175.455 0.586 19285 282 1 1 . 1 1 50 50 THR CA C 50 65.351 65.351 65.337 0.014 19285 283 1 1 . 1 1 50 50 THR CB C 50 68.597 68.597 69.000 -0.403 19285 284 1 1 . 1 1 50 50 THR H H 50 7.841 7.841 8.069 -0.228 19285 285 1 1 . 1 1 51 51 ASP N N 51 117.233 117.233 118.789 -1.556 19285 286 1 1 . 1 1 51 51 ASP HA H 51 4.607 4.607 4.663 -0.056 19285 287 1 1 . 1 1 51 51 ASP C C 51 175.994 175.994 174.991 1.003 19285 288 1 1 . 1 1 51 51 ASP CA C 51 52.795 52.795 54.337 -1.542 19285 289 1 1 . 1 1 51 51 ASP CB C 51 39.098 39.098 40.724 -1.626 19285 290 1 1 . 1 1 51 51 ASP H H 51 7.972 7.972 8.273 -0.301 19285 291 1 1 . 1 1 52 52 LYS N N 52 113.938 113.938 115.615 -1.677 19285 292 1 1 . 1 1 52 52 LYS HA H 52 3.961 3.961 4.095 -0.134 19285 293 1 1 . 1 1 52 52 LYS C C 52 176.126 176.126 175.600 0.526 19285 294 1 1 . 1 1 52 52 LYS CA C 52 56.238 56.238 57.154 -0.916 19285 295 1 1 . 1 1 52 52 LYS CB C 52 28.711 28.711 29.802 -1.091 19285 296 1 1 . 1 1 52 52 LYS H H 52 7.729 7.729 7.729 0.000 19285 297 1 1 . 1 1 53 53 ASN N N 53 117.127 117.127 117.323 -0.196 19285 298 1 1 . 1 1 53 53 ASN HA H 53 4.764 4.764 4.787 -0.023 19285 299 1 1 . 1 1 53 53 ASN C C 53 177.056 177.056 176.208 0.848 19285 300 1 1 . 1 1 53 53 ASN CA C 53 51.626 51.626 52.885 -1.259 19285 301 1 1 . 1 1 53 53 ASN CB C 53 37.742 37.742 39.185 -1.443 19285 302 1 1 . 1 1 53 53 ASN H H 53 8.193 8.193 8.313 -0.120 19285 303 1 1 . 1 1 54 54 GLY N N 54 113.327 113.327 110.170 3.157 19285 304 1 1 . 1 1 54 54 GLY C C 54 172.983 172.983 172.745 0.238 19285 305 1 1 . 1 1 54 54 GLY CA C 54 45.671 45.671 45.669 0.002 19285 306 1 1 . 1 1 54 54 GLY H H 54 10.782 10.782 9.168 1.614 19285 307 1 1 . 1 1 55 55 ARG N N 55 115.634 115.634 115.911 -0.277 19285 308 1 1 . 1 1 55 55 ARG HA H 55 4.826 4.826 5.051 -0.225 19285 309 1 1 . 1 1 55 55 ARG C C 55 173.745 173.745 173.732 0.013 19285 310 1 1 . 1 1 55 55 ARG CA C 55 54.044 54.044 54.294 -0.250 19285 311 1 1 . 1 1 55 55 ARG CB C 55 33.457 33.457 33.030 0.427 19285 312 1 1 . 1 1 55 55 ARG H H 55 7.501 7.501 7.253 0.248 19285 313 1 1 . 1 1 56 56 ILE N N 56 127.446 127.446 121.418 6.028 19285 314 1 1 . 1 1 56 56 ILE HA H 56 5.127 5.127 4.346 0.781 19285 315 1 1 . 1 1 56 56 ILE C C 56 175.886 175.886 174.855 1.031 19285 316 1 1 . 1 1 56 56 ILE CA C 56 58.892 58.892 60.222 -1.330 19285 317 1 1 . 1 1 56 56 ILE CB C 56 36.907 36.907 40.261 -3.354 19285 318 1 1 . 1 1 56 56 ILE H H 56 9.592 9.592 8.762 0.830 19285 319 1 1 . 1 1 57 57 ASP N N 57 129.499 129.499 127.932 1.567 19285 320 1 1 . 1 1 57 57 ASP HA H 57 5.185 5.185 4.879 0.306 19285 321 1 1 . 1 1 57 57 ASP C C 57 175.630 175.630 177.034 -1.404 19285 322 1 1 . 1 1 57 57 ASP CA C 57 52.329 52.329 53.477 -1.148 19285 323 1 1 . 1 1 57 57 ASP CB C 57 42.175 42.175 42.732 -0.557 19285 324 1 1 . 1 1 57 57 ASP H H 57 9.267 9.267 8.711 0.556 19285 325 1 1 . 1 1 58 58 PHE N N 58 118.391 118.391 121.949 -3.558 19285 326 1 1 . 1 1 58 58 PHE HA H 58 3.761 3.761 3.888 -0.127 19285 327 1 1 . 1 1 58 58 PHE C C 58 176.306 176.306 176.568 -0.262 19285 328 1 1 . 1 1 58 58 PHE CA C 58 61.806 61.806 62.177 -0.371 19285 329 1 1 . 1 1 58 58 PHE CB C 58 38.539 38.539 39.005 -0.466 19285 330 1 1 . 1 1 58 58 PHE H H 58 8.799 8.799 9.148 -0.349 19285 331 1 1 . 1 1 59 59 ASP N N 59 118.077 118.077 117.125 0.952 19285 332 1 1 . 1 1 59 59 ASP HA H 59 4.167 4.167 4.378 -0.211 19285 333 1 1 . 1 1 59 59 ASP C C 59 179.808 179.808 178.767 1.041 19285 334 1 1 . 1 1 59 59 ASP CA C 59 57.781 57.781 57.799 -0.018 19285 335 1 1 . 1 1 59 59 ASP CB C 59 41.399 41.399 39.859 1.540 19285 336 1 1 . 1 1 59 59 ASP H H 59 7.930 7.930 8.657 -0.727 19285 337 1 1 . 1 1 60 60 GLU N N 60 117.047 117.047 119.220 -2.173 19285 338 1 1 . 1 1 60 60 GLU HA H 60 3.967 3.967 4.123 -0.156 19285 339 1 1 . 1 1 60 60 GLU C C 60 180.287 180.287 178.270 2.017 19285 340 1 1 . 1 1 60 60 GLU CA C 60 58.326 58.326 58.423 -0.097 19285 341 1 1 . 1 1 60 60 GLU CB C 60 29.925 29.925 28.942 0.983 19285 342 1 1 . 1 1 60 60 GLU H H 60 7.331 7.331 8.306 -0.975 19285 343 1 1 . 1 1 61 61 PHE N N 61 124.075 124.075 122.525 1.550 19285 344 1 1 . 1 1 61 61 PHE HA H 61 4.155 4.155 4.269 -0.114 19285 345 1 1 . 1 1 61 61 PHE C C 61 176.012 176.012 176.923 -0.911 19285 346 1 1 . 1 1 61 61 PHE CA C 61 61.100 61.100 61.780 -0.680 19285 347 1 1 . 1 1 61 61 PHE CB C 61 39.493 39.493 39.234 0.258 19285 348 1 1 . 1 1 61 61 PHE H H 61 9.079 9.079 8.484 0.595 19285 349 1 1 . 1 1 62 62 LEU N N 62 119.964 119.964 118.083 1.881 19285 350 1 1 . 1 1 62 62 LEU HA H 62 3.501 3.501 3.640 -0.139 19285 351 1 1 . 1 1 62 62 LEU C C 62 179.855 179.855 178.795 1.060 19285 352 1 1 . 1 1 62 62 LEU CA C 62 58.109 58.109 57.742 0.367 19285 353 1 1 . 1 1 62 62 LEU CB C 62 40.495 40.495 41.159 -0.664 19285 354 1 1 . 1 1 62 62 LEU H H 62 8.416 8.416 8.068 0.348 19285 355 1 1 . 1 1 63 63 LYS N N 63 121.221 121.221 117.875 3.346 19285 356 1 1 . 1 1 63 63 LYS HA H 63 4.060 4.060 3.965 0.095 19285 357 1 1 . 1 1 63 63 LYS C C 63 178.875 178.875 178.911 -0.036 19285 358 1 1 . 1 1 63 63 LYS CA C 63 58.288 58.288 59.087 -0.799 19285 359 1 1 . 1 1 63 63 LYS CB C 63 31.683 31.683 32.273 -0.590 19285 360 1 1 . 1 1 63 63 LYS H H 63 8.804 8.804 7.283 1.521 19285 361 1 1 . 1 1 64 64 MET N N 64 119.896 119.896 120.443 -0.547 19285 362 1 1 . 1 1 64 64 MET HA H 64 4.108 4.108 4.084 0.024 19285 363 1 1 . 1 1 64 64 MET C C 64 178.427 178.427 177.443 0.984 19285 364 1 1 . 1 1 64 64 MET CA C 64 58.374 58.374 57.984 0.390 19285 365 1 1 . 1 1 64 64 MET CB C 64 32.200 32.200 32.330 -0.130 19285 366 1 1 . 1 1 64 64 MET H H 64 7.895 7.895 8.062 -0.167 19285 367 1 1 . 1 1 65 65 MET N N 65 116.299 116.299 115.161 1.138 19285 368 1 1 . 1 1 65 65 MET HA H 65 4.337 4.337 4.141 0.196 19285 369 1 1 . 1 1 65 65 MET C C 65 178.184 178.184 177.464 0.720 19285 370 1 1 . 1 1 65 65 MET CA C 65 55.118 55.118 56.901 -1.783 19285 371 1 1 . 1 1 65 65 MET CB C 65 30.790 30.790 31.387 -0.597 19285 372 1 1 . 1 1 65 65 MET H H 65 7.859 7.859 7.950 -0.091 19285 373 1 1 . 1 1 66 66 GLU N N 66 119.624 119.624 116.104 3.520 19285 374 1 1 . 1 1 66 66 GLU HA H 66 4.091 4.091 4.171 -0.080 19285 375 1 1 . 1 1 66 66 GLU C C 66 177.017 177.017 177.760 -0.743 19285 376 1 1 . 1 1 66 66 GLU CA C 66 58.092 58.092 57.784 0.308 19285 377 1 1 . 1 1 66 66 GLU CB C 66 29.619 29.619 29.764 -0.145 19285 378 1 1 . 1 1 66 66 GLU H H 66 7.568 7.568 7.438 0.130 19285 379 1 1 . 1 1 67 67 ASN N N 67 116.153 116.153 115.774 0.379 19285 380 1 1 . 1 1 67 67 ASN HA H 67 4.776 4.776 4.748 0.028 19285 381 1 1 . 1 1 67 67 ASN C C 67 175.231 175.231 175.510 -0.279 19285 382 1 1 . 1 1 67 67 ASN CA C 67 53.440 53.440 54.282 -0.842 19285 383 1 1 . 1 1 67 67 ASN CB C 67 39.284 39.284 39.815 -0.531 19285 384 1 1 . 1 1 67 67 ASN H H 67 7.819 7.819 7.794 0.025 19285 385 1 1 . 1 1 68 68 VAL N N 68 119.217 119.217 120.641 -1.424 19285 386 1 1 . 1 1 68 68 VAL HA H 68 4.147 4.147 4.225 -0.078 19285 387 1 1 . 1 1 68 68 VAL C C 68 175.101 175.101 174.512 0.589 19285 388 1 1 . 1 1 68 68 VAL CA C 68 62.576 62.576 61.182 1.394 19285 389 1 1 . 1 1 68 68 VAL CB C 68 32.250 32.250 32.853 -0.603 19285 390 1 1 . 1 1 68 68 VAL H H 68 7.641 7.641 8.088 -0.447 19285 391 1 2 . 1 1 2 2 GLU N N 2 122.304 122.304 122.560 -0.256 19285 392 1 2 . 1 1 2 2 GLU HA H 2 4.059 4.059 3.968 0.091 19285 393 1 2 . 1 1 2 2 GLU C C 2 178.560 178.560 178.281 0.279 19285 394 1 2 . 1 1 2 2 GLU CA C 2 59.898 59.898 59.837 0.060 19285 395 1 2 . 1 1 2 2 GLU CB C 2 29.215 29.215 29.106 0.109 19285 396 1 2 . 1 1 2 2 GLU H H 2 8.881 8.881 8.898 -0.017 19285 397 1 2 . 1 1 3 3 GLU N N 3 120.033 120.033 120.129 -0.096 19285 398 1 2 . 1 1 3 3 GLU HA H 3 4.155 4.155 4.136 0.019 19285 399 1 2 . 1 1 3 3 GLU C C 3 179.048 179.048 178.875 0.173 19285 400 1 2 . 1 1 3 3 GLU CA C 3 59.270 59.270 59.618 -0.348 19285 401 1 2 . 1 1 3 3 GLU CB C 3 29.343 29.343 29.400 -0.057 19285 402 1 2 . 1 1 3 3 GLU H H 3 8.528 8.528 8.682 -0.154 19285 403 1 2 . 1 1 4 4 GLU N N 4 120.958 120.958 118.550 2.408 19285 404 1 2 . 1 1 4 4 GLU HA H 4 4.176 4.176 4.112 0.064 19285 405 1 2 . 1 1 4 4 GLU C C 4 179.840 179.840 179.182 0.658 19285 406 1 2 . 1 1 4 4 GLU CA C 4 58.953 58.953 59.047 -0.095 19285 407 1 2 . 1 1 4 4 GLU CB C 4 29.586 29.586 29.448 0.138 19285 408 1 2 . 1 1 4 4 GLU H H 4 8.101 8.101 8.473 -0.372 19285 409 1 2 . 1 1 5 5 LEU N N 5 120.900 120.900 120.583 0.317 19285 410 1 2 . 1 1 5 5 LEU HA H 5 4.395 4.395 4.243 0.152 19285 411 1 2 . 1 1 5 5 LEU C C 5 179.432 179.432 179.022 0.410 19285 412 1 2 . 1 1 5 5 LEU CA C 5 57.940 57.940 57.599 0.341 19285 413 1 2 . 1 1 5 5 LEU CB C 5 41.647 41.647 41.350 0.297 19285 414 1 2 . 1 1 5 5 LEU H H 5 8.570 8.570 8.456 0.114 19285 415 1 2 . 1 1 6 6 SER N N 6 116.354 116.354 115.383 0.971 19285 416 1 2 . 1 1 6 6 SER HA H 6 4.261 4.261 4.416 -0.155 19285 417 1 2 . 1 1 6 6 SER C C 6 176.745 176.745 176.900 -0.155 19285 418 1 2 . 1 1 6 6 SER CA C 6 61.992 61.992 62.139 -0.147 19285 419 1 2 . 1 1 6 6 SER CB C 6 62.341 62.341 62.938 -0.597 19285 420 1 2 . 1 1 6 6 SER H H 6 8.604 8.604 8.471 0.133 19285 421 1 2 . 1 1 7 7 GLU N N 7 122.072 122.072 121.919 0.153 19285 422 1 2 . 1 1 7 7 GLU HA H 7 4.190 4.190 4.079 0.111 19285 423 1 2 . 1 1 7 7 GLU C C 7 178.189 178.189 179.008 -0.819 19285 424 1 2 . 1 1 7 7 GLU CA C 7 58.831 58.831 59.381 -0.550 19285 425 1 2 . 1 1 7 7 GLU CB C 7 28.965 28.965 29.591 -0.626 19285 426 1 2 . 1 1 7 7 GLU H H 7 7.720 7.720 7.644 0.076 19285 427 1 2 . 1 1 8 8 CYS N N 8 117.904 117.904 118.591 -0.687 19285 428 1 2 . 1 1 8 8 CYS HA H 8 4.053 4.053 3.668 0.385 19285 429 1 2 . 1 1 8 8 CYS C C 8 175.681 175.681 176.520 -0.839 19285 430 1 2 . 1 1 8 8 CYS CA C 8 62.437 62.437 63.598 -1.161 19285 431 1 2 . 1 1 8 8 CYS CB C 8 26.416 26.416 27.495 -1.079 19285 432 1 2 . 1 1 8 8 CYS H H 8 8.019 8.019 8.281 -0.262 19285 433 1 2 . 1 1 9 9 PHE N N 9 119.590 119.590 121.107 -1.517 19285 434 1 2 . 1 1 9 9 PHE HA H 9 3.351 3.351 3.515 -0.164 19285 435 1 2 . 1 1 9 9 PHE C C 9 175.681 175.681 176.688 -1.007 19285 436 1 2 . 1 1 9 9 PHE CA C 9 62.181 62.181 61.937 0.244 19285 437 1 2 . 1 1 9 9 PHE CB C 9 39.277 39.277 38.784 0.493 19285 438 1 2 . 1 1 9 9 PHE H H 9 8.427 8.427 8.574 -0.147 19285 439 1 2 . 1 1 10 10 ARG N N 10 114.910 114.910 117.587 -2.677 19285 440 1 2 . 1 1 10 10 ARG HA H 10 3.953 3.953 3.893 0.060 19285 441 1 2 . 1 1 10 10 ARG C C 10 178.486 178.486 178.021 0.465 19285 442 1 2 . 1 1 10 10 ARG CA C 10 58.967 58.967 59.271 -0.304 19285 443 1 2 . 1 1 10 10 ARG CB C 10 29.948 29.948 30.176 -0.228 19285 444 1 2 . 1 1 10 10 ARG H H 10 7.558 7.558 7.815 -0.257 19285 445 1 2 . 1 1 11 11 ILE N N 11 118.349 118.349 118.258 0.091 19285 446 1 2 . 1 1 11 11 ILE HA H 11 3.582 3.582 3.739 -0.157 19285 447 1 2 . 1 1 11 11 ILE C C 11 178.112 178.112 177.589 0.523 19285 448 1 2 . 1 1 11 11 ILE CA C 11 63.622 63.622 64.253 -0.631 19285 449 1 2 . 1 1 11 11 ILE CB C 11 37.340 37.340 38.311 -0.971 19285 450 1 2 . 1 1 11 11 ILE H H 11 7.592 7.592 7.400 0.192 19285 451 1 2 . 1 1 12 12 PHE N N 12 116.960 116.960 116.019 0.941 19285 452 1 2 . 1 1 12 12 PHE HA H 12 4.477 4.477 4.262 0.215 19285 453 1 2 . 1 1 12 12 PHE C C 12 176.714 176.714 176.423 0.291 19285 454 1 2 . 1 1 12 12 PHE CA C 12 58.669 58.669 56.470 2.199 19285 455 1 2 . 1 1 12 12 PHE CB C 12 39.165 39.165 38.648 0.517 19285 456 1 2 . 1 1 12 12 PHE H H 12 7.554 7.554 7.633 -0.079 19285 457 1 2 . 1 1 13 13 ASP N N 13 119.667 119.667 119.434 0.233 19285 458 1 2 . 1 1 13 13 ASP HA H 13 4.474 4.474 4.357 0.117 19285 459 1 2 . 1 1 13 13 ASP C C 13 176.772 176.772 176.471 0.301 19285 460 1 2 . 1 1 13 13 ASP CA C 13 52.106 52.106 53.229 -1.123 19285 461 1 2 . 1 1 13 13 ASP CB C 13 37.794 37.794 39.288 -1.494 19285 462 1 2 . 1 1 13 13 ASP H H 13 7.725 7.725 7.752 -0.027 19285 463 1 2 . 1 1 14 14 LYS N N 14 125.111 125.111 122.958 2.153 19285 464 1 2 . 1 1 14 14 LYS HA H 14 3.933 3.933 4.072 -0.139 19285 465 1 2 . 1 1 14 14 LYS C C 14 178.180 178.180 177.386 0.794 19285 466 1 2 . 1 1 14 14 LYS CA C 14 59.277 59.277 58.030 1.247 19285 467 1 2 . 1 1 14 14 LYS CB C 14 32.988 32.988 32.536 0.452 19285 468 1 2 . 1 1 14 14 LYS H H 14 7.577 7.577 7.974 -0.397 19285 469 1 2 . 1 1 15 15 ASP N N 15 114.010 114.010 116.380 -2.370 19285 470 1 2 . 1 1 15 15 ASP HA H 15 4.588 4.588 4.639 -0.051 19285 471 1 2 . 1 1 15 15 ASP C C 15 177.680 177.680 176.915 0.765 19285 472 1 2 . 1 1 15 15 ASP CA C 15 52.565 52.565 54.507 -1.942 19285 473 1 2 . 1 1 15 15 ASP CB C 15 39.322 39.322 41.579 -2.257 19285 474 1 2 . 1 1 15 15 ASP H H 15 8.032 8.032 7.874 0.158 19285 475 1 2 . 1 1 16 16 GLY N N 16 109.187 109.187 107.789 1.398 19285 476 1 2 . 1 1 16 16 GLY C C 16 175.043 175.043 174.913 0.130 19285 477 1 2 . 1 1 16 16 GLY CA C 16 47.001 47.001 45.160 1.841 19285 478 1 2 . 1 1 16 16 GLY H H 16 7.713 7.713 8.314 -0.601 19285 479 1 2 . 1 1 17 17 ASN N N 17 118.569 118.569 118.927 -0.358 19285 480 1 2 . 1 1 17 17 ASN HA H 17 4.600 4.600 4.578 0.022 19285 481 1 2 . 1 1 17 17 ASN C C 17 176.026 176.026 176.362 -0.336 19285 482 1 2 . 1 1 17 17 ASN CA C 17 52.265 52.265 53.134 -0.869 19285 483 1 2 . 1 1 17 17 ASN CB C 17 37.340 37.340 38.586 -1.246 19285 484 1 2 . 1 1 17 17 ASN H H 17 8.118 8.118 8.345 -0.227 19285 485 1 2 . 1 1 18 18 GLY N N 18 112.477 112.477 107.578 4.899 19285 486 1 2 . 1 1 18 18 GLY C C 18 172.479 172.479 173.242 -0.763 19285 487 1 2 . 1 1 18 18 GLY CA C 18 45.110 45.110 45.532 -0.422 19285 488 1 2 . 1 1 18 18 GLY H H 18 10.596 10.596 8.864 1.732 19285 489 1 2 . 1 1 19 19 PHE N N 19 113.792 113.792 112.819 0.973 19285 490 1 2 . 1 1 19 19 PHE HA H 19 5.291 5.291 5.334 -0.043 19285 491 1 2 . 1 1 19 19 PHE C C 19 173.646 173.646 173.269 0.377 19285 492 1 2 . 1 1 19 19 PHE CA C 19 55.516 55.516 55.828 -0.312 19285 493 1 2 . 1 1 19 19 PHE CB C 19 43.196 43.196 41.054 2.142 19285 494 1 2 . 1 1 19 19 PHE H H 19 7.500 7.500 6.988 0.512 19285 495 1 2 . 1 1 20 20 ILE N N 20 126.629 126.629 121.886 4.743 19285 496 1 2 . 1 1 20 20 ILE HA H 20 5.051 5.051 4.883 0.168 19285 497 1 2 . 1 1 20 20 ILE C C 20 175.764 175.764 175.909 -0.145 19285 498 1 2 . 1 1 20 20 ILE CA C 20 58.933 58.933 59.407 -0.475 19285 499 1 2 . 1 1 20 20 ILE CB C 20 37.846 37.846 37.775 0.071 19285 500 1 2 . 1 1 20 20 ILE H H 20 9.988 9.988 9.172 0.816 19285 501 1 2 . 1 1 21 21 ASP N N 21 129.797 129.797 128.189 1.608 19285 502 1 2 . 1 1 21 21 ASP HA H 21 5.124 5.124 5.219 -0.095 19285 503 1 2 . 1 1 21 21 ASP C C 21 175.686 175.686 177.289 -1.603 19285 504 1 2 . 1 1 21 21 ASP CA C 21 52.214 52.214 53.283 -1.069 19285 505 1 2 . 1 1 21 21 ASP CB C 21 41.907 41.907 43.757 -1.850 19285 506 1 2 . 1 1 21 21 ASP H H 21 9.322 9.322 9.079 0.243 19285 507 1 2 . 1 1 22 22 ARG N N 22 118.041 118.041 121.800 -3.759 19285 508 1 2 . 1 1 22 22 ARG HA H 22 3.359 3.359 2.958 0.401 19285 509 1 2 . 1 1 22 22 ARG C C 22 178.803 178.803 178.037 0.766 19285 510 1 2 . 1 1 22 22 ARG CA C 22 58.193 58.193 60.398 -2.205 19285 511 1 2 . 1 1 22 22 ARG CB C 22 28.264 28.264 29.773 -1.509 19285 512 1 2 . 1 1 22 22 ARG H H 22 8.564 8.564 8.846 -0.282 19285 513 1 2 . 1 1 23 23 GLU N N 23 122.771 122.771 118.303 4.468 19285 514 1 2 . 1 1 23 23 GLU HA H 23 4.108 4.108 4.032 0.076 19285 515 1 2 . 1 1 23 23 GLU C C 23 180.100 180.100 178.828 1.272 19285 516 1 2 . 1 1 23 23 GLU CA C 23 59.392 59.392 59.677 -0.285 19285 517 1 2 . 1 1 23 23 GLU CB C 23 28.950 28.950 29.103 -0.153 19285 518 1 2 . 1 1 23 23 GLU H H 23 8.309 8.309 8.743 -0.434 19285 519 1 2 . 1 1 24 24 GLU N N 24 122.272 122.272 120.104 2.168 19285 520 1 2 . 1 1 24 24 GLU HA H 24 4.179 4.179 4.080 0.099 19285 521 1 2 . 1 1 24 24 GLU C C 24 179.466 179.466 178.869 0.597 19285 522 1 2 . 1 1 24 24 GLU CA C 24 58.237 58.237 59.265 -1.028 19285 523 1 2 . 1 1 24 24 GLU CB C 24 30.455 30.455 29.396 1.059 19285 524 1 2 . 1 1 24 24 GLU H H 24 9.062 9.062 8.433 0.629 19285 525 1 2 . 1 1 25 25 PHE N N 25 118.985 118.985 121.271 -2.286 19285 526 1 2 . 1 1 25 25 PHE HA H 25 4.050 4.050 4.260 -0.210 19285 527 1 2 . 1 1 25 25 PHE C C 25 176.876 176.876 177.136 -0.260 19285 528 1 2 . 1 1 25 25 PHE CA C 25 60.766 60.766 60.846 -0.080 19285 529 1 2 . 1 1 25 25 PHE CB C 25 40.514 40.514 39.079 1.435 19285 530 1 2 . 1 1 25 25 PHE H H 25 8.931 8.931 8.598 0.333 19285 531 1 2 . 1 1 26 26 GLY N N 26 103.509 103.509 106.969 -3.460 19285 532 1 2 . 1 1 26 26 GLY C C 26 175.475 175.475 175.870 -0.395 19285 533 1 2 . 1 1 26 26 GLY CA C 26 47.163 47.163 47.301 -0.138 19285 534 1 2 . 1 1 26 26 GLY H H 26 7.891 7.891 8.194 -0.303 19285 535 1 2 . 1 1 27 27 ASP N N 27 119.470 119.470 122.619 -3.149 19285 536 1 2 . 1 1 27 27 ASP HA H 27 4.545 4.545 4.360 0.185 19285 537 1 2 . 1 1 27 27 ASP C C 27 177.555 177.555 178.582 -1.027 19285 538 1 2 . 1 1 27 27 ASP CA C 27 56.657 56.657 56.818 -0.161 19285 539 1 2 . 1 1 27 27 ASP CB C 27 40.521 40.521 40.365 0.156 19285 540 1 2 . 1 1 27 27 ASP H H 27 7.492 7.492 7.691 -0.199 19285 541 1 2 . 1 1 28 28 ILE N N 28 119.005 119.005 120.598 -1.593 19285 542 1 2 . 1 1 28 28 ILE HA H 28 3.222 3.222 3.069 0.153 19285 543 1 2 . 1 1 28 28 ILE C C 28 178.112 178.112 177.761 0.351 19285 544 1 2 . 1 1 28 28 ILE CA C 28 63.693 63.693 64.750 -1.057 19285 545 1 2 . 1 1 28 28 ILE CB C 28 36.967 36.967 37.468 -0.501 19285 546 1 2 . 1 1 28 28 ILE H H 28 7.290 7.290 7.858 -0.568 19285 547 1 2 . 1 1 29 29 ILE N N 29 118.036 118.036 118.786 -0.750 19285 548 1 2 . 1 1 29 29 ILE HA H 29 3.792 3.792 3.632 0.160 19285 549 1 2 . 1 1 29 29 ILE C C 29 178.396 178.396 178.250 0.146 19285 550 1 2 . 1 1 29 29 ILE CA C 29 61.114 61.114 63.419 -2.305 19285 551 1 2 . 1 1 29 29 ILE CB C 29 36.103 36.103 36.291 -0.188 19285 552 1 2 . 1 1 29 29 ILE H H 29 7.217 7.217 7.675 -0.458 19285 553 1 2 . 1 1 30 30 ARG N N 30 120.280 120.280 118.510 1.770 19285 554 1 2 . 1 1 30 30 ARG HA H 30 4.165 4.165 4.102 0.063 19285 555 1 2 . 1 1 30 30 ARG C C 30 178.243 178.243 179.169 -0.926 19285 556 1 2 . 1 1 30 30 ARG CA C 30 58.528 58.528 58.640 -0.112 19285 557 1 2 . 1 1 30 30 ARG CB C 30 29.873 29.873 30.110 -0.237 19285 558 1 2 . 1 1 30 30 ARG H H 30 7.748 7.748 7.467 0.281 19285 559 1 2 . 1 1 31 31 LEU N N 31 119.077 119.077 119.585 -0.508 19285 560 1 2 . 1 1 31 31 LEU HA H 31 4.211 4.211 4.140 0.071 19285 561 1 2 . 1 1 31 31 LEU C C 31 178.573 178.573 178.526 0.047 19285 562 1 2 . 1 1 31 31 LEU CA C 31 56.866 56.866 57.155 -0.289 19285 563 1 2 . 1 1 31 31 LEU CB C 31 41.900 41.900 41.991 -0.091 19285 564 1 2 . 1 1 31 31 LEU H H 31 7.614 7.614 8.025 -0.411 19285 565 1 2 . 1 1 32 32 THR N N 32 108.038 108.038 107.669 0.369 19285 566 1 2 . 1 1 32 32 THR HA H 32 4.346 4.346 4.362 -0.016 19285 567 1 2 . 1 1 32 32 THR C C 32 175.796 175.796 175.774 0.022 19285 568 1 2 . 1 1 32 32 THR CA C 32 62.532 62.532 62.183 0.349 19285 569 1 2 . 1 1 32 32 THR CB C 32 70.251 70.251 69.831 0.420 19285 570 1 2 . 1 1 32 32 THR H H 32 7.652 7.652 7.941 -0.289 19285 571 1 2 . 1 1 33 33 GLY N N 33 109.261 109.261 111.029 -1.768 19285 572 1 2 . 1 1 33 33 GLY C C 33 174.020 174.020 174.079 -0.059 19285 573 1 2 . 1 1 33 33 GLY CA C 33 45.617 45.617 45.176 0.441 19285 574 1 2 . 1 1 33 33 GLY H H 33 7.812 7.812 7.574 0.238 19285 575 1 2 . 1 1 34 34 GLU N N 34 120.265 120.265 119.978 0.287 19285 576 1 2 . 1 1 34 34 GLU HA H 34 4.264 4.264 4.547 -0.283 19285 577 1 2 . 1 1 34 34 GLU C C 34 176.124 176.124 176.252 -0.128 19285 578 1 2 . 1 1 34 34 GLU CA C 34 56.198 56.198 54.743 1.455 19285 579 1 2 . 1 1 34 34 GLU CB C 34 30.221 30.221 31.038 -0.817 19285 580 1 2 . 1 1 34 34 GLU H H 34 7.857 7.857 8.312 -0.455 19285 581 1 2 . 1 1 35 35 GLN N N 35 122.159 122.159 121.366 0.793 19285 582 1 2 . 1 1 35 35 GLN HA H 35 4.319 4.319 4.495 -0.176 19285 583 1 2 . 1 1 35 35 GLN C C 35 174.957 174.957 175.261 -0.304 19285 584 1 2 . 1 1 35 35 GLN CA C 35 55.489 55.489 55.068 0.421 19285 585 1 2 . 1 1 35 35 GLN CB C 35 27.772 27.772 28.206 -0.434 19285 586 1 2 . 1 1 35 35 GLN H H 35 8.683 8.683 8.489 0.194 19285 587 1 2 . 1 1 36 36 LEU N N 36 124.703 124.703 125.343 -0.640 19285 588 1 2 . 1 1 36 36 LEU HA H 36 4.764 4.764 4.671 0.093 19285 589 1 2 . 1 1 36 36 LEU C C 36 177.647 177.647 177.564 0.083 19285 590 1 2 . 1 1 36 36 LEU CA C 36 53.868 53.868 53.879 -0.011 19285 591 1 2 . 1 1 36 36 LEU CB C 36 44.448 44.448 44.873 -0.425 19285 592 1 2 . 1 1 36 36 LEU H H 36 7.790 7.790 8.205 -0.415 19285 593 1 2 . 1 1 37 37 THR N N 37 114.475 114.475 113.287 1.188 19285 594 1 2 . 1 1 37 37 THR HA H 37 4.485 4.485 4.545 -0.060 19285 595 1 2 . 1 1 37 37 THR C C 37 175.339 175.339 175.106 0.233 19285 596 1 2 . 1 1 37 37 THR CA C 37 60.591 60.591 60.481 0.110 19285 597 1 2 . 1 1 37 37 THR CB C 37 71.227 71.227 70.750 0.477 19285 598 1 2 . 1 1 37 37 THR H H 37 9.146 9.146 8.891 0.255 19285 599 1 2 . 1 1 38 38 ASP N N 38 120.839 120.839 121.099 -0.260 19285 600 1 2 . 1 1 38 38 ASP HA H 38 4.255 4.255 4.363 -0.108 19285 601 1 2 . 1 1 38 38 ASP C C 38 177.870 177.870 178.696 -0.826 19285 602 1 2 . 1 1 38 38 ASP CA C 38 57.889 57.889 57.564 0.325 19285 603 1 2 . 1 1 38 38 ASP CB C 38 39.895 39.895 40.273 -0.378 19285 604 1 2 . 1 1 38 38 ASP H H 38 8.857 8.857 8.819 0.038 19285 605 1 2 . 1 1 39 39 GLU N N 39 118.596 118.596 119.342 -0.746 19285 606 1 2 . 1 1 39 39 GLU HA H 39 4.120 4.120 4.090 0.030 19285 607 1 2 . 1 1 39 39 GLU C C 39 179.052 179.052 178.526 0.526 19285 608 1 2 . 1 1 39 39 GLU CA C 39 59.662 59.662 59.202 0.460 19285 609 1 2 . 1 1 39 39 GLU CB C 39 28.823 28.823 29.612 -0.789 19285 610 1 2 . 1 1 39 39 GLU H H 39 8.389 8.389 8.519 -0.130 19285 611 1 2 . 1 1 40 40 ASP N N 40 121.412 121.412 120.987 0.425 19285 612 1 2 . 1 1 40 40 ASP HA H 40 4.460 4.460 4.460 0.000 19285 613 1 2 . 1 1 40 40 ASP C C 40 179.307 179.307 178.976 0.331 19285 614 1 2 . 1 1 40 40 ASP CA C 40 57.164 57.164 57.451 -0.287 19285 615 1 2 . 1 1 40 40 ASP CB C 40 41.229 41.229 40.514 0.716 19285 616 1 2 . 1 1 40 40 ASP H H 40 7.768 7.768 8.002 -0.234 19285 617 1 2 . 1 1 41 41 VAL N N 41 121.053 121.053 119.909 1.144 19285 618 1 2 . 1 1 41 41 VAL HA H 41 3.605 3.605 3.824 -0.219 19285 619 1 2 . 1 1 41 41 VAL C C 41 177.685 177.685 178.058 -0.373 19285 620 1 2 . 1 1 41 41 VAL CA C 41 67.286 67.286 67.069 0.217 19285 621 1 2 . 1 1 41 41 VAL CB C 41 31.498 31.498 31.862 -0.364 19285 622 1 2 . 1 1 41 41 VAL H H 41 8.215 8.215 8.121 0.094 19285 623 1 2 . 1 1 42 42 ASP N N 42 120.507 120.507 119.526 0.981 19285 624 1 2 . 1 1 42 42 ASP HA H 42 4.213 4.213 4.518 -0.305 19285 625 1 2 . 1 1 42 42 ASP C C 42 179.444 179.444 178.791 0.653 19285 626 1 2 . 1 1 42 42 ASP CA C 42 57.744 57.744 57.568 0.176 19285 627 1 2 . 1 1 42 42 ASP CB C 42 40.082 40.082 40.366 -0.284 19285 628 1 2 . 1 1 42 42 ASP H H 42 8.527 8.527 7.844 0.683 19285 629 1 2 . 1 1 43 43 GLU N N 43 121.091 121.091 121.200 -0.109 19285 630 1 2 . 1 1 43 43 GLU HA H 43 4.119 4.119 4.098 0.021 19285 631 1 2 . 1 1 43 43 GLU C C 43 178.328 178.328 179.010 -0.682 19285 632 1 2 . 1 1 43 43 GLU CA C 43 59.264 59.264 59.576 -0.312 19285 633 1 2 . 1 1 43 43 GLU CB C 43 29.277 29.277 29.783 -0.506 19285 634 1 2 . 1 1 43 43 GLU H H 43 7.758 7.758 8.278 -0.520 19285 635 1 2 . 1 1 44 44 ILE N N 44 120.248 120.248 119.972 0.276 19285 636 1 2 . 1 1 44 44 ILE HA H 44 3.957 3.957 3.757 0.200 19285 637 1 2 . 1 1 44 44 ILE C C 44 179.412 179.412 177.976 1.436 19285 638 1 2 . 1 1 44 44 ILE CA C 44 64.747 64.747 65.093 -0.345 19285 639 1 2 . 1 1 44 44 ILE CB C 44 38.919 38.919 38.112 0.807 19285 640 1 2 . 1 1 44 44 ILE H H 44 7.934 7.934 8.109 -0.175 19285 641 1 2 . 1 1 45 45 PHE N N 45 124.028 124.028 120.681 3.347 19285 642 1 2 . 1 1 45 45 PHE HA H 45 3.126 3.126 3.526 -0.400 19285 643 1 2 . 1 1 45 45 PHE C C 45 176.732 176.732 177.360 -0.628 19285 644 1 2 . 1 1 45 45 PHE CA C 45 62.039 62.039 61.722 0.317 19285 645 1 2 . 1 1 45 45 PHE CB C 45 38.562 38.562 38.653 -0.091 19285 646 1 2 . 1 1 45 45 PHE H H 45 9.019 9.019 8.518 0.501 19285 647 1 2 . 1 1 46 46 GLY N N 46 104.229 104.229 106.366 -2.137 19285 648 1 2 . 1 1 46 46 GLY C C 46 176.365 176.365 175.283 1.082 19285 649 1 2 . 1 1 46 46 GLY CA C 46 47.055 47.055 46.830 0.225 19285 650 1 2 . 1 1 46 46 GLY H H 46 8.219 8.219 8.214 0.005 19285 651 1 2 . 1 1 47 47 ASP N N 47 119.686 119.686 120.427 -0.741 19285 652 1 2 . 1 1 47 47 ASP HA H 47 4.343 4.343 4.439 -0.096 19285 653 1 2 . 1 1 47 47 ASP C C 47 178.101 178.101 177.542 0.559 19285 654 1 2 . 1 1 47 47 ASP CA C 47 56.235 56.235 56.083 0.152 19285 655 1 2 . 1 1 47 47 ASP CB C 47 40.558 40.558 40.790 -0.232 19285 656 1 2 . 1 1 47 47 ASP H H 47 8.106 8.106 7.908 0.198 19285 657 1 2 . 1 1 48 48 SER N N 48 113.923 113.923 113.024 0.899 19285 658 1 2 . 1 1 48 48 SER HA H 48 4.281 4.281 4.200 0.081 19285 659 1 2 . 1 1 48 48 SER C C 48 173.432 173.432 174.391 -0.959 19285 660 1 2 . 1 1 48 48 SER CA C 48 59.878 59.878 60.800 -0.922 19285 661 1 2 . 1 1 48 48 SER CB C 48 63.709 63.709 63.483 0.227 19285 662 1 2 . 1 1 48 48 SER H H 48 7.567 7.567 7.906 -0.339 19285 663 1 2 . 1 1 49 49 ASP N N 49 121.595 121.595 121.124 0.471 19285 664 1 2 . 1 1 49 49 ASP HA H 49 4.424 4.424 4.691 -0.267 19285 665 1 2 . 1 1 49 49 ASP C C 49 177.055 177.055 176.750 0.305 19285 666 1 2 . 1 1 49 49 ASP CA C 49 51.836 51.836 53.026 -1.190 19285 667 1 2 . 1 1 49 49 ASP CB C 49 38.427 38.427 39.450 -1.023 19285 668 1 2 . 1 1 49 49 ASP H H 49 7.323 7.323 7.489 -0.166 19285 669 1 2 . 1 1 50 50 THR N N 50 119.204 119.204 115.314 3.890 19285 670 1 2 . 1 1 50 50 THR HA H 50 3.863 3.863 4.200 -0.337 19285 671 1 2 . 1 1 50 50 THR C C 50 176.041 176.041 175.823 0.218 19285 672 1 2 . 1 1 50 50 THR CA C 50 65.351 65.351 63.820 1.531 19285 673 1 2 . 1 1 50 50 THR CB C 50 68.597 68.597 69.154 -0.557 19285 674 1 2 . 1 1 50 50 THR H H 50 7.841 7.841 8.132 -0.291 19285 675 1 2 . 1 1 51 51 ASP N N 51 117.233 117.233 120.990 -3.757 19285 676 1 2 . 1 1 51 51 ASP HA H 51 4.607 4.607 4.675 -0.068 19285 677 1 2 . 1 1 51 51 ASP C C 51 175.994 175.994 175.182 0.812 19285 678 1 2 . 1 1 51 51 ASP CA C 51 52.795 52.795 54.535 -1.740 19285 679 1 2 . 1 1 51 51 ASP CB C 51 39.098 39.098 40.707 -1.609 19285 680 1 2 . 1 1 51 51 ASP H H 51 7.972 7.972 8.308 -0.336 19285 681 1 2 . 1 1 52 52 LYS N N 52 113.938 113.938 116.182 -2.244 19285 682 1 2 . 1 1 52 52 LYS HA H 52 3.961 3.961 4.028 -0.067 19285 683 1 2 . 1 1 52 52 LYS C C 52 176.126 176.126 175.733 0.393 19285 684 1 2 . 1 1 52 52 LYS CA C 52 56.238 56.238 57.195 -0.957 19285 685 1 2 . 1 1 52 52 LYS CB C 52 28.711 28.711 30.038 -1.327 19285 686 1 2 . 1 1 52 52 LYS H H 52 7.729 7.729 7.777 -0.048 19285 687 1 2 . 1 1 53 53 ASN N N 53 117.127 117.127 116.560 0.567 19285 688 1 2 . 1 1 53 53 ASN HA H 53 4.764 4.764 4.741 0.023 19285 689 1 2 . 1 1 53 53 ASN C C 53 177.056 177.056 175.817 1.239 19285 690 1 2 . 1 1 53 53 ASN CA C 53 51.626 51.626 52.493 -0.867 19285 691 1 2 . 1 1 53 53 ASN CB C 53 37.742 37.742 39.097 -1.355 19285 692 1 2 . 1 1 53 53 ASN H H 53 8.193 8.193 8.490 -0.297 19285 693 1 2 . 1 1 54 54 GLY N N 54 113.327 113.327 109.221 4.106 19285 694 1 2 . 1 1 54 54 GLY C C 54 172.983 172.983 172.930 0.053 19285 695 1 2 . 1 1 54 54 GLY CA C 54 45.671 45.671 45.618 0.053 19285 696 1 2 . 1 1 54 54 GLY H H 54 10.782 10.782 8.821 1.961 19285 697 1 2 . 1 1 55 55 ARG N N 55 115.634 115.634 115.462 0.172 19285 698 1 2 . 1 1 55 55 ARG HA H 55 4.826 4.826 4.881 -0.055 19285 699 1 2 . 1 1 55 55 ARG C C 55 173.745 173.745 174.029 -0.284 19285 700 1 2 . 1 1 55 55 ARG CA C 55 54.044 54.044 54.874 -0.831 19285 701 1 2 . 1 1 55 55 ARG CB C 55 33.457 33.457 32.578 0.879 19285 702 1 2 . 1 1 55 55 ARG H H 55 7.501 7.501 8.163 -0.662 19285 703 1 2 . 1 1 56 56 ILE N N 56 127.446 127.446 122.402 5.044 19285 704 1 2 . 1 1 56 56 ILE HA H 56 5.127 5.127 4.684 0.443 19285 705 1 2 . 1 1 56 56 ILE C C 56 175.886 175.886 175.263 0.623 19285 706 1 2 . 1 1 56 56 ILE CA C 56 58.892 58.892 60.660 -1.768 19285 707 1 2 . 1 1 56 56 ILE CB C 56 36.907 36.907 39.141 -2.234 19285 708 1 2 . 1 1 56 56 ILE H H 56 9.592 9.592 8.987 0.605 19285 709 1 2 . 1 1 57 57 ASP N N 57 129.499 129.499 128.198 1.301 19285 710 1 2 . 1 1 57 57 ASP HA H 57 5.185 5.185 4.904 0.281 19285 711 1 2 . 1 1 57 57 ASP C C 57 175.630 175.630 177.049 -1.419 19285 712 1 2 . 1 1 57 57 ASP CA C 57 52.329 52.329 53.413 -1.084 19285 713 1 2 . 1 1 57 57 ASP CB C 57 42.175 42.175 43.104 -0.929 19285 714 1 2 . 1 1 57 57 ASP H H 57 9.267 9.267 8.967 0.300 19285 715 1 2 . 1 1 58 58 PHE N N 58 118.391 118.391 121.763 -3.372 19285 716 1 2 . 1 1 58 58 PHE HA H 58 3.761 3.761 3.761 0.000 19285 717 1 2 . 1 1 58 58 PHE C C 58 176.306 176.306 176.579 -0.273 19285 718 1 2 . 1 1 58 58 PHE CA C 58 61.806 61.806 62.257 -0.451 19285 719 1 2 . 1 1 58 58 PHE CB C 58 38.539 38.539 38.966 -0.427 19285 720 1 2 . 1 1 58 58 PHE H H 58 8.799 8.799 9.113 -0.314 19285 721 1 2 . 1 1 59 59 ASP N N 59 118.077 118.077 116.931 1.146 19285 722 1 2 . 1 1 59 59 ASP HA H 59 4.167 4.167 4.312 -0.145 19285 723 1 2 . 1 1 59 59 ASP C C 59 179.808 179.808 178.894 0.914 19285 724 1 2 . 1 1 59 59 ASP CA C 59 57.781 57.781 57.993 -0.212 19285 725 1 2 . 1 1 59 59 ASP CB C 59 41.399 41.399 39.806 1.593 19285 726 1 2 . 1 1 59 59 ASP H H 59 7.930 7.930 8.757 -0.827 19285 727 1 2 . 1 1 60 60 GLU N N 60 117.047 117.047 120.157 -3.110 19285 728 1 2 . 1 1 60 60 GLU HA H 60 3.967 3.967 4.064 -0.097 19285 729 1 2 . 1 1 60 60 GLU C C 60 180.287 180.287 178.707 1.580 19285 730 1 2 . 1 1 60 60 GLU CA C 60 58.326 58.326 58.963 -0.637 19285 731 1 2 . 1 1 60 60 GLU CB C 60 29.925 29.925 29.517 0.408 19285 732 1 2 . 1 1 60 60 GLU H H 60 7.331 7.331 8.227 -0.896 19285 733 1 2 . 1 1 61 61 PHE N N 61 124.075 124.075 121.885 2.190 19285 734 1 2 . 1 1 61 61 PHE HA H 61 4.155 4.155 4.247 -0.092 19285 735 1 2 . 1 1 61 61 PHE C C 61 176.012 176.012 176.878 -0.866 19285 736 1 2 . 1 1 61 61 PHE CA C 61 61.100 61.100 61.572 -0.472 19285 737 1 2 . 1 1 61 61 PHE CB C 61 39.493 39.493 39.335 0.158 19285 738 1 2 . 1 1 61 61 PHE H H 61 9.079 9.079 8.486 0.593 19285 739 1 2 . 1 1 62 62 LEU N N 62 119.964 119.964 119.897 0.067 19285 740 1 2 . 1 1 62 62 LEU HA H 62 3.501 3.501 3.716 -0.215 19285 741 1 2 . 1 1 62 62 LEU C C 62 179.855 179.855 178.751 1.104 19285 742 1 2 . 1 1 62 62 LEU CA C 62 58.109 58.109 58.227 -0.117 19285 743 1 2 . 1 1 62 62 LEU CB C 62 40.495 40.495 40.936 -0.441 19285 744 1 2 . 1 1 62 62 LEU H H 62 8.416 8.416 8.399 0.017 19285 745 1 2 . 1 1 63 63 LYS N N 63 121.221 121.221 118.087 3.134 19285 746 1 2 . 1 1 63 63 LYS HA H 63 4.060 4.060 3.958 0.102 19285 747 1 2 . 1 1 63 63 LYS C C 63 178.875 178.875 179.031 -0.156 19285 748 1 2 . 1 1 63 63 LYS CA C 63 58.288 58.288 59.171 -0.883 19285 749 1 2 . 1 1 63 63 LYS CB C 63 31.683 31.683 32.285 -0.602 19285 750 1 2 . 1 1 63 63 LYS H H 63 8.804 8.804 7.684 1.121 19285 751 1 2 . 1 1 64 64 MET N N 64 119.896 119.896 121.096 -1.200 19285 752 1 2 . 1 1 64 64 MET HA H 64 4.108 4.108 4.110 -0.002 19285 753 1 2 . 1 1 64 64 MET C C 64 178.427 178.427 177.840 0.587 19285 754 1 2 . 1 1 64 64 MET CA C 64 58.374 58.374 58.127 0.247 19285 755 1 2 . 1 1 64 64 MET CB C 64 32.200 32.200 32.309 -0.109 19285 756 1 2 . 1 1 64 64 MET H H 64 7.895 7.895 8.073 -0.178 19285 757 1 2 . 1 1 65 65 MET N N 65 116.299 116.299 115.608 0.691 19285 758 1 2 . 1 1 65 65 MET HA H 65 4.337 4.337 4.112 0.225 19285 759 1 2 . 1 1 65 65 MET C C 65 178.184 178.184 178.299 -0.115 19285 760 1 2 . 1 1 65 65 MET CA C 65 55.118 55.118 57.394 -2.276 19285 761 1 2 . 1 1 65 65 MET CB C 65 30.790 30.790 31.212 -0.422 19285 762 1 2 . 1 1 65 65 MET H H 65 7.859 7.859 8.137 -0.278 19285 763 1 2 . 1 1 66 66 GLU N N 66 119.624 119.624 117.515 2.109 19285 764 1 2 . 1 1 66 66 GLU HA H 66 4.091 4.091 4.093 -0.002 19285 765 1 2 . 1 1 66 66 GLU C C 66 177.017 177.017 178.681 -1.664 19285 766 1 2 . 1 1 66 66 GLU CA C 66 58.092 58.092 58.146 -0.054 19285 767 1 2 . 1 1 66 66 GLU CB C 66 29.619 29.619 29.710 -0.091 19285 768 1 2 . 1 1 66 66 GLU H H 66 7.568 7.568 7.523 0.045 19285 769 1 2 . 1 1 67 67 ASN N N 67 116.153 116.153 116.075 0.078 19285 770 1 2 . 1 1 67 67 ASN HA H 67 4.776 4.776 4.728 0.048 19285 771 1 2 . 1 1 67 67 ASN C C 67 175.231 175.231 175.392 -0.161 19285 772 1 2 . 1 1 67 67 ASN CA C 67 53.440 53.440 54.425 -0.985 19285 773 1 2 . 1 1 67 67 ASN CB C 67 39.284 39.284 39.576 -0.292 19285 774 1 2 . 1 1 67 67 ASN H H 67 7.819 7.819 7.824 -0.005 19285 775 1 2 . 1 1 68 68 VAL N N 68 119.217 119.217 120.510 -1.293 19285 776 1 2 . 1 1 68 68 VAL HA H 68 4.147 4.147 4.208 -0.061 19285 777 1 2 . 1 1 68 68 VAL C C 68 175.101 175.101 174.222 0.879 19285 778 1 2 . 1 1 68 68 VAL CA C 68 62.576 62.576 61.146 1.430 19285 779 1 2 . 1 1 68 68 VAL CB C 68 32.250 32.250 32.136 0.114 19285 780 1 2 . 1 1 68 68 VAL H H 68 7.641 7.641 8.032 -0.391 19285 781 1 3 . 1 1 2 2 GLU N N 2 122.304 122.304 122.778 -0.474 19285 782 1 3 . 1 1 2 2 GLU HA H 2 4.059 4.059 4.134 -0.075 19285 783 1 3 . 1 1 2 2 GLU C C 2 178.560 178.560 178.294 0.266 19285 784 1 3 . 1 1 2 2 GLU CA C 2 59.898 59.898 59.228 0.670 19285 785 1 3 . 1 1 2 2 GLU CB C 2 29.215 29.215 29.553 -0.338 19285 786 1 3 . 1 1 2 2 GLU H H 2 8.881 8.881 8.773 0.108 19285 787 1 3 . 1 1 3 3 GLU N N 3 120.033 120.033 118.105 1.928 19285 788 1 3 . 1 1 3 3 GLU HA H 3 4.155 4.155 4.124 0.031 19285 789 1 3 . 1 1 3 3 GLU C C 3 179.048 179.048 179.042 0.006 19285 790 1 3 . 1 1 3 3 GLU CA C 3 59.270 59.270 59.428 -0.158 19285 791 1 3 . 1 1 3 3 GLU CB C 3 29.343 29.343 29.338 0.005 19285 792 1 3 . 1 1 3 3 GLU H H 3 8.528 8.528 8.787 -0.259 19285 793 1 3 . 1 1 4 4 GLU N N 4 120.958 120.958 119.895 1.063 19285 794 1 3 . 1 1 4 4 GLU HA H 4 4.176 4.176 4.191 -0.015 19285 795 1 3 . 1 1 4 4 GLU C C 4 179.840 179.840 179.132 0.708 19285 796 1 3 . 1 1 4 4 GLU CA C 4 58.953 58.953 58.615 0.338 19285 797 1 3 . 1 1 4 4 GLU CB C 4 29.586 29.586 29.759 -0.173 19285 798 1 3 . 1 1 4 4 GLU H H 4 8.101 8.101 7.627 0.474 19285 799 1 3 . 1 1 5 5 LEU N N 5 120.900 120.900 120.533 0.367 19285 800 1 3 . 1 1 5 5 LEU HA H 5 4.395 4.395 4.227 0.168 19285 801 1 3 . 1 1 5 5 LEU C C 5 179.432 179.432 179.082 0.350 19285 802 1 3 . 1 1 5 5 LEU CA C 5 57.940 57.940 57.669 0.271 19285 803 1 3 . 1 1 5 5 LEU CB C 5 41.647 41.647 41.709 -0.062 19285 804 1 3 . 1 1 5 5 LEU H H 5 8.570 8.570 8.320 0.250 19285 805 1 3 . 1 1 6 6 SER N N 6 116.354 116.354 116.334 0.020 19285 806 1 3 . 1 1 6 6 SER HA H 6 4.261 4.261 4.412 -0.151 19285 807 1 3 . 1 1 6 6 SER C C 6 176.745 176.745 176.849 -0.104 19285 808 1 3 . 1 1 6 6 SER CA C 6 61.992 61.992 62.353 -0.361 19285 809 1 3 . 1 1 6 6 SER CB C 6 62.341 62.341 62.950 -0.609 19285 810 1 3 . 1 1 6 6 SER H H 6 8.604 8.604 8.659 -0.055 19285 811 1 3 . 1 1 7 7 GLU N N 7 122.072 122.072 121.634 0.438 19285 812 1 3 . 1 1 7 7 GLU HA H 7 4.190 4.190 4.142 0.048 19285 813 1 3 . 1 1 7 7 GLU C C 7 178.189 178.189 178.858 -0.669 19285 814 1 3 . 1 1 7 7 GLU CA C 7 58.831 58.831 59.115 -0.284 19285 815 1 3 . 1 1 7 7 GLU CB C 7 28.965 28.965 29.569 -0.604 19285 816 1 3 . 1 1 7 7 GLU H H 7 7.720 7.720 7.681 0.039 19285 817 1 3 . 1 1 8 8 CYS N N 8 117.904 117.904 118.655 -0.751 19285 818 1 3 . 1 1 8 8 CYS HA H 8 4.053 4.053 3.699 0.354 19285 819 1 3 . 1 1 8 8 CYS C C 8 175.681 175.681 176.511 -0.830 19285 820 1 3 . 1 1 8 8 CYS CA C 8 62.437 62.437 63.594 -1.157 19285 821 1 3 . 1 1 8 8 CYS CB C 8 26.416 26.416 26.599 -0.183 19285 822 1 3 . 1 1 8 8 CYS H H 8 8.019 8.019 7.972 0.047 19285 823 1 3 . 1 1 9 9 PHE N N 9 119.590 119.590 121.084 -1.494 19285 824 1 3 . 1 1 9 9 PHE HA H 9 3.351 3.351 3.444 -0.093 19285 825 1 3 . 1 1 9 9 PHE C C 9 175.681 175.681 176.791 -1.110 19285 826 1 3 . 1 1 9 9 PHE CA C 9 62.181 62.181 62.026 0.155 19285 827 1 3 . 1 1 9 9 PHE CB C 9 39.277 39.277 38.675 0.602 19285 828 1 3 . 1 1 9 9 PHE H H 9 8.427 8.427 8.646 -0.219 19285 829 1 3 . 1 1 10 10 ARG N N 10 114.910 114.910 117.640 -2.730 19285 830 1 3 . 1 1 10 10 ARG HA H 10 3.953 3.953 3.877 0.076 19285 831 1 3 . 1 1 10 10 ARG C C 10 178.486 178.486 178.069 0.417 19285 832 1 3 . 1 1 10 10 ARG CA C 10 58.967 58.967 59.237 -0.270 19285 833 1 3 . 1 1 10 10 ARG CB C 10 29.948 29.948 30.157 -0.209 19285 834 1 3 . 1 1 10 10 ARG H H 10 7.558 7.558 7.568 -0.010 19285 835 1 3 . 1 1 11 11 ILE N N 11 118.349 118.349 118.395 -0.046 19285 836 1 3 . 1 1 11 11 ILE HA H 11 3.582 3.582 3.721 -0.139 19285 837 1 3 . 1 1 11 11 ILE C C 11 178.112 178.112 177.595 0.517 19285 838 1 3 . 1 1 11 11 ILE CA C 11 63.622 63.622 64.303 -0.681 19285 839 1 3 . 1 1 11 11 ILE CB C 11 37.340 37.340 38.243 -0.903 19285 840 1 3 . 1 1 11 11 ILE H H 11 7.592 7.592 7.514 0.078 19285 841 1 3 . 1 1 12 12 PHE N N 12 116.960 116.960 115.773 1.187 19285 842 1 3 . 1 1 12 12 PHE HA H 12 4.477 4.477 4.284 0.193 19285 843 1 3 . 1 1 12 12 PHE C C 12 176.714 176.714 176.428 0.286 19285 844 1 3 . 1 1 12 12 PHE CA C 12 58.669 58.669 56.429 2.240 19285 845 1 3 . 1 1 12 12 PHE CB C 12 39.165 39.165 38.695 0.470 19285 846 1 3 . 1 1 12 12 PHE H H 12 7.554 7.554 7.577 -0.023 19285 847 1 3 . 1 1 13 13 ASP N N 13 119.667 119.667 119.556 0.111 19285 848 1 3 . 1 1 13 13 ASP HA H 13 4.474 4.474 4.398 0.076 19285 849 1 3 . 1 1 13 13 ASP C C 13 176.772 176.772 176.379 0.393 19285 850 1 3 . 1 1 13 13 ASP CA C 13 52.106 52.106 53.078 -0.973 19285 851 1 3 . 1 1 13 13 ASP CB C 13 37.794 37.794 39.218 -1.424 19285 852 1 3 . 1 1 13 13 ASP H H 13 7.725 7.725 7.777 -0.052 19285 853 1 3 . 1 1 14 14 LYS N N 14 125.111 125.111 122.811 2.300 19285 854 1 3 . 1 1 14 14 LYS HA H 14 3.933 3.933 4.092 -0.159 19285 855 1 3 . 1 1 14 14 LYS C C 14 178.180 178.180 177.324 0.856 19285 856 1 3 . 1 1 14 14 LYS CA C 14 59.277 59.277 57.911 1.366 19285 857 1 3 . 1 1 14 14 LYS CB C 14 32.988 32.988 32.557 0.431 19285 858 1 3 . 1 1 14 14 LYS H H 14 7.577 7.577 7.957 -0.380 19285 859 1 3 . 1 1 15 15 ASP N N 15 114.010 114.010 116.699 -2.689 19285 860 1 3 . 1 1 15 15 ASP HA H 15 4.588 4.588 4.634 -0.046 19285 861 1 3 . 1 1 15 15 ASP C C 15 177.680 177.680 176.977 0.703 19285 862 1 3 . 1 1 15 15 ASP CA C 15 52.565 52.565 54.577 -2.012 19285 863 1 3 . 1 1 15 15 ASP CB C 15 39.322 39.322 41.573 -2.251 19285 864 1 3 . 1 1 15 15 ASP H H 15 8.032 8.032 7.839 0.193 19285 865 1 3 . 1 1 16 16 GLY N N 16 109.187 109.187 107.689 1.498 19285 866 1 3 . 1 1 16 16 GLY C C 16 175.043 175.043 174.966 0.077 19285 867 1 3 . 1 1 16 16 GLY CA C 16 47.001 47.001 45.144 1.857 19285 868 1 3 . 1 1 16 16 GLY H H 16 7.713 7.713 8.338 -0.625 19285 869 1 3 . 1 1 17 17 ASN N N 17 118.569 118.569 119.048 -0.479 19285 870 1 3 . 1 1 17 17 ASN HA H 17 4.600 4.600 4.533 0.067 19285 871 1 3 . 1 1 17 17 ASN C C 17 176.026 176.026 176.381 -0.355 19285 872 1 3 . 1 1 17 17 ASN CA C 17 52.265 52.265 53.355 -1.090 19285 873 1 3 . 1 1 17 17 ASN CB C 17 37.340 37.340 38.524 -1.184 19285 874 1 3 . 1 1 17 17 ASN H H 17 8.118 8.118 8.355 -0.237 19285 875 1 3 . 1 1 18 18 GLY N N 18 112.477 112.477 107.323 5.154 19285 876 1 3 . 1 1 18 18 GLY C C 18 172.479 172.479 173.285 -0.806 19285 877 1 3 . 1 1 18 18 GLY CA C 18 45.110 45.110 45.353 -0.243 19285 878 1 3 . 1 1 18 18 GLY H H 18 10.596 10.596 8.808 1.788 19285 879 1 3 . 1 1 19 19 PHE N N 19 113.792 113.792 112.880 0.912 19285 880 1 3 . 1 1 19 19 PHE HA H 19 5.291 5.291 5.320 -0.029 19285 881 1 3 . 1 1 19 19 PHE C C 19 173.646 173.646 173.194 0.452 19285 882 1 3 . 1 1 19 19 PHE CA C 19 55.516 55.516 56.168 -0.652 19285 883 1 3 . 1 1 19 19 PHE CB C 19 43.196 43.196 40.733 2.463 19285 884 1 3 . 1 1 19 19 PHE H H 19 7.500 7.500 7.127 0.373 19285 885 1 3 . 1 1 20 20 ILE N N 20 126.629 126.629 121.834 4.795 19285 886 1 3 . 1 1 20 20 ILE HA H 20 5.051 5.051 4.883 0.168 19285 887 1 3 . 1 1 20 20 ILE C C 20 175.764 175.764 175.865 -0.101 19285 888 1 3 . 1 1 20 20 ILE CA C 20 58.933 58.933 59.468 -0.535 19285 889 1 3 . 1 1 20 20 ILE CB C 20 37.846 37.846 37.950 -0.104 19285 890 1 3 . 1 1 20 20 ILE H H 20 9.988 9.988 9.102 0.886 19285 891 1 3 . 1 1 21 21 ASP N N 21 129.797 129.797 128.158 1.639 19285 892 1 3 . 1 1 21 21 ASP HA H 21 5.124 5.124 5.184 -0.060 19285 893 1 3 . 1 1 21 21 ASP C C 21 175.686 175.686 177.294 -1.608 19285 894 1 3 . 1 1 21 21 ASP CA C 21 52.214 52.214 53.082 -0.868 19285 895 1 3 . 1 1 21 21 ASP CB C 21 41.907 41.907 43.922 -2.015 19285 896 1 3 . 1 1 21 21 ASP H H 21 9.322 9.322 9.115 0.207 19285 897 1 3 . 1 1 22 22 ARG N N 22 118.041 118.041 121.760 -3.719 19285 898 1 3 . 1 1 22 22 ARG HA H 22 3.359 3.359 3.095 0.264 19285 899 1 3 . 1 1 22 22 ARG C C 22 178.803 178.803 178.085 0.718 19285 900 1 3 . 1 1 22 22 ARG CA C 22 58.193 58.193 60.399 -2.206 19285 901 1 3 . 1 1 22 22 ARG CB C 22 28.264 28.264 29.863 -1.599 19285 902 1 3 . 1 1 22 22 ARG H H 22 8.564 8.564 8.842 -0.278 19285 903 1 3 . 1 1 23 23 GLU N N 23 122.771 122.771 118.426 4.345 19285 904 1 3 . 1 1 23 23 GLU HA H 23 4.108 4.108 4.034 0.074 19285 905 1 3 . 1 1 23 23 GLU C C 23 180.100 180.100 178.810 1.290 19285 906 1 3 . 1 1 23 23 GLU CA C 23 59.392 59.392 59.656 -0.264 19285 907 1 3 . 1 1 23 23 GLU CB C 23 28.950 28.950 29.090 -0.140 19285 908 1 3 . 1 1 23 23 GLU H H 23 8.309 8.309 8.751 -0.442 19285 909 1 3 . 1 1 24 24 GLU N N 24 122.272 122.272 119.932 2.340 19285 910 1 3 . 1 1 24 24 GLU HA H 24 4.179 4.179 4.095 0.084 19285 911 1 3 . 1 1 24 24 GLU C C 24 179.466 179.466 178.878 0.588 19285 912 1 3 . 1 1 24 24 GLU CA C 24 58.237 58.237 59.208 -0.971 19285 913 1 3 . 1 1 24 24 GLU CB C 24 30.455 30.455 29.406 1.049 19285 914 1 3 . 1 1 24 24 GLU H H 24 9.062 9.062 8.486 0.576 19285 915 1 3 . 1 1 25 25 PHE N N 25 118.985 118.985 121.294 -2.309 19285 916 1 3 . 1 1 25 25 PHE HA H 25 4.050 4.050 4.270 -0.220 19285 917 1 3 . 1 1 25 25 PHE C C 25 176.876 176.876 177.098 -0.222 19285 918 1 3 . 1 1 25 25 PHE CA C 25 60.766 60.766 60.840 -0.074 19285 919 1 3 . 1 1 25 25 PHE CB C 25 40.514 40.514 39.120 1.394 19285 920 1 3 . 1 1 25 25 PHE H H 25 8.931 8.931 8.562 0.369 19285 921 1 3 . 1 1 26 26 GLY N N 26 103.509 103.509 107.265 -3.756 19285 922 1 3 . 1 1 26 26 GLY C C 26 175.475 175.475 175.827 -0.352 19285 923 1 3 . 1 1 26 26 GLY CA C 26 47.163 47.163 47.435 -0.272 19285 924 1 3 . 1 1 26 26 GLY H H 26 7.891 7.891 8.301 -0.410 19285 925 1 3 . 1 1 27 27 ASP N N 27 119.470 119.470 122.637 -3.167 19285 926 1 3 . 1 1 27 27 ASP HA H 27 4.545 4.545 4.347 0.198 19285 927 1 3 . 1 1 27 27 ASP C C 27 177.555 177.555 178.552 -0.997 19285 928 1 3 . 1 1 27 27 ASP CA C 27 56.657 56.657 56.965 -0.308 19285 929 1 3 . 1 1 27 27 ASP CB C 27 40.521 40.521 40.371 0.150 19285 930 1 3 . 1 1 27 27 ASP H H 27 7.492 7.492 7.619 -0.127 19285 931 1 3 . 1 1 28 28 ILE N N 28 119.005 119.005 120.657 -1.652 19285 932 1 3 . 1 1 28 28 ILE HA H 28 3.222 3.222 3.046 0.176 19285 933 1 3 . 1 1 28 28 ILE C C 28 178.112 178.112 177.804 0.308 19285 934 1 3 . 1 1 28 28 ILE CA C 28 63.693 63.693 64.802 -1.109 19285 935 1 3 . 1 1 28 28 ILE CB C 28 36.967 36.967 37.494 -0.527 19285 936 1 3 . 1 1 28 28 ILE H H 28 7.290 7.290 7.593 -0.303 19285 937 1 3 . 1 1 29 29 ILE N N 29 118.036 118.036 119.628 -1.592 19285 938 1 3 . 1 1 29 29 ILE HA H 29 3.792 3.792 3.576 0.216 19285 939 1 3 . 1 1 29 29 ILE C C 29 178.396 178.396 178.447 -0.051 19285 940 1 3 . 1 1 29 29 ILE CA C 29 61.114 61.114 63.099 -1.985 19285 941 1 3 . 1 1 29 29 ILE CB C 29 36.103 36.103 36.258 -0.155 19285 942 1 3 . 1 1 29 29 ILE H H 29 7.217 7.217 7.842 -0.625 19285 943 1 3 . 1 1 30 30 ARG N N 30 120.280 120.280 119.060 1.220 19285 944 1 3 . 1 1 30 30 ARG HA H 30 4.165 4.165 4.012 0.153 19285 945 1 3 . 1 1 30 30 ARG C C 30 178.243 178.243 179.296 -1.053 19285 946 1 3 . 1 1 30 30 ARG CA C 30 58.528 58.528 59.261 -0.733 19285 947 1 3 . 1 1 30 30 ARG CB C 30 29.873 29.873 30.155 -0.282 19285 948 1 3 . 1 1 30 30 ARG H H 30 7.748 7.748 7.320 0.428 19285 949 1 3 . 1 1 31 31 LEU N N 31 119.077 119.077 119.125 -0.048 19285 950 1 3 . 1 1 31 31 LEU HA H 31 4.211 4.211 4.113 0.098 19285 951 1 3 . 1 1 31 31 LEU C C 31 178.573 178.573 178.770 -0.197 19285 952 1 3 . 1 1 31 31 LEU CA C 31 56.866 56.866 57.201 -0.335 19285 953 1 3 . 1 1 31 31 LEU CB C 31 41.900 41.900 41.999 -0.099 19285 954 1 3 . 1 1 31 31 LEU H H 31 7.614 7.614 8.106 -0.492 19285 955 1 3 . 1 1 32 32 THR N N 32 108.038 108.038 108.231 -0.193 19285 956 1 3 . 1 1 32 32 THR HA H 32 4.346 4.346 4.363 -0.017 19285 957 1 3 . 1 1 32 32 THR C C 32 175.796 175.796 175.462 0.334 19285 958 1 3 . 1 1 32 32 THR CA C 32 62.532 62.532 62.343 0.189 19285 959 1 3 . 1 1 32 32 THR CB C 32 70.251 70.251 69.659 0.592 19285 960 1 3 . 1 1 32 32 THR H H 32 7.652 7.652 7.774 -0.122 19285 961 1 3 . 1 1 33 33 GLY N N 33 109.261 109.261 110.280 -1.019 19285 962 1 3 . 1 1 33 33 GLY C C 33 174.020 174.020 174.630 -0.610 19285 963 1 3 . 1 1 33 33 GLY CA C 33 45.617 45.617 45.391 0.226 19285 964 1 3 . 1 1 33 33 GLY H H 33 7.812 7.812 7.319 0.493 19285 965 1 3 . 1 1 34 34 GLU N N 34 120.265 120.265 120.322 -0.057 19285 966 1 3 . 1 1 34 34 GLU HA H 34 4.264 4.264 4.456 -0.192 19285 967 1 3 . 1 1 34 34 GLU C C 34 176.124 176.124 176.295 -0.171 19285 968 1 3 . 1 1 34 34 GLU CA C 34 56.198 56.198 55.090 1.108 19285 969 1 3 . 1 1 34 34 GLU CB C 34 30.221 30.221 30.576 -0.355 19285 970 1 3 . 1 1 34 34 GLU H H 34 7.857 7.857 8.150 -0.293 19285 971 1 3 . 1 1 35 35 GLN N N 35 122.159 122.159 122.890 -0.731 19285 972 1 3 . 1 1 35 35 GLN HA H 35 4.319 4.319 4.486 -0.167 19285 973 1 3 . 1 1 35 35 GLN C C 35 174.957 174.957 175.216 -0.259 19285 974 1 3 . 1 1 35 35 GLN CA C 35 55.489 55.489 55.043 0.446 19285 975 1 3 . 1 1 35 35 GLN CB C 35 27.772 27.772 27.817 -0.045 19285 976 1 3 . 1 1 35 35 GLN H H 35 8.683 8.683 8.522 0.161 19285 977 1 3 . 1 1 36 36 LEU N N 36 124.703 124.703 124.808 -0.105 19285 978 1 3 . 1 1 36 36 LEU HA H 36 4.764 4.764 4.666 0.098 19285 979 1 3 . 1 1 36 36 LEU C C 36 177.647 177.647 177.252 0.395 19285 980 1 3 . 1 1 36 36 LEU CA C 36 53.868 53.868 53.505 0.363 19285 981 1 3 . 1 1 36 36 LEU CB C 36 44.448 44.448 44.845 -0.397 19285 982 1 3 . 1 1 36 36 LEU H H 36 7.790 7.790 7.933 -0.143 19285 983 1 3 . 1 1 37 37 THR N N 37 114.475 114.475 112.900 1.575 19285 984 1 3 . 1 1 37 37 THR HA H 37 4.485 4.485 4.503 -0.018 19285 985 1 3 . 1 1 37 37 THR C C 37 175.339 175.339 175.188 0.151 19285 986 1 3 . 1 1 37 37 THR CA C 37 60.591 60.591 60.568 0.023 19285 987 1 3 . 1 1 37 37 THR CB C 37 71.227 71.227 70.886 0.341 19285 988 1 3 . 1 1 37 37 THR H H 37 9.146 9.146 8.491 0.655 19285 989 1 3 . 1 1 38 38 ASP N N 38 120.839 120.839 120.438 0.401 19285 990 1 3 . 1 1 38 38 ASP HA H 38 4.255 4.255 4.357 -0.102 19285 991 1 3 . 1 1 38 38 ASP C C 38 177.870 177.870 178.500 -0.630 19285 992 1 3 . 1 1 38 38 ASP CA C 38 57.889 57.889 57.433 0.456 19285 993 1 3 . 1 1 38 38 ASP CB C 38 39.895 39.895 40.420 -0.526 19285 994 1 3 . 1 1 38 38 ASP H H 38 8.857 8.857 8.819 0.038 19285 995 1 3 . 1 1 39 39 GLU N N 39 118.596 118.596 119.323 -0.727 19285 996 1 3 . 1 1 39 39 GLU HA H 39 4.120 4.120 4.123 -0.003 19285 997 1 3 . 1 1 39 39 GLU C C 39 179.052 179.052 178.472 0.580 19285 998 1 3 . 1 1 39 39 GLU CA C 39 59.662 59.662 59.078 0.584 19285 999 1 3 . 1 1 39 39 GLU CB C 39 28.823 28.823 29.692 -0.869 19285 1000 1 3 . 1 1 39 39 GLU H H 39 8.389 8.389 8.031 0.358 19285 1001 1 3 . 1 1 40 40 ASP N N 40 121.412 121.412 120.919 0.493 19285 1002 1 3 . 1 1 40 40 ASP HA H 40 4.460 4.460 4.509 -0.049 19285 1003 1 3 . 1 1 40 40 ASP C C 40 179.307 179.307 179.012 0.295 19285 1004 1 3 . 1 1 40 40 ASP CA C 40 57.164 57.164 57.255 -0.091 19285 1005 1 3 . 1 1 40 40 ASP CB C 40 41.229 41.229 40.632 0.597 19285 1006 1 3 . 1 1 40 40 ASP H H 40 7.768 7.768 7.921 -0.153 19285 1007 1 3 . 1 1 41 41 VAL N N 41 121.053 121.053 120.054 0.999 19285 1008 1 3 . 1 1 41 41 VAL HA H 41 3.605 3.605 3.772 -0.167 19285 1009 1 3 . 1 1 41 41 VAL C C 41 177.685 177.685 177.914 -0.229 19285 1010 1 3 . 1 1 41 41 VAL CA C 41 67.286 67.286 67.061 0.225 19285 1011 1 3 . 1 1 41 41 VAL CB C 41 31.498 31.498 31.881 -0.383 19285 1012 1 3 . 1 1 41 41 VAL H H 41 8.215 8.215 8.407 -0.192 19285 1013 1 3 . 1 1 42 42 ASP N N 42 120.507 120.507 119.703 0.804 19285 1014 1 3 . 1 1 42 42 ASP HA H 42 4.213 4.213 4.479 -0.266 19285 1015 1 3 . 1 1 42 42 ASP C C 42 179.444 179.444 178.729 0.715 19285 1016 1 3 . 1 1 42 42 ASP CA C 42 57.744 57.744 57.570 0.174 19285 1017 1 3 . 1 1 42 42 ASP CB C 42 40.082 40.082 40.287 -0.205 19285 1018 1 3 . 1 1 42 42 ASP H H 42 8.527 8.527 7.950 0.577 19285 1019 1 3 . 1 1 43 43 GLU N N 43 121.091 121.091 121.115 -0.024 19285 1020 1 3 . 1 1 43 43 GLU HA H 43 4.119 4.119 4.082 0.037 19285 1021 1 3 . 1 1 43 43 GLU C C 43 178.328 178.328 178.964 -0.636 19285 1022 1 3 . 1 1 43 43 GLU CA C 43 59.264 59.264 59.549 -0.285 19285 1023 1 3 . 1 1 43 43 GLU CB C 43 29.277 29.277 29.704 -0.427 19285 1024 1 3 . 1 1 43 43 GLU H H 43 7.758 7.758 8.076 -0.318 19285 1025 1 3 . 1 1 44 44 ILE N N 44 120.248 120.248 119.900 0.348 19285 1026 1 3 . 1 1 44 44 ILE HA H 44 3.957 3.957 3.757 0.200 19285 1027 1 3 . 1 1 44 44 ILE C C 44 179.412 179.412 177.973 1.439 19285 1028 1 3 . 1 1 44 44 ILE CA C 44 64.747 64.747 65.097 -0.349 19285 1029 1 3 . 1 1 44 44 ILE CB C 44 38.919 38.919 38.110 0.809 19285 1030 1 3 . 1 1 44 44 ILE H H 44 7.934 7.934 7.895 0.039 19285 1031 1 3 . 1 1 45 45 PHE N N 45 124.028 124.028 121.352 2.676 19285 1032 1 3 . 1 1 45 45 PHE HA H 45 3.126 3.126 3.625 -0.499 19285 1033 1 3 . 1 1 45 45 PHE C C 45 176.732 176.732 177.728 -0.996 19285 1034 1 3 . 1 1 45 45 PHE CA C 45 62.039 62.039 61.110 0.929 19285 1035 1 3 . 1 1 45 45 PHE CB C 45 38.562 38.562 38.694 -0.132 19285 1036 1 3 . 1 1 45 45 PHE H H 45 9.019 9.019 8.468 0.551 19285 1037 1 3 . 1 1 46 46 GLY N N 46 104.229 104.229 105.883 -1.654 19285 1038 1 3 . 1 1 46 46 GLY C C 46 176.365 176.365 175.445 0.920 19285 1039 1 3 . 1 1 46 46 GLY CA C 46 47.055 47.055 46.664 0.391 19285 1040 1 3 . 1 1 46 46 GLY H H 46 8.219 8.219 8.216 0.003 19285 1041 1 3 . 1 1 47 47 ASP N N 47 119.686 119.686 119.943 -0.257 19285 1042 1 3 . 1 1 47 47 ASP HA H 47 4.343 4.343 4.507 -0.164 19285 1043 1 3 . 1 1 47 47 ASP C C 47 178.101 178.101 177.459 0.642 19285 1044 1 3 . 1 1 47 47 ASP CA C 47 56.235 56.235 56.193 0.042 19285 1045 1 3 . 1 1 47 47 ASP CB C 47 40.558 40.558 41.100 -0.542 19285 1046 1 3 . 1 1 47 47 ASP H H 47 8.106 8.106 7.826 0.280 19285 1047 1 3 . 1 1 48 48 SER N N 48 113.923 113.923 111.572 2.351 19285 1048 1 3 . 1 1 48 48 SER HA H 48 4.281 4.281 4.191 0.090 19285 1049 1 3 . 1 1 48 48 SER C C 48 173.432 173.432 174.839 -1.407 19285 1050 1 3 . 1 1 48 48 SER CA C 48 59.878 59.878 59.643 0.235 19285 1051 1 3 . 1 1 48 48 SER CB C 48 63.709 63.709 63.520 0.189 19285 1052 1 3 . 1 1 48 48 SER H H 48 7.567 7.567 7.838 -0.271 19285 1053 1 3 . 1 1 49 49 ASP N N 49 121.595 121.595 123.949 -2.354 19285 1054 1 3 . 1 1 49 49 ASP HA H 49 4.424 4.424 4.729 -0.305 19285 1055 1 3 . 1 1 49 49 ASP C C 49 177.055 177.055 177.177 -0.122 19285 1056 1 3 . 1 1 49 49 ASP CA C 49 51.836 51.836 53.118 -1.282 19285 1057 1 3 . 1 1 49 49 ASP CB C 49 38.427 38.427 39.350 -0.923 19285 1058 1 3 . 1 1 49 49 ASP H H 49 7.323 7.323 7.392 -0.069 19285 1059 1 3 . 1 1 50 50 THR N N 50 119.204 119.204 120.138 -0.934 19285 1060 1 3 . 1 1 50 50 THR HA H 50 3.863 3.863 4.057 -0.194 19285 1061 1 3 . 1 1 50 50 THR C C 50 176.041 176.041 175.550 0.491 19285 1062 1 3 . 1 1 50 50 THR CA C 50 65.351 65.351 65.280 0.071 19285 1063 1 3 . 1 1 50 50 THR CB C 50 68.597 68.597 69.027 -0.430 19285 1064 1 3 . 1 1 50 50 THR H H 50 7.841 7.841 8.186 -0.345 19285 1065 1 3 . 1 1 51 51 ASP N N 51 117.233 117.233 119.013 -1.780 19285 1066 1 3 . 1 1 51 51 ASP HA H 51 4.607 4.607 4.667 -0.060 19285 1067 1 3 . 1 1 51 51 ASP C C 51 175.994 175.994 175.129 0.865 19285 1068 1 3 . 1 1 51 51 ASP CA C 51 52.795 52.795 54.571 -1.776 19285 1069 1 3 . 1 1 51 51 ASP CB C 51 39.098 39.098 40.803 -1.705 19285 1070 1 3 . 1 1 51 51 ASP H H 51 7.972 7.972 8.330 -0.358 19285 1071 1 3 . 1 1 52 52 LYS N N 52 113.938 113.938 115.884 -1.946 19285 1072 1 3 . 1 1 52 52 LYS HA H 52 3.961 3.961 4.102 -0.141 19285 1073 1 3 . 1 1 52 52 LYS C C 52 176.126 176.126 175.740 0.386 19285 1074 1 3 . 1 1 52 52 LYS CA C 52 56.238 56.238 57.184 -0.946 19285 1075 1 3 . 1 1 52 52 LYS CB C 52 28.711 28.711 29.943 -1.232 19285 1076 1 3 . 1 1 52 52 LYS H H 52 7.729 7.729 7.795 -0.066 19285 1077 1 3 . 1 1 53 53 ASN N N 53 117.127 117.127 117.193 -0.066 19285 1078 1 3 . 1 1 53 53 ASN HA H 53 4.764 4.764 4.736 0.028 19285 1079 1 3 . 1 1 53 53 ASN C C 53 177.056 177.056 176.328 0.728 19285 1080 1 3 . 1 1 53 53 ASN CA C 53 51.626 51.626 52.262 -0.636 19285 1081 1 3 . 1 1 53 53 ASN CB C 53 37.742 37.742 38.956 -1.214 19285 1082 1 3 . 1 1 53 53 ASN H H 53 8.193 8.193 8.436 -0.243 19285 1083 1 3 . 1 1 54 54 GLY N N 54 113.327 113.327 109.323 4.004 19285 1084 1 3 . 1 1 54 54 GLY C C 54 172.983 172.983 173.616 -0.633 19285 1085 1 3 . 1 1 54 54 GLY CA C 54 45.671 45.671 45.518 0.153 19285 1086 1 3 . 1 1 54 54 GLY H H 54 10.782 10.782 9.044 1.738 19285 1087 1 3 . 1 1 55 55 ARG N N 55 115.634 115.634 117.647 -2.013 19285 1088 1 3 . 1 1 55 55 ARG HA H 55 4.826 4.826 5.052 -0.226 19285 1089 1 3 . 1 1 55 55 ARG C C 55 173.745 173.745 173.901 -0.156 19285 1090 1 3 . 1 1 55 55 ARG CA C 55 54.044 54.044 53.431 0.613 19285 1091 1 3 . 1 1 55 55 ARG CB C 55 33.457 33.457 33.811 -0.354 19285 1092 1 3 . 1 1 55 55 ARG H H 55 7.501 7.501 8.207 -0.706 19285 1093 1 3 . 1 1 56 56 ILE N N 56 127.446 127.446 121.030 6.416 19285 1094 1 3 . 1 1 56 56 ILE HA H 56 5.127 5.127 4.717 0.410 19285 1095 1 3 . 1 1 56 56 ILE C C 56 175.886 175.886 175.382 0.504 19285 1096 1 3 . 1 1 56 56 ILE CA C 56 58.892 58.892 60.344 -1.452 19285 1097 1 3 . 1 1 56 56 ILE CB C 56 36.907 36.907 39.469 -2.562 19285 1098 1 3 . 1 1 56 56 ILE H H 56 9.592 9.592 8.521 1.071 19285 1099 1 3 . 1 1 57 57 ASP N N 57 129.499 129.499 127.970 1.529 19285 1100 1 3 . 1 1 57 57 ASP HA H 57 5.185 5.185 4.933 0.252 19285 1101 1 3 . 1 1 57 57 ASP C C 57 175.630 175.630 177.021 -1.391 19285 1102 1 3 . 1 1 57 57 ASP CA C 57 52.329 52.329 53.253 -0.924 19285 1103 1 3 . 1 1 57 57 ASP CB C 57 42.175 42.175 43.151 -0.976 19285 1104 1 3 . 1 1 57 57 ASP H H 57 9.267 9.267 8.957 0.309 19285 1105 1 3 . 1 1 58 58 PHE N N 58 118.391 118.391 121.731 -3.340 19285 1106 1 3 . 1 1 58 58 PHE HA H 58 3.761 3.761 3.806 -0.045 19285 1107 1 3 . 1 1 58 58 PHE C C 58 176.306 176.306 176.504 -0.198 19285 1108 1 3 . 1 1 58 58 PHE CA C 58 61.806 61.806 62.043 -0.237 19285 1109 1 3 . 1 1 58 58 PHE CB C 58 38.539 38.539 38.956 -0.417 19285 1110 1 3 . 1 1 58 58 PHE H H 58 8.799 8.799 9.091 -0.292 19285 1111 1 3 . 1 1 59 59 ASP N N 59 118.077 118.077 116.766 1.311 19285 1112 1 3 . 1 1 59 59 ASP HA H 59 4.167 4.167 4.267 -0.100 19285 1113 1 3 . 1 1 59 59 ASP C C 59 179.808 179.808 178.840 0.968 19285 1114 1 3 . 1 1 59 59 ASP CA C 59 57.781 57.781 57.803 -0.022 19285 1115 1 3 . 1 1 59 59 ASP CB C 59 41.399 41.399 39.797 1.602 19285 1116 1 3 . 1 1 59 59 ASP H H 59 7.930 7.930 8.737 -0.807 19285 1117 1 3 . 1 1 60 60 GLU N N 60 117.047 117.047 119.617 -2.570 19285 1118 1 3 . 1 1 60 60 GLU HA H 60 3.967 3.967 4.021 -0.054 19285 1119 1 3 . 1 1 60 60 GLU C C 60 180.287 180.287 178.311 1.976 19285 1120 1 3 . 1 1 60 60 GLU CA C 60 58.326 58.326 59.112 -0.786 19285 1121 1 3 . 1 1 60 60 GLU CB C 60 29.925 29.925 29.442 0.483 19285 1122 1 3 . 1 1 60 60 GLU H H 60 7.331 7.331 8.308 -0.977 19285 1123 1 3 . 1 1 61 61 PHE N N 61 124.075 124.075 121.567 2.508 19285 1124 1 3 . 1 1 61 61 PHE HA H 61 4.155 4.155 4.224 -0.069 19285 1125 1 3 . 1 1 61 61 PHE C C 61 176.012 176.012 176.750 -0.738 19285 1126 1 3 . 1 1 61 61 PHE CA C 61 61.100 61.100 61.662 -0.562 19285 1127 1 3 . 1 1 61 61 PHE CB C 61 39.493 39.493 39.314 0.179 19285 1128 1 3 . 1 1 61 61 PHE H H 61 9.079 9.079 8.371 0.708 19285 1129 1 3 . 1 1 62 62 LEU N N 62 119.964 119.964 118.257 1.707 19285 1130 1 3 . 1 1 62 62 LEU HA H 62 3.501 3.501 3.726 -0.225 19285 1131 1 3 . 1 1 62 62 LEU C C 62 179.855 179.855 179.101 0.754 19285 1132 1 3 . 1 1 62 62 LEU CA C 62 58.109 58.109 57.853 0.256 19285 1133 1 3 . 1 1 62 62 LEU CB C 62 40.495 40.495 41.404 -0.909 19285 1134 1 3 . 1 1 62 62 LEU H H 62 8.416 8.416 8.000 0.416 19285 1135 1 3 . 1 1 63 63 LYS N N 63 121.221 121.221 116.708 4.513 19285 1136 1 3 . 1 1 63 63 LYS HA H 63 4.060 4.060 4.227 -0.167 19285 1137 1 3 . 1 1 63 63 LYS C C 63 178.875 178.875 178.456 0.419 19285 1138 1 3 . 1 1 63 63 LYS CA C 63 58.288 58.288 58.461 -0.173 19285 1139 1 3 . 1 1 63 63 LYS CB C 63 31.683 31.683 32.388 -0.705 19285 1140 1 3 . 1 1 63 63 LYS H H 63 8.804 8.804 7.258 1.546 19285 1141 1 3 . 1 1 64 64 MET N N 64 119.896 119.896 120.073 -0.177 19285 1142 1 3 . 1 1 64 64 MET HA H 64 4.108 4.108 4.137 -0.029 19285 1143 1 3 . 1 1 64 64 MET C C 64 178.427 178.427 177.885 0.542 19285 1144 1 3 . 1 1 64 64 MET CA C 64 58.374 58.374 57.845 0.529 19285 1145 1 3 . 1 1 64 64 MET CB C 64 32.200 32.200 32.575 -0.375 19285 1146 1 3 . 1 1 64 64 MET H H 64 7.895 7.895 7.906 -0.011 19285 1147 1 3 . 1 1 65 65 MET N N 65 116.299 116.299 116.374 -0.075 19285 1148 1 3 . 1 1 65 65 MET HA H 65 4.337 4.337 4.198 0.139 19285 1149 1 3 . 1 1 65 65 MET C C 65 178.184 178.184 178.890 -0.706 19285 1150 1 3 . 1 1 65 65 MET CA C 65 55.118 55.118 56.927 -1.809 19285 1151 1 3 . 1 1 65 65 MET CB C 65 30.790 30.790 30.496 0.294 19285 1152 1 3 . 1 1 65 65 MET H H 65 7.859 7.859 8.174 -0.315 19285 1153 1 3 . 1 1 66 66 GLU N N 66 119.624 119.624 118.445 1.179 19285 1154 1 3 . 1 1 66 66 GLU HA H 66 4.091 4.091 4.074 0.017 19285 1155 1 3 . 1 1 66 66 GLU C C 66 177.017 177.017 177.299 -0.282 19285 1156 1 3 . 1 1 66 66 GLU CA C 66 58.092 58.092 58.577 -0.485 19285 1157 1 3 . 1 1 66 66 GLU CB C 66 29.619 29.619 29.363 0.256 19285 1158 1 3 . 1 1 66 66 GLU H H 66 7.568 7.568 7.920 -0.352 19285 1159 1 3 . 1 1 67 67 ASN N N 67 116.153 116.153 115.335 0.818 19285 1160 1 3 . 1 1 67 67 ASN HA H 67 4.776 4.776 4.816 -0.040 19285 1161 1 3 . 1 1 67 67 ASN C C 67 175.231 175.231 174.545 0.686 19285 1162 1 3 . 1 1 67 67 ASN CA C 67 53.440 53.440 53.264 0.176 19285 1163 1 3 . 1 1 67 67 ASN CB C 67 39.284 39.284 39.722 -0.438 19285 1164 1 3 . 1 1 67 67 ASN H H 67 7.819 7.819 7.829 -0.010 19285 1165 1 3 . 1 1 68 68 VAL N N 68 119.217 119.217 121.167 -1.950 19285 1166 1 3 . 1 1 68 68 VAL HA H 68 4.147 4.147 4.136 0.011 19285 1167 1 3 . 1 1 68 68 VAL C C 68 175.101 175.101 174.787 0.314 19285 1168 1 3 . 1 1 68 68 VAL CA C 68 62.576 62.576 61.693 0.883 19285 1169 1 3 . 1 1 68 68 VAL CB C 68 32.250 32.250 32.612 -0.362 19285 1170 1 3 . 1 1 68 68 VAL H H 68 7.641 7.641 7.442 0.199 19285 1171 1 4 . 1 1 2 2 GLU N N 2 122.304 122.304 127.458 -5.154 19285 1172 1 4 . 1 1 2 2 GLU HA H 2 4.059 4.059 4.043 0.016 19285 1173 1 4 . 1 1 2 2 GLU C C 2 178.560 178.560 177.994 0.566 19285 1174 1 4 . 1 1 2 2 GLU CA C 2 59.898 59.898 58.883 1.015 19285 1175 1 4 . 1 1 2 2 GLU CB C 2 29.215 29.215 29.752 -0.537 19285 1176 1 4 . 1 1 2 2 GLU H H 2 8.881 8.881 9.073 -0.192 19285 1177 1 4 . 1 1 3 3 GLU N N 3 120.033 120.033 119.668 0.365 19285 1178 1 4 . 1 1 3 3 GLU HA H 3 4.155 4.155 4.163 -0.008 19285 1179 1 4 . 1 1 3 3 GLU C C 3 179.048 179.048 179.091 -0.043 19285 1180 1 4 . 1 1 3 3 GLU CA C 3 59.270 59.270 59.187 0.083 19285 1181 1 4 . 1 1 3 3 GLU CB C 3 29.343 29.343 29.551 -0.208 19285 1182 1 4 . 1 1 3 3 GLU H H 3 8.528 8.528 8.166 0.362 19285 1183 1 4 . 1 1 4 4 GLU N N 4 120.958 120.958 120.139 0.819 19285 1184 1 4 . 1 1 4 4 GLU HA H 4 4.176 4.176 4.165 0.011 19285 1185 1 4 . 1 1 4 4 GLU C C 4 179.840 179.840 179.030 0.810 19285 1186 1 4 . 1 1 4 4 GLU CA C 4 58.953 58.953 58.895 0.058 19285 1187 1 4 . 1 1 4 4 GLU CB C 4 29.586 29.586 29.770 -0.184 19285 1188 1 4 . 1 1 4 4 GLU H H 4 8.101 8.101 7.902 0.199 19285 1189 1 4 . 1 1 5 5 LEU N N 5 120.900 120.900 120.044 0.856 19285 1190 1 4 . 1 1 5 5 LEU HA H 5 4.395 4.395 4.381 0.014 19285 1191 1 4 . 1 1 5 5 LEU C C 5 179.432 179.432 179.008 0.424 19285 1192 1 4 . 1 1 5 5 LEU CA C 5 57.940 57.940 56.990 0.950 19285 1193 1 4 . 1 1 5 5 LEU CB C 5 41.647 41.647 41.333 0.314 19285 1194 1 4 . 1 1 5 5 LEU H H 5 8.570 8.570 8.263 0.307 19285 1195 1 4 . 1 1 6 6 SER N N 6 116.354 116.354 115.924 0.430 19285 1196 1 4 . 1 1 6 6 SER HA H 6 4.261 4.261 4.019 0.242 19285 1197 1 4 . 1 1 6 6 SER C C 6 176.745 176.745 176.605 0.140 19285 1198 1 4 . 1 1 6 6 SER CA C 6 61.992 61.992 61.979 0.013 19285 1199 1 4 . 1 1 6 6 SER CB C 6 62.341 62.341 62.819 -0.478 19285 1200 1 4 . 1 1 6 6 SER H H 6 8.604 8.604 8.456 0.148 19285 1201 1 4 . 1 1 7 7 GLU N N 7 122.072 122.072 121.951 0.121 19285 1202 1 4 . 1 1 7 7 GLU HA H 7 4.190 4.190 4.000 0.190 19285 1203 1 4 . 1 1 7 7 GLU C C 7 178.189 178.189 178.924 -0.735 19285 1204 1 4 . 1 1 7 7 GLU CA C 7 58.831 58.831 59.266 -0.435 19285 1205 1 4 . 1 1 7 7 GLU CB C 7 28.965 28.965 29.550 -0.586 19285 1206 1 4 . 1 1 7 7 GLU H H 7 7.720 7.720 7.612 0.108 19285 1207 1 4 . 1 1 8 8 CYS N N 8 117.904 117.904 118.048 -0.144 19285 1208 1 4 . 1 1 8 8 CYS HA H 8 4.053 4.053 3.546 0.507 19285 1209 1 4 . 1 1 8 8 CYS C C 8 175.681 175.681 176.582 -0.901 19285 1210 1 4 . 1 1 8 8 CYS CA C 8 62.437 62.437 63.521 -1.084 19285 1211 1 4 . 1 1 8 8 CYS CB C 8 26.416 26.416 26.528 -0.112 19285 1212 1 4 . 1 1 8 8 CYS H H 8 8.019 8.019 8.205 -0.186 19285 1213 1 4 . 1 1 9 9 PHE N N 9 119.590 119.590 121.642 -2.052 19285 1214 1 4 . 1 1 9 9 PHE HA H 9 3.351 3.351 3.013 0.338 19285 1215 1 4 . 1 1 9 9 PHE C C 9 175.681 175.681 176.712 -1.031 19285 1216 1 4 . 1 1 9 9 PHE CA C 9 62.181 62.181 61.236 0.945 19285 1217 1 4 . 1 1 9 9 PHE CB C 9 39.277 39.277 38.090 1.187 19285 1218 1 4 . 1 1 9 9 PHE H H 9 8.427 8.427 8.274 0.153 19285 1219 1 4 . 1 1 10 10 ARG N N 10 114.910 114.910 117.000 -2.090 19285 1220 1 4 . 1 1 10 10 ARG HA H 10 3.953 3.953 3.681 0.272 19285 1221 1 4 . 1 1 10 10 ARG C C 10 178.486 178.486 178.030 0.456 19285 1222 1 4 . 1 1 10 10 ARG CA C 10 58.967 58.967 59.001 -0.034 19285 1223 1 4 . 1 1 10 10 ARG CB C 10 29.948 29.948 30.212 -0.264 19285 1224 1 4 . 1 1 10 10 ARG H H 10 7.558 7.558 7.461 0.097 19285 1225 1 4 . 1 1 11 11 ILE N N 11 118.349 118.349 118.382 -0.033 19285 1226 1 4 . 1 1 11 11 ILE HA H 11 3.582 3.582 3.747 -0.165 19285 1227 1 4 . 1 1 11 11 ILE C C 11 178.112 178.112 177.371 0.741 19285 1228 1 4 . 1 1 11 11 ILE CA C 11 63.622 63.622 64.255 -0.633 19285 1229 1 4 . 1 1 11 11 ILE CB C 11 37.340 37.340 38.397 -1.057 19285 1230 1 4 . 1 1 11 11 ILE H H 11 7.592 7.592 7.634 -0.042 19285 1231 1 4 . 1 1 12 12 PHE N N 12 116.960 116.960 115.422 1.538 19285 1232 1 4 . 1 1 12 12 PHE HA H 12 4.477 4.477 4.322 0.155 19285 1233 1 4 . 1 1 12 12 PHE C C 12 176.714 176.714 176.484 0.230 19285 1234 1 4 . 1 1 12 12 PHE CA C 12 58.669 58.669 56.149 2.520 19285 1235 1 4 . 1 1 12 12 PHE CB C 12 39.165 39.165 38.625 0.540 19285 1236 1 4 . 1 1 12 12 PHE H H 12 7.554 7.554 7.821 -0.267 19285 1237 1 4 . 1 1 13 13 ASP N N 13 119.667 119.667 120.268 -0.601 19285 1238 1 4 . 1 1 13 13 ASP HA H 13 4.474 4.474 4.512 -0.038 19285 1239 1 4 . 1 1 13 13 ASP C C 13 176.772 176.772 176.335 0.437 19285 1240 1 4 . 1 1 13 13 ASP CA C 13 52.106 52.106 53.063 -0.957 19285 1241 1 4 . 1 1 13 13 ASP CB C 13 37.794 37.794 39.171 -1.377 19285 1242 1 4 . 1 1 13 13 ASP H H 13 7.725 7.725 7.612 0.113 19285 1243 1 4 . 1 1 14 14 LYS N N 14 125.111 125.111 124.409 0.702 19285 1244 1 4 . 1 1 14 14 LYS HA H 14 3.933 3.933 3.961 -0.028 19285 1245 1 4 . 1 1 14 14 LYS C C 14 178.180 178.180 177.860 0.320 19285 1246 1 4 . 1 1 14 14 LYS CA C 14 59.277 59.277 58.472 0.805 19285 1247 1 4 . 1 1 14 14 LYS CB C 14 32.988 32.988 32.520 0.468 19285 1248 1 4 . 1 1 14 14 LYS H H 14 7.577 7.577 8.089 -0.512 19285 1249 1 4 . 1 1 15 15 ASP N N 15 114.010 114.010 117.397 -3.387 19285 1250 1 4 . 1 1 15 15 ASP HA H 15 4.588 4.588 4.445 0.143 19285 1251 1 4 . 1 1 15 15 ASP C C 15 177.680 177.680 177.127 0.553 19285 1252 1 4 . 1 1 15 15 ASP CA C 15 52.565 52.565 55.493 -2.929 19285 1253 1 4 . 1 1 15 15 ASP CB C 15 39.322 39.322 41.149 -1.827 19285 1254 1 4 . 1 1 15 15 ASP H H 15 8.032 8.032 8.474 -0.442 19285 1255 1 4 . 1 1 16 16 GLY N N 16 109.187 109.187 106.262 2.925 19285 1256 1 4 . 1 1 16 16 GLY C C 16 175.043 175.043 174.779 0.264 19285 1257 1 4 . 1 1 16 16 GLY CA C 16 47.001 47.001 45.263 1.738 19285 1258 1 4 . 1 1 16 16 GLY H H 16 7.713 7.713 8.227 -0.514 19285 1259 1 4 . 1 1 17 17 ASN N N 17 118.569 118.569 118.599 -0.030 19285 1260 1 4 . 1 1 17 17 ASN HA H 17 4.600 4.600 4.598 0.002 19285 1261 1 4 . 1 1 17 17 ASN C C 17 176.026 176.026 175.863 0.163 19285 1262 1 4 . 1 1 17 17 ASN CA C 17 52.265 52.265 52.488 -0.223 19285 1263 1 4 . 1 1 17 17 ASN CB C 17 37.340 37.340 38.600 -1.260 19285 1264 1 4 . 1 1 17 17 ASN H H 17 8.118 8.118 7.935 0.183 19285 1265 1 4 . 1 1 18 18 GLY N N 18 112.477 112.477 108.480 3.997 19285 1266 1 4 . 1 1 18 18 GLY C C 18 172.479 172.479 173.217 -0.738 19285 1267 1 4 . 1 1 18 18 GLY CA C 18 45.110 45.110 45.337 -0.227 19285 1268 1 4 . 1 1 18 18 GLY H H 18 10.596 10.596 8.620 1.976 19285 1269 1 4 . 1 1 19 19 PHE N N 19 113.792 113.792 112.628 1.164 19285 1270 1 4 . 1 1 19 19 PHE HA H 19 5.291 5.291 5.164 0.127 19285 1271 1 4 . 1 1 19 19 PHE C C 19 173.646 173.646 172.977 0.669 19285 1272 1 4 . 1 1 19 19 PHE CA C 19 55.516 55.516 56.158 -0.642 19285 1273 1 4 . 1 1 19 19 PHE CB C 19 43.196 43.196 40.666 2.530 19285 1274 1 4 . 1 1 19 19 PHE H H 19 7.500 7.500 7.061 0.439 19285 1275 1 4 . 1 1 20 20 ILE N N 20 126.629 126.629 122.463 4.166 19285 1276 1 4 . 1 1 20 20 ILE HA H 20 5.051 5.051 5.067 -0.016 19285 1277 1 4 . 1 1 20 20 ILE C C 20 175.764 175.764 176.052 -0.288 19285 1278 1 4 . 1 1 20 20 ILE CA C 20 58.933 58.933 59.358 -0.425 19285 1279 1 4 . 1 1 20 20 ILE CB C 20 37.846 37.846 38.707 -0.861 19285 1280 1 4 . 1 1 20 20 ILE H H 20 9.988 9.988 9.037 0.951 19285 1281 1 4 . 1 1 21 21 ASP N N 21 129.797 129.797 127.695 2.102 19285 1282 1 4 . 1 1 21 21 ASP HA H 21 5.124 5.124 5.430 -0.306 19285 1283 1 4 . 1 1 21 21 ASP C C 21 175.686 175.686 177.120 -1.434 19285 1284 1 4 . 1 1 21 21 ASP CA C 21 52.214 52.214 52.344 -0.130 19285 1285 1 4 . 1 1 21 21 ASP CB C 21 41.907 41.907 42.584 -0.677 19285 1286 1 4 . 1 1 21 21 ASP H H 21 9.322 9.322 9.352 -0.030 19285 1287 1 4 . 1 1 22 22 ARG N N 22 118.041 118.041 121.073 -3.032 19285 1288 1 4 . 1 1 22 22 ARG HA H 22 3.359 3.359 3.548 -0.189 19285 1289 1 4 . 1 1 22 22 ARG C C 22 178.803 178.803 178.054 0.749 19285 1290 1 4 . 1 1 22 22 ARG CA C 22 58.193 58.193 60.340 -2.147 19285 1291 1 4 . 1 1 22 22 ARG CB C 22 28.264 28.264 29.948 -1.685 19285 1292 1 4 . 1 1 22 22 ARG H H 22 8.564 8.564 8.923 -0.359 19285 1293 1 4 . 1 1 23 23 GLU N N 23 122.771 122.771 118.381 4.390 19285 1294 1 4 . 1 1 23 23 GLU HA H 23 4.108 4.108 4.028 0.080 19285 1295 1 4 . 1 1 23 23 GLU C C 23 180.100 180.100 178.758 1.342 19285 1296 1 4 . 1 1 23 23 GLU CA C 23 59.392 59.392 59.252 0.140 19285 1297 1 4 . 1 1 23 23 GLU CB C 23 28.950 28.950 29.020 -0.070 19285 1298 1 4 . 1 1 23 23 GLU H H 23 8.309 8.309 8.476 -0.167 19285 1299 1 4 . 1 1 24 24 GLU N N 24 122.272 122.272 119.013 3.259 19285 1300 1 4 . 1 1 24 24 GLU HA H 24 4.179 4.179 4.172 0.007 19285 1301 1 4 . 1 1 24 24 GLU C C 24 179.466 179.466 178.714 0.752 19285 1302 1 4 . 1 1 24 24 GLU CA C 24 58.237 58.237 58.707 -0.470 19285 1303 1 4 . 1 1 24 24 GLU CB C 24 30.455 30.455 30.015 0.440 19285 1304 1 4 . 1 1 24 24 GLU H H 24 9.062 9.062 8.844 0.218 19285 1305 1 4 . 1 1 25 25 PHE N N 25 118.985 118.985 121.733 -2.748 19285 1306 1 4 . 1 1 25 25 PHE HA H 25 4.050 4.050 4.386 -0.336 19285 1307 1 4 . 1 1 25 25 PHE C C 25 176.876 176.876 177.240 -0.364 19285 1308 1 4 . 1 1 25 25 PHE CA C 25 60.766 60.766 60.011 0.755 19285 1309 1 4 . 1 1 25 25 PHE CB C 25 40.514 40.514 39.092 1.422 19285 1310 1 4 . 1 1 25 25 PHE H H 25 8.931 8.931 8.417 0.514 19285 1311 1 4 . 1 1 26 26 GLY N N 26 103.509 103.509 105.657 -2.148 19285 1312 1 4 . 1 1 26 26 GLY C C 26 175.475 175.475 175.254 0.221 19285 1313 1 4 . 1 1 26 26 GLY CA C 26 47.163 47.163 46.964 0.199 19285 1314 1 4 . 1 1 26 26 GLY H H 26 7.891 7.891 8.448 -0.557 19285 1315 1 4 . 1 1 27 27 ASP N N 27 119.470 119.470 121.689 -2.219 19285 1316 1 4 . 1 1 27 27 ASP HA H 27 4.545 4.545 4.588 -0.043 19285 1317 1 4 . 1 1 27 27 ASP C C 27 177.555 177.555 178.205 -0.650 19285 1318 1 4 . 1 1 27 27 ASP CA C 27 56.657 56.657 56.161 0.496 19285 1319 1 4 . 1 1 27 27 ASP CB C 27 40.521 40.521 41.238 -0.717 19285 1320 1 4 . 1 1 27 27 ASP H H 27 7.492 7.492 7.623 -0.131 19285 1321 1 4 . 1 1 28 28 ILE N N 28 119.005 119.005 120.957 -1.952 19285 1322 1 4 . 1 1 28 28 ILE HA H 28 3.222 3.222 3.158 0.064 19285 1323 1 4 . 1 1 28 28 ILE C C 28 178.112 178.112 177.762 0.350 19285 1324 1 4 . 1 1 28 28 ILE CA C 28 63.693 63.693 65.002 -1.309 19285 1325 1 4 . 1 1 28 28 ILE CB C 28 36.967 36.967 37.870 -0.902 19285 1326 1 4 . 1 1 28 28 ILE H H 28 7.290 7.290 7.760 -0.470 19285 1327 1 4 . 1 1 29 29 ILE N N 29 118.036 118.036 115.366 2.670 19285 1328 1 4 . 1 1 29 29 ILE HA H 29 3.792 3.792 3.795 -0.003 19285 1329 1 4 . 1 1 29 29 ILE C C 29 178.396 178.396 176.979 1.417 19285 1330 1 4 . 1 1 29 29 ILE CA C 29 61.114 61.114 64.080 -2.966 19285 1331 1 4 . 1 1 29 29 ILE CB C 29 36.103 36.103 37.180 -1.077 19285 1332 1 4 . 1 1 29 29 ILE H H 29 7.217 7.217 7.687 -0.470 19285 1333 1 4 . 1 1 30 30 ARG N N 30 120.280 120.280 119.074 1.206 19285 1334 1 4 . 1 1 30 30 ARG HA H 30 4.165 4.165 4.260 -0.095 19285 1335 1 4 . 1 1 30 30 ARG C C 30 178.243 178.243 178.504 -0.261 19285 1336 1 4 . 1 1 30 30 ARG CA C 30 58.528 58.528 57.923 0.605 19285 1337 1 4 . 1 1 30 30 ARG CB C 30 29.873 29.873 30.709 -0.836 19285 1338 1 4 . 1 1 30 30 ARG H H 30 7.748 7.748 7.474 0.274 19285 1339 1 4 . 1 1 31 31 LEU N N 31 119.077 119.077 119.871 -0.794 19285 1340 1 4 . 1 1 31 31 LEU HA H 31 4.211 4.211 4.108 0.103 19285 1341 1 4 . 1 1 31 31 LEU C C 31 178.573 178.573 178.609 -0.036 19285 1342 1 4 . 1 1 31 31 LEU CA C 31 56.866 56.866 57.245 -0.379 19285 1343 1 4 . 1 1 31 31 LEU CB C 31 41.900 41.900 41.990 -0.090 19285 1344 1 4 . 1 1 31 31 LEU H H 31 7.614 7.614 8.167 -0.553 19285 1345 1 4 . 1 1 32 32 THR N N 32 108.038 108.038 108.733 -0.695 19285 1346 1 4 . 1 1 32 32 THR HA H 32 4.346 4.346 4.425 -0.079 19285 1347 1 4 . 1 1 32 32 THR C C 32 175.796 175.796 175.570 0.226 19285 1348 1 4 . 1 1 32 32 THR CA C 32 62.532 62.532 62.382 0.150 19285 1349 1 4 . 1 1 32 32 THR CB C 32 70.251 70.251 70.091 0.160 19285 1350 1 4 . 1 1 32 32 THR H H 32 7.652 7.652 7.863 -0.211 19285 1351 1 4 . 1 1 33 33 GLY N N 33 109.261 109.261 110.714 -1.453 19285 1352 1 4 . 1 1 33 33 GLY C C 33 174.020 174.020 174.408 -0.388 19285 1353 1 4 . 1 1 33 33 GLY CA C 33 45.617 45.617 45.340 0.277 19285 1354 1 4 . 1 1 33 33 GLY H H 33 7.812 7.812 7.598 0.214 19285 1355 1 4 . 1 1 34 34 GLU N N 34 120.265 120.265 119.937 0.328 19285 1356 1 4 . 1 1 34 34 GLU HA H 34 4.264 4.264 4.546 -0.282 19285 1357 1 4 . 1 1 34 34 GLU C C 34 176.124 176.124 176.535 -0.411 19285 1358 1 4 . 1 1 34 34 GLU CA C 34 56.198 56.198 54.644 1.554 19285 1359 1 4 . 1 1 34 34 GLU CB C 34 30.221 30.221 31.032 -0.811 19285 1360 1 4 . 1 1 34 34 GLU H H 34 7.857 7.857 8.056 -0.199 19285 1361 1 4 . 1 1 35 35 GLN N N 35 122.159 122.159 123.082 -0.923 19285 1362 1 4 . 1 1 35 35 GLN HA H 35 4.319 4.319 4.379 -0.060 19285 1363 1 4 . 1 1 35 35 GLN C C 35 174.957 174.957 175.338 -0.381 19285 1364 1 4 . 1 1 35 35 GLN CA C 35 55.489 55.489 55.072 0.417 19285 1365 1 4 . 1 1 35 35 GLN CB C 35 27.772 27.772 27.017 0.755 19285 1366 1 4 . 1 1 35 35 GLN H H 35 8.683 8.683 8.590 0.093 19285 1367 1 4 . 1 1 36 36 LEU N N 36 124.703 124.703 124.354 0.349 19285 1368 1 4 . 1 1 36 36 LEU HA H 36 4.764 4.764 4.747 0.017 19285 1369 1 4 . 1 1 36 36 LEU C C 36 177.647 177.647 177.353 0.294 19285 1370 1 4 . 1 1 36 36 LEU CA C 36 53.868 53.868 53.706 0.162 19285 1371 1 4 . 1 1 36 36 LEU CB C 36 44.448 44.448 43.841 0.607 19285 1372 1 4 . 1 1 36 36 LEU H H 36 7.790 7.790 7.794 -0.004 19285 1373 1 4 . 1 1 37 37 THR N N 37 114.475 114.475 113.690 0.785 19285 1374 1 4 . 1 1 37 37 THR HA H 37 4.485 4.485 4.504 -0.019 19285 1375 1 4 . 1 1 37 37 THR C C 37 175.339 175.339 175.157 0.182 19285 1376 1 4 . 1 1 37 37 THR CA C 37 60.591 60.591 60.457 0.134 19285 1377 1 4 . 1 1 37 37 THR CB C 37 71.227 71.227 70.965 0.262 19285 1378 1 4 . 1 1 37 37 THR H H 37 9.146 9.146 9.076 0.070 19285 1379 1 4 . 1 1 38 38 ASP N N 38 120.839 120.839 120.412 0.427 19285 1380 1 4 . 1 1 38 38 ASP HA H 38 4.255 4.255 4.338 -0.083 19285 1381 1 4 . 1 1 38 38 ASP C C 38 177.870 177.870 178.501 -0.631 19285 1382 1 4 . 1 1 38 38 ASP CA C 38 57.889 57.889 57.426 0.463 19285 1383 1 4 . 1 1 38 38 ASP CB C 38 39.895 39.895 40.359 -0.464 19285 1384 1 4 . 1 1 38 38 ASP H H 38 8.857 8.857 8.808 0.049 19285 1385 1 4 . 1 1 39 39 GLU N N 39 118.596 118.596 119.378 -0.782 19285 1386 1 4 . 1 1 39 39 GLU HA H 39 4.120 4.120 4.102 0.018 19285 1387 1 4 . 1 1 39 39 GLU C C 39 179.052 179.052 178.408 0.644 19285 1388 1 4 . 1 1 39 39 GLU CA C 39 59.662 59.662 59.131 0.531 19285 1389 1 4 . 1 1 39 39 GLU CB C 39 28.823 28.823 29.609 -0.786 19285 1390 1 4 . 1 1 39 39 GLU H H 39 8.389 8.389 8.136 0.253 19285 1391 1 4 . 1 1 40 40 ASP N N 40 121.412 121.412 120.810 0.602 19285 1392 1 4 . 1 1 40 40 ASP HA H 40 4.460 4.460 4.484 -0.024 19285 1393 1 4 . 1 1 40 40 ASP C C 40 179.307 179.307 178.986 0.321 19285 1394 1 4 . 1 1 40 40 ASP CA C 40 57.164 57.164 57.312 -0.148 19285 1395 1 4 . 1 1 40 40 ASP CB C 40 41.229 41.229 40.507 0.722 19285 1396 1 4 . 1 1 40 40 ASP H H 40 7.768 7.768 7.874 -0.106 19285 1397 1 4 . 1 1 41 41 VAL N N 41 121.053 121.053 120.571 0.482 19285 1398 1 4 . 1 1 41 41 VAL HA H 41 3.605 3.605 3.810 -0.205 19285 1399 1 4 . 1 1 41 41 VAL C C 41 177.685 177.685 178.115 -0.430 19285 1400 1 4 . 1 1 41 41 VAL CA C 41 67.286 67.286 66.934 0.352 19285 1401 1 4 . 1 1 41 41 VAL CB C 41 31.498 31.498 31.812 -0.314 19285 1402 1 4 . 1 1 41 41 VAL H H 41 8.215 8.215 8.361 -0.146 19285 1403 1 4 . 1 1 42 42 ASP N N 42 120.507 120.507 119.435 1.072 19285 1404 1 4 . 1 1 42 42 ASP HA H 42 4.213 4.213 4.539 -0.326 19285 1405 1 4 . 1 1 42 42 ASP C C 42 179.444 179.444 178.882 0.562 19285 1406 1 4 . 1 1 42 42 ASP CA C 42 57.744 57.744 57.540 0.204 19285 1407 1 4 . 1 1 42 42 ASP CB C 42 40.082 40.082 40.340 -0.258 19285 1408 1 4 . 1 1 42 42 ASP H H 42 8.527 8.527 7.862 0.665 19285 1409 1 4 . 1 1 43 43 GLU N N 43 121.091 121.091 121.333 -0.242 19285 1410 1 4 . 1 1 43 43 GLU HA H 43 4.119 4.119 4.111 0.008 19285 1411 1 4 . 1 1 43 43 GLU C C 43 178.328 178.328 178.984 -0.656 19285 1412 1 4 . 1 1 43 43 GLU CA C 43 59.264 59.264 59.537 -0.273 19285 1413 1 4 . 1 1 43 43 GLU CB C 43 29.277 29.277 29.796 -0.519 19285 1414 1 4 . 1 1 43 43 GLU H H 43 7.758 7.758 8.229 -0.471 19285 1415 1 4 . 1 1 44 44 ILE N N 44 120.248 120.248 120.121 0.127 19285 1416 1 4 . 1 1 44 44 ILE HA H 44 3.957 3.957 3.752 0.205 19285 1417 1 4 . 1 1 44 44 ILE C C 44 179.412 179.412 178.007 1.405 19285 1418 1 4 . 1 1 44 44 ILE CA C 44 64.747 64.747 65.386 -0.639 19285 1419 1 4 . 1 1 44 44 ILE CB C 44 38.919 38.919 38.175 0.744 19285 1420 1 4 . 1 1 44 44 ILE H H 44 7.934 7.934 8.390 -0.456 19285 1421 1 4 . 1 1 45 45 PHE N N 45 124.028 124.028 120.475 3.553 19285 1422 1 4 . 1 1 45 45 PHE HA H 45 3.126 3.126 3.807 -0.681 19285 1423 1 4 . 1 1 45 45 PHE C C 45 176.732 176.732 177.557 -0.825 19285 1424 1 4 . 1 1 45 45 PHE CA C 45 62.039 62.039 62.002 0.038 19285 1425 1 4 . 1 1 45 45 PHE CB C 45 38.562 38.562 38.887 -0.325 19285 1426 1 4 . 1 1 45 45 PHE H H 45 9.019 9.019 8.741 0.278 19285 1427 1 4 . 1 1 46 46 GLY N N 46 104.229 104.229 106.228 -1.999 19285 1428 1 4 . 1 1 46 46 GLY C C 46 176.365 176.365 176.052 0.313 19285 1429 1 4 . 1 1 46 46 GLY CA C 46 47.055 47.055 47.183 -0.128 19285 1430 1 4 . 1 1 46 46 GLY H H 46 8.219 8.219 8.492 -0.273 19285 1431 1 4 . 1 1 47 47 ASP N N 47 119.686 119.686 122.890 -3.204 19285 1432 1 4 . 1 1 47 47 ASP HA H 47 4.343 4.343 4.439 -0.096 19285 1433 1 4 . 1 1 47 47 ASP C C 47 178.101 178.101 178.858 -0.757 19285 1434 1 4 . 1 1 47 47 ASP CA C 47 56.235 56.235 56.911 -0.676 19285 1435 1 4 . 1 1 47 47 ASP CB C 47 40.558 40.558 40.264 0.294 19285 1436 1 4 . 1 1 47 47 ASP H H 47 8.106 8.106 8.246 -0.140 19285 1437 1 4 . 1 1 48 48 SER N N 48 113.923 113.923 114.966 -1.043 19285 1438 1 4 . 1 1 48 48 SER HA H 48 4.281 4.281 4.187 0.094 19285 1439 1 4 . 1 1 48 48 SER C C 48 173.432 173.432 174.676 -1.244 19285 1440 1 4 . 1 1 48 48 SER CA C 48 59.878 59.878 61.225 -1.347 19285 1441 1 4 . 1 1 48 48 SER CB C 48 63.709 63.709 63.263 0.446 19285 1442 1 4 . 1 1 48 48 SER H H 48 7.567 7.567 8.317 -0.750 19285 1443 1 4 . 1 1 49 49 ASP N N 49 121.595 121.595 121.389 0.206 19285 1444 1 4 . 1 1 49 49 ASP HA H 49 4.424 4.424 4.650 -0.226 19285 1445 1 4 . 1 1 49 49 ASP C C 49 177.055 177.055 177.483 -0.428 19285 1446 1 4 . 1 1 49 49 ASP CA C 49 51.836 51.836 52.995 -1.159 19285 1447 1 4 . 1 1 49 49 ASP CB C 49 38.427 38.427 39.247 -0.820 19285 1448 1 4 . 1 1 49 49 ASP H H 49 7.323 7.323 7.662 -0.339 19285 1449 1 4 . 1 1 50 50 THR N N 50 119.204 119.204 116.478 2.726 19285 1450 1 4 . 1 1 50 50 THR HA H 50 3.863 3.863 4.165 -0.302 19285 1451 1 4 . 1 1 50 50 THR C C 50 176.041 176.041 175.790 0.251 19285 1452 1 4 . 1 1 50 50 THR CA C 50 65.351 65.351 64.259 1.092 19285 1453 1 4 . 1 1 50 50 THR CB C 50 68.597 68.597 69.083 -0.486 19285 1454 1 4 . 1 1 50 50 THR H H 50 7.841 7.841 8.313 -0.472 19285 1455 1 4 . 1 1 51 51 ASP N N 51 117.233 117.233 120.484 -3.251 19285 1456 1 4 . 1 1 51 51 ASP HA H 51 4.607 4.607 4.658 -0.051 19285 1457 1 4 . 1 1 51 51 ASP C C 51 175.994 175.994 175.210 0.784 19285 1458 1 4 . 1 1 51 51 ASP CA C 51 52.795 52.795 54.682 -1.887 19285 1459 1 4 . 1 1 51 51 ASP CB C 51 39.098 39.098 40.818 -1.720 19285 1460 1 4 . 1 1 51 51 ASP H H 51 7.972 7.972 8.318 -0.346 19285 1461 1 4 . 1 1 52 52 LYS N N 52 113.938 113.938 115.380 -1.442 19285 1462 1 4 . 1 1 52 52 LYS HA H 52 3.961 3.961 4.124 -0.163 19285 1463 1 4 . 1 1 52 52 LYS C C 52 176.126 176.126 175.640 0.486 19285 1464 1 4 . 1 1 52 52 LYS CA C 52 56.238 56.238 57.019 -0.781 19285 1465 1 4 . 1 1 52 52 LYS CB C 52 28.711 28.711 29.387 -0.676 19285 1466 1 4 . 1 1 52 52 LYS H H 52 7.729 7.729 7.747 -0.018 19285 1467 1 4 . 1 1 53 53 ASN N N 53 117.127 117.127 117.131 -0.004 19285 1468 1 4 . 1 1 53 53 ASN HA H 53 4.764 4.764 4.793 -0.029 19285 1469 1 4 . 1 1 53 53 ASN C C 53 177.056 177.056 176.363 0.693 19285 1470 1 4 . 1 1 53 53 ASN CA C 53 51.626 51.626 52.959 -1.333 19285 1471 1 4 . 1 1 53 53 ASN CB C 53 37.742 37.742 39.321 -1.579 19285 1472 1 4 . 1 1 53 53 ASN H H 53 8.193 8.193 8.405 -0.212 19285 1473 1 4 . 1 1 54 54 GLY N N 54 113.327 113.327 109.262 4.065 19285 1474 1 4 . 1 1 54 54 GLY C C 54 172.983 172.983 173.467 -0.484 19285 1475 1 4 . 1 1 54 54 GLY CA C 54 45.671 45.671 45.549 0.122 19285 1476 1 4 . 1 1 54 54 GLY H H 54 10.782 10.782 9.126 1.656 19285 1477 1 4 . 1 1 55 55 ARG N N 55 115.634 115.634 118.177 -2.543 19285 1478 1 4 . 1 1 55 55 ARG HA H 55 4.826 4.826 4.936 -0.110 19285 1479 1 4 . 1 1 55 55 ARG C C 55 173.745 173.745 174.778 -1.033 19285 1480 1 4 . 1 1 55 55 ARG CA C 55 54.044 54.044 53.921 0.123 19285 1481 1 4 . 1 1 55 55 ARG CB C 55 33.457 33.457 33.320 0.137 19285 1482 1 4 . 1 1 55 55 ARG H H 55 7.501 7.501 7.451 0.050 19285 1483 1 4 . 1 1 56 56 ILE N N 56 127.446 127.446 123.339 4.107 19285 1484 1 4 . 1 1 56 56 ILE HA H 56 5.127 5.127 4.789 0.338 19285 1485 1 4 . 1 1 56 56 ILE C C 56 175.886 175.886 175.632 0.254 19285 1486 1 4 . 1 1 56 56 ILE CA C 56 58.892 58.892 58.509 0.383 19285 1487 1 4 . 1 1 56 56 ILE CB C 56 36.907 36.907 37.949 -1.042 19285 1488 1 4 . 1 1 56 56 ILE H H 56 9.592 9.592 9.132 0.460 19285 1489 1 4 . 1 1 57 57 ASP N N 57 129.499 129.499 128.313 1.186 19285 1490 1 4 . 1 1 57 57 ASP HA H 57 5.185 5.185 4.951 0.234 19285 1491 1 4 . 1 1 57 57 ASP C C 57 175.630 175.630 177.064 -1.434 19285 1492 1 4 . 1 1 57 57 ASP CA C 57 52.329 52.329 53.275 -0.946 19285 1493 1 4 . 1 1 57 57 ASP CB C 57 42.175 42.175 43.151 -0.976 19285 1494 1 4 . 1 1 57 57 ASP H H 57 9.267 9.267 8.976 0.291 19285 1495 1 4 . 1 1 58 58 PHE N N 58 118.391 118.391 121.298 -2.907 19285 1496 1 4 . 1 1 58 58 PHE HA H 58 3.761 3.761 3.640 0.121 19285 1497 1 4 . 1 1 58 58 PHE C C 58 176.306 176.306 176.478 -0.172 19285 1498 1 4 . 1 1 58 58 PHE CA C 58 61.806 61.806 59.905 1.901 19285 1499 1 4 . 1 1 58 58 PHE CB C 58 38.539 38.539 38.446 0.094 19285 1500 1 4 . 1 1 58 58 PHE H H 58 8.799 8.799 8.933 -0.134 19285 1501 1 4 . 1 1 59 59 ASP N N 59 118.077 118.077 116.352 1.725 19285 1502 1 4 . 1 1 59 59 ASP HA H 59 4.167 4.167 4.163 0.004 19285 1503 1 4 . 1 1 59 59 ASP C C 59 179.808 179.808 178.683 1.125 19285 1504 1 4 . 1 1 59 59 ASP CA C 59 57.781 57.781 57.511 0.270 19285 1505 1 4 . 1 1 59 59 ASP CB C 59 41.399 41.399 39.724 1.675 19285 1506 1 4 . 1 1 59 59 ASP H H 59 7.930 7.930 8.555 -0.625 19285 1507 1 4 . 1 1 60 60 GLU N N 60 117.047 117.047 119.434 -2.387 19285 1508 1 4 . 1 1 60 60 GLU HA H 60 3.967 3.967 4.084 -0.117 19285 1509 1 4 . 1 1 60 60 GLU C C 60 180.287 180.287 178.368 1.919 19285 1510 1 4 . 1 1 60 60 GLU CA C 60 58.326 58.326 58.733 -0.407 19285 1511 1 4 . 1 1 60 60 GLU CB C 60 29.925 29.925 29.630 0.295 19285 1512 1 4 . 1 1 60 60 GLU H H 60 7.331 7.331 8.138 -0.807 19285 1513 1 4 . 1 1 61 61 PHE N N 61 124.075 124.075 122.278 1.797 19285 1514 1 4 . 1 1 61 61 PHE HA H 61 4.155 4.155 4.284 -0.129 19285 1515 1 4 . 1 1 61 61 PHE C C 61 176.012 176.012 176.880 -0.868 19285 1516 1 4 . 1 1 61 61 PHE CA C 61 61.100 61.100 61.415 -0.315 19285 1517 1 4 . 1 1 61 61 PHE CB C 61 39.493 39.493 39.420 0.073 19285 1518 1 4 . 1 1 61 61 PHE H H 61 9.079 9.079 8.564 0.515 19285 1519 1 4 . 1 1 62 62 LEU N N 62 119.964 119.964 118.655 1.309 19285 1520 1 4 . 1 1 62 62 LEU HA H 62 3.501 3.501 3.867 -0.366 19285 1521 1 4 . 1 1 62 62 LEU C C 62 179.855 179.855 178.582 1.273 19285 1522 1 4 . 1 1 62 62 LEU CA C 62 58.109 58.109 58.050 0.059 19285 1523 1 4 . 1 1 62 62 LEU CB C 62 40.495 40.495 40.911 -0.416 19285 1524 1 4 . 1 1 62 62 LEU H H 62 8.416 8.416 8.184 0.232 19285 1525 1 4 . 1 1 63 63 LYS N N 63 121.221 121.221 119.267 1.954 19285 1526 1 4 . 1 1 63 63 LYS HA H 63 4.060 4.060 4.228 -0.168 19285 1527 1 4 . 1 1 63 63 LYS C C 63 178.875 178.875 178.740 0.135 19285 1528 1 4 . 1 1 63 63 LYS CA C 63 58.288 58.288 58.640 -0.352 19285 1529 1 4 . 1 1 63 63 LYS CB C 63 31.683 31.683 32.430 -0.747 19285 1530 1 4 . 1 1 63 63 LYS H H 63 8.804 8.804 7.463 1.341 19285 1531 1 4 . 1 1 64 64 MET N N 64 119.896 119.896 121.302 -1.406 19285 1532 1 4 . 1 1 64 64 MET HA H 64 4.108 4.108 3.972 0.136 19285 1533 1 4 . 1 1 64 64 MET C C 64 178.427 178.427 178.445 -0.018 19285 1534 1 4 . 1 1 64 64 MET CA C 64 58.374 58.374 58.910 -0.535 19285 1535 1 4 . 1 1 64 64 MET CB C 64 32.200 32.200 32.611 -0.411 19285 1536 1 4 . 1 1 64 64 MET H H 64 7.895 7.895 7.816 0.079 19285 1537 1 4 . 1 1 65 65 MET N N 65 116.299 116.299 115.139 1.160 19285 1538 1 4 . 1 1 65 65 MET HA H 65 4.337 4.337 4.553 -0.216 19285 1539 1 4 . 1 1 65 65 MET C C 65 178.184 178.184 178.481 -0.297 19285 1540 1 4 . 1 1 65 65 MET CA C 65 55.118 55.118 55.570 -0.452 19285 1541 1 4 . 1 1 65 65 MET CB C 65 30.790 30.790 30.802 -0.012 19285 1542 1 4 . 1 1 65 65 MET H H 65 7.859 7.859 8.004 -0.145 19285 1543 1 4 . 1 1 66 66 GLU N N 66 119.624 119.624 120.629 -1.005 19285 1544 1 4 . 1 1 66 66 GLU HA H 66 4.091 4.091 4.022 0.069 19285 1545 1 4 . 1 1 66 66 GLU C C 66 177.017 177.017 178.511 -1.494 19285 1546 1 4 . 1 1 66 66 GLU CA C 66 58.092 58.092 59.036 -0.944 19285 1547 1 4 . 1 1 66 66 GLU CB C 66 29.619 29.619 29.585 0.033 19285 1548 1 4 . 1 1 66 66 GLU H H 66 7.568 7.568 7.639 -0.071 19285 1549 1 4 . 1 1 67 67 ASN N N 67 116.153 116.153 115.380 0.773 19285 1550 1 4 . 1 1 67 67 ASN HA H 67 4.776 4.776 4.744 0.032 19285 1551 1 4 . 1 1 67 67 ASN C C 67 175.231 175.231 176.130 -0.899 19285 1552 1 4 . 1 1 67 67 ASN CA C 67 53.440 53.440 54.473 -1.033 19285 1553 1 4 . 1 1 67 67 ASN CB C 67 39.284 39.284 39.883 -0.599 19285 1554 1 4 . 1 1 67 67 ASN H H 67 7.819 7.819 7.926 -0.107 19285 1555 1 4 . 1 1 68 68 VAL N N 68 119.217 119.217 120.441 -1.224 19285 1556 1 4 . 1 1 68 68 VAL HA H 68 4.147 4.147 4.304 -0.157 19285 1557 1 4 . 1 1 68 68 VAL C C 68 175.101 175.101 174.544 0.557 19285 1558 1 4 . 1 1 68 68 VAL CA C 68 62.576 62.576 60.904 1.671 19285 1559 1 4 . 1 1 68 68 VAL CB C 68 32.250 32.250 31.003 1.248 19285 1560 1 4 . 1 1 68 68 VAL H H 68 7.641 7.641 8.032 -0.391 19285 1561 1 5 . 1 1 2 2 GLU N N 2 122.304 122.304 122.200 0.104 19285 1562 1 5 . 1 1 2 2 GLU HA H 2 4.059 4.059 4.033 0.026 19285 1563 1 5 . 1 1 2 2 GLU C C 2 178.560 178.560 178.376 0.184 19285 1564 1 5 . 1 1 2 2 GLU CA C 2 59.898 59.898 59.661 0.237 19285 1565 1 5 . 1 1 2 2 GLU CB C 2 29.215 29.215 29.395 -0.180 19285 1566 1 5 . 1 1 2 2 GLU H H 2 8.881 8.881 8.898 -0.017 19285 1567 1 5 . 1 1 3 3 GLU N N 3 120.033 120.033 118.083 1.950 19285 1568 1 5 . 1 1 3 3 GLU HA H 3 4.155 4.155 4.095 0.060 19285 1569 1 5 . 1 1 3 3 GLU C C 3 179.048 179.048 179.049 -0.001 19285 1570 1 5 . 1 1 3 3 GLU CA C 3 59.270 59.270 59.360 -0.090 19285 1571 1 5 . 1 1 3 3 GLU CB C 3 29.343 29.343 29.315 0.028 19285 1572 1 5 . 1 1 3 3 GLU H H 3 8.528 8.528 8.797 -0.269 19285 1573 1 5 . 1 1 4 4 GLU N N 4 120.958 120.958 119.816 1.142 19285 1574 1 5 . 1 1 4 4 GLU HA H 4 4.176 4.176 4.227 -0.051 19285 1575 1 5 . 1 1 4 4 GLU C C 4 179.840 179.840 179.163 0.677 19285 1576 1 5 . 1 1 4 4 GLU CA C 4 58.953 58.953 58.560 0.393 19285 1577 1 5 . 1 1 4 4 GLU CB C 4 29.586 29.586 29.787 -0.201 19285 1578 1 5 . 1 1 4 4 GLU H H 4 8.101 8.101 7.800 0.301 19285 1579 1 5 . 1 1 5 5 LEU N N 5 120.900 120.900 120.595 0.305 19285 1580 1 5 . 1 1 5 5 LEU HA H 5 4.395 4.395 4.378 0.017 19285 1581 1 5 . 1 1 5 5 LEU C C 5 179.432 179.432 179.165 0.267 19285 1582 1 5 . 1 1 5 5 LEU CA C 5 57.940 57.940 57.745 0.195 19285 1583 1 5 . 1 1 5 5 LEU CB C 5 41.647 41.647 41.824 -0.177 19285 1584 1 5 . 1 1 5 5 LEU H H 5 8.570 8.570 8.358 0.212 19285 1585 1 5 . 1 1 6 6 SER N N 6 116.354 116.354 116.476 -0.122 19285 1586 1 5 . 1 1 6 6 SER HA H 6 4.261 4.261 4.468 -0.207 19285 1587 1 5 . 1 1 6 6 SER C C 6 176.745 176.745 176.877 -0.132 19285 1588 1 5 . 1 1 6 6 SER CA C 6 61.992 61.992 62.337 -0.345 19285 1589 1 5 . 1 1 6 6 SER CB C 6 62.341 62.341 62.919 -0.578 19285 1590 1 5 . 1 1 6 6 SER H H 6 8.604 8.604 8.484 0.120 19285 1591 1 5 . 1 1 7 7 GLU N N 7 122.072 122.072 121.891 0.181 19285 1592 1 5 . 1 1 7 7 GLU HA H 7 4.190 4.190 4.185 0.005 19285 1593 1 5 . 1 1 7 7 GLU C C 7 178.189 178.189 178.965 -0.776 19285 1594 1 5 . 1 1 7 7 GLU CA C 7 58.831 58.831 59.233 -0.402 19285 1595 1 5 . 1 1 7 7 GLU CB C 7 28.965 28.965 29.614 -0.649 19285 1596 1 5 . 1 1 7 7 GLU H H 7 7.720 7.720 7.690 0.030 19285 1597 1 5 . 1 1 8 8 CYS N N 8 117.904 117.904 118.686 -0.782 19285 1598 1 5 . 1 1 8 8 CYS HA H 8 4.053 4.053 4.111 -0.058 19285 1599 1 5 . 1 1 8 8 CYS C C 8 175.681 175.681 176.912 -1.231 19285 1600 1 5 . 1 1 8 8 CYS CA C 8 62.437 62.437 63.830 -1.393 19285 1601 1 5 . 1 1 8 8 CYS CB C 8 26.416 26.416 26.924 -0.508 19285 1602 1 5 . 1 1 8 8 CYS H H 8 8.019 8.019 8.112 -0.093 19285 1603 1 5 . 1 1 9 9 PHE N N 9 119.590 119.590 121.055 -1.465 19285 1604 1 5 . 1 1 9 9 PHE HA H 9 3.351 3.351 3.277 0.074 19285 1605 1 5 . 1 1 9 9 PHE C C 9 175.681 175.681 176.830 -1.149 19285 1606 1 5 . 1 1 9 9 PHE CA C 9 62.181 62.181 61.918 0.263 19285 1607 1 5 . 1 1 9 9 PHE CB C 9 39.277 39.277 38.378 0.899 19285 1608 1 5 . 1 1 9 9 PHE H H 9 8.427 8.427 8.594 -0.167 19285 1609 1 5 . 1 1 10 10 ARG N N 10 114.910 114.910 117.254 -2.344 19285 1610 1 5 . 1 1 10 10 ARG HA H 10 3.953 3.953 3.997 -0.044 19285 1611 1 5 . 1 1 10 10 ARG C C 10 178.486 178.486 177.988 0.498 19285 1612 1 5 . 1 1 10 10 ARG CA C 10 58.967 58.967 59.163 -0.196 19285 1613 1 5 . 1 1 10 10 ARG CB C 10 29.948 29.948 30.227 -0.279 19285 1614 1 5 . 1 1 10 10 ARG H H 10 7.558 7.558 7.509 0.049 19285 1615 1 5 . 1 1 11 11 ILE N N 11 118.349 118.349 118.154 0.195 19285 1616 1 5 . 1 1 11 11 ILE HA H 11 3.582 3.582 3.663 -0.080 19285 1617 1 5 . 1 1 11 11 ILE C C 11 178.112 178.112 177.215 0.897 19285 1618 1 5 . 1 1 11 11 ILE CA C 11 63.622 63.622 64.024 -0.402 19285 1619 1 5 . 1 1 11 11 ILE CB C 11 37.340 37.340 37.984 -0.644 19285 1620 1 5 . 1 1 11 11 ILE H H 11 7.592 7.592 7.452 0.140 19285 1621 1 5 . 1 1 12 12 PHE N N 12 116.960 116.960 115.325 1.635 19285 1622 1 5 . 1 1 12 12 PHE HA H 12 4.477 4.477 4.281 0.196 19285 1623 1 5 . 1 1 12 12 PHE C C 12 176.714 176.714 176.424 0.290 19285 1624 1 5 . 1 1 12 12 PHE CA C 12 58.669 58.669 58.557 0.112 19285 1625 1 5 . 1 1 12 12 PHE CB C 12 39.165 39.165 39.122 0.043 19285 1626 1 5 . 1 1 12 12 PHE H H 12 7.554 7.554 7.424 0.130 19285 1627 1 5 . 1 1 13 13 ASP N N 13 119.667 119.667 119.862 -0.195 19285 1628 1 5 . 1 1 13 13 ASP HA H 13 4.474 4.474 4.444 0.030 19285 1629 1 5 . 1 1 13 13 ASP C C 13 176.772 176.772 176.041 0.731 19285 1630 1 5 . 1 1 13 13 ASP CA C 13 52.106 52.106 52.985 -0.879 19285 1631 1 5 . 1 1 13 13 ASP CB C 13 37.794 37.794 39.331 -1.537 19285 1632 1 5 . 1 1 13 13 ASP H H 13 7.725 7.725 7.843 -0.118 19285 1633 1 5 . 1 1 14 14 LYS N N 14 125.111 125.111 123.719 1.392 19285 1634 1 5 . 1 1 14 14 LYS HA H 14 3.933 3.933 3.972 -0.039 19285 1635 1 5 . 1 1 14 14 LYS C C 14 178.180 178.180 177.937 0.243 19285 1636 1 5 . 1 1 14 14 LYS CA C 14 59.277 59.277 58.637 0.640 19285 1637 1 5 . 1 1 14 14 LYS CB C 14 32.988 32.988 32.503 0.485 19285 1638 1 5 . 1 1 14 14 LYS H H 14 7.577 7.577 7.970 -0.393 19285 1639 1 5 . 1 1 15 15 ASP N N 15 114.010 114.010 117.460 -3.450 19285 1640 1 5 . 1 1 15 15 ASP HA H 15 4.588 4.588 4.494 0.094 19285 1641 1 5 . 1 1 15 15 ASP C C 15 177.680 177.680 177.245 0.435 19285 1642 1 5 . 1 1 15 15 ASP CA C 15 52.565 52.565 55.294 -2.729 19285 1643 1 5 . 1 1 15 15 ASP CB C 15 39.322 39.322 41.107 -1.785 19285 1644 1 5 . 1 1 15 15 ASP H H 15 8.032 8.032 8.157 -0.125 19285 1645 1 5 . 1 1 16 16 GLY N N 16 109.187 109.187 106.147 3.040 19285 1646 1 5 . 1 1 16 16 GLY C C 16 175.043 175.043 175.021 0.022 19285 1647 1 5 . 1 1 16 16 GLY CA C 16 47.001 47.001 45.323 1.678 19285 1648 1 5 . 1 1 16 16 GLY H H 16 7.713 7.713 8.579 -0.866 19285 1649 1 5 . 1 1 17 17 ASN N N 17 118.569 118.569 118.977 -0.408 19285 1650 1 5 . 1 1 17 17 ASN HA H 17 4.600 4.600 4.845 -0.245 19285 1651 1 5 . 1 1 17 17 ASN C C 17 176.026 176.026 176.333 -0.307 19285 1652 1 5 . 1 1 17 17 ASN CA C 17 52.265 52.265 52.856 -0.591 19285 1653 1 5 . 1 1 17 17 ASN CB C 17 37.340 37.340 39.240 -1.900 19285 1654 1 5 . 1 1 17 17 ASN H H 17 8.118 8.118 8.203 -0.085 19285 1655 1 5 . 1 1 18 18 GLY N N 18 112.477 112.477 107.666 4.811 19285 1656 1 5 . 1 1 18 18 GLY C C 18 172.479 172.479 172.978 -0.499 19285 1657 1 5 . 1 1 18 18 GLY CA C 18 45.110 45.110 45.431 -0.321 19285 1658 1 5 . 1 1 18 18 GLY H H 18 10.596 10.596 8.854 1.742 19285 1659 1 5 . 1 1 19 19 PHE N N 19 113.792 113.792 117.769 -3.977 19285 1660 1 5 . 1 1 19 19 PHE HA H 19 5.291 5.291 5.324 -0.033 19285 1661 1 5 . 1 1 19 19 PHE C C 19 173.646 173.646 174.796 -1.150 19285 1662 1 5 . 1 1 19 19 PHE CA C 19 55.516 55.516 56.550 -1.034 19285 1663 1 5 . 1 1 19 19 PHE CB C 19 43.196 43.196 42.964 0.232 19285 1664 1 5 . 1 1 19 19 PHE H H 19 7.500 7.500 7.396 0.104 19285 1665 1 5 . 1 1 20 20 ILE N N 20 126.629 126.629 123.919 2.710 19285 1666 1 5 . 1 1 20 20 ILE HA H 20 5.051 5.051 4.335 0.716 19285 1667 1 5 . 1 1 20 20 ILE C C 20 175.764 175.764 174.902 0.862 19285 1668 1 5 . 1 1 20 20 ILE CA C 20 58.933 58.933 60.445 -1.512 19285 1669 1 5 . 1 1 20 20 ILE CB C 20 37.846 37.846 39.400 -1.554 19285 1670 1 5 . 1 1 20 20 ILE H H 20 9.988 9.988 9.102 0.886 19285 1671 1 5 . 1 1 21 21 ASP N N 21 129.797 129.797 127.513 2.284 19285 1672 1 5 . 1 1 21 21 ASP HA H 21 5.124 5.124 5.024 0.100 19285 1673 1 5 . 1 1 21 21 ASP C C 21 175.686 175.686 176.941 -1.255 19285 1674 1 5 . 1 1 21 21 ASP CA C 21 52.214 52.214 52.525 -0.311 19285 1675 1 5 . 1 1 21 21 ASP CB C 21 41.907 41.907 42.053 -0.146 19285 1676 1 5 . 1 1 21 21 ASP H H 21 9.322 9.322 8.657 0.665 19285 1677 1 5 . 1 1 22 22 ARG N N 22 118.041 118.041 120.696 -2.655 19285 1678 1 5 . 1 1 22 22 ARG HA H 22 3.359 3.359 3.111 0.248 19285 1679 1 5 . 1 1 22 22 ARG C C 22 178.803 178.803 177.965 0.838 19285 1680 1 5 . 1 1 22 22 ARG CA C 22 58.193 58.193 59.883 -1.690 19285 1681 1 5 . 1 1 22 22 ARG CB C 22 28.264 28.264 29.627 -1.363 19285 1682 1 5 . 1 1 22 22 ARG H H 22 8.564 8.564 8.637 -0.073 19285 1683 1 5 . 1 1 23 23 GLU N N 23 122.771 122.771 117.523 5.248 19285 1684 1 5 . 1 1 23 23 GLU HA H 23 4.108 4.108 3.996 0.112 19285 1685 1 5 . 1 1 23 23 GLU C C 23 180.100 180.100 178.434 1.666 19285 1686 1 5 . 1 1 23 23 GLU CA C 23 59.392 59.392 59.291 0.101 19285 1687 1 5 . 1 1 23 23 GLU CB C 23 28.950 28.950 28.998 -0.049 19285 1688 1 5 . 1 1 23 23 GLU H H 23 8.309 8.309 8.440 -0.131 19285 1689 1 5 . 1 1 24 24 GLU N N 24 122.272 122.272 118.081 4.191 19285 1690 1 5 . 1 1 24 24 GLU HA H 24 4.179 4.179 4.238 -0.059 19285 1691 1 5 . 1 1 24 24 GLU C C 24 179.466 179.466 179.018 0.448 19285 1692 1 5 . 1 1 24 24 GLU CA C 24 58.237 58.237 57.682 0.555 19285 1693 1 5 . 1 1 24 24 GLU CB C 24 30.455 30.455 29.531 0.924 19285 1694 1 5 . 1 1 24 24 GLU H H 24 9.062 9.062 8.733 0.329 19285 1695 1 5 . 1 1 25 25 PHE N N 25 118.985 118.985 121.690 -2.705 19285 1696 1 5 . 1 1 25 25 PHE HA H 25 4.050 4.050 4.145 -0.095 19285 1697 1 5 . 1 1 25 25 PHE C C 25 176.876 176.876 176.956 -0.080 19285 1698 1 5 . 1 1 25 25 PHE CA C 25 60.766 60.766 60.831 -0.065 19285 1699 1 5 . 1 1 25 25 PHE CB C 25 40.514 40.514 39.138 1.376 19285 1700 1 5 . 1 1 25 25 PHE H H 25 8.931 8.931 8.521 0.410 19285 1701 1 5 . 1 1 26 26 GLY N N 26 103.509 103.509 106.506 -2.997 19285 1702 1 5 . 1 1 26 26 GLY C C 26 175.475 175.475 175.674 -0.199 19285 1703 1 5 . 1 1 26 26 GLY CA C 26 47.163 47.163 47.499 -0.337 19285 1704 1 5 . 1 1 26 26 GLY H H 26 7.891 7.891 8.229 -0.338 19285 1705 1 5 . 1 1 27 27 ASP N N 27 119.470 119.470 122.024 -2.554 19285 1706 1 5 . 1 1 27 27 ASP HA H 27 4.545 4.545 4.492 0.053 19285 1707 1 5 . 1 1 27 27 ASP C C 27 177.555 177.555 178.455 -0.900 19285 1708 1 5 . 1 1 27 27 ASP CA C 27 56.657 56.657 56.736 -0.079 19285 1709 1 5 . 1 1 27 27 ASP CB C 27 40.521 40.521 40.614 -0.093 19285 1710 1 5 . 1 1 27 27 ASP H H 27 7.492 7.492 7.617 -0.125 19285 1711 1 5 . 1 1 28 28 ILE N N 28 119.005 119.005 119.441 -0.436 19285 1712 1 5 . 1 1 28 28 ILE HA H 28 3.222 3.222 3.174 0.048 19285 1713 1 5 . 1 1 28 28 ILE C C 28 178.112 178.112 177.134 0.978 19285 1714 1 5 . 1 1 28 28 ILE CA C 28 63.693 63.693 64.185 -0.492 19285 1715 1 5 . 1 1 28 28 ILE CB C 28 36.967 36.967 37.396 -0.429 19285 1716 1 5 . 1 1 28 28 ILE H H 28 7.290 7.290 7.395 -0.105 19285 1717 1 5 . 1 1 29 29 ILE N N 29 118.036 118.036 116.569 1.467 19285 1718 1 5 . 1 1 29 29 ILE HA H 29 3.792 3.792 3.956 -0.164 19285 1719 1 5 . 1 1 29 29 ILE C C 29 178.396 178.396 178.478 -0.082 19285 1720 1 5 . 1 1 29 29 ILE CA C 29 61.114 61.114 60.616 0.498 19285 1721 1 5 . 1 1 29 29 ILE CB C 29 36.103 36.103 37.153 -1.050 19285 1722 1 5 . 1 1 29 29 ILE H H 29 7.217 7.217 7.120 0.097 19285 1723 1 5 . 1 1 30 30 ARG N N 30 120.280 120.280 122.092 -1.812 19285 1724 1 5 . 1 1 30 30 ARG HA H 30 4.165 4.165 4.021 0.144 19285 1725 1 5 . 1 1 30 30 ARG C C 30 178.243 178.243 178.845 -0.602 19285 1726 1 5 . 1 1 30 30 ARG CA C 30 58.528 58.528 59.459 -0.931 19285 1727 1 5 . 1 1 30 30 ARG CB C 30 29.873 29.873 29.879 -0.006 19285 1728 1 5 . 1 1 30 30 ARG H H 30 7.748 7.748 8.179 -0.431 19285 1729 1 5 . 1 1 31 31 LEU N N 31 119.077 119.077 118.418 0.659 19285 1730 1 5 . 1 1 31 31 LEU HA H 31 4.211 4.211 4.205 0.006 19285 1731 1 5 . 1 1 31 31 LEU C C 31 178.573 178.573 178.152 0.421 19285 1732 1 5 . 1 1 31 31 LEU CA C 31 56.866 56.866 57.246 -0.380 19285 1733 1 5 . 1 1 31 31 LEU CB C 31 41.900 41.900 42.300 -0.400 19285 1734 1 5 . 1 1 31 31 LEU H H 31 7.614 7.614 7.719 -0.105 19285 1735 1 5 . 1 1 32 32 THR N N 32 108.038 108.038 105.486 2.552 19285 1736 1 5 . 1 1 32 32 THR HA H 32 4.346 4.346 4.513 -0.167 19285 1737 1 5 . 1 1 32 32 THR C C 32 175.796 175.796 175.497 0.299 19285 1738 1 5 . 1 1 32 32 THR CA C 32 62.532 62.532 61.560 0.972 19285 1739 1 5 . 1 1 32 32 THR CB C 32 70.251 70.251 69.997 0.254 19285 1740 1 5 . 1 1 32 32 THR H H 32 7.652 7.652 7.786 -0.134 19285 1741 1 5 . 1 1 33 33 GLY N N 33 109.261 109.261 110.361 -1.100 19285 1742 1 5 . 1 1 33 33 GLY C C 33 174.020 174.020 175.436 -1.416 19285 1743 1 5 . 1 1 33 33 GLY CA C 33 45.617 45.617 44.285 1.332 19285 1744 1 5 . 1 1 33 33 GLY H H 33 7.812 7.812 7.990 -0.178 19285 1745 1 5 . 1 1 34 34 GLU N N 34 120.265 120.265 120.536 -0.271 19285 1746 1 5 . 1 1 34 34 GLU HA H 34 4.264 4.264 4.060 0.204 19285 1747 1 5 . 1 1 34 34 GLU C C 34 176.124 176.124 177.197 -1.073 19285 1748 1 5 . 1 1 34 34 GLU CA C 34 56.198 56.198 58.655 -2.457 19285 1749 1 5 . 1 1 34 34 GLU CB C 34 30.221 30.221 29.400 0.821 19285 1750 1 5 . 1 1 34 34 GLU H H 34 7.857 7.857 8.613 -0.756 19285 1751 1 5 . 1 1 35 35 GLN N N 35 122.159 122.159 115.586 6.573 19285 1752 1 5 . 1 1 35 35 GLN HA H 35 4.319 4.319 4.405 -0.086 19285 1753 1 5 . 1 1 35 35 GLN C C 35 174.957 174.957 175.522 -0.565 19285 1754 1 5 . 1 1 35 35 GLN CA C 35 55.489 55.489 55.060 0.429 19285 1755 1 5 . 1 1 35 35 GLN CB C 35 27.772 27.772 29.109 -1.337 19285 1756 1 5 . 1 1 35 35 GLN H H 35 8.683 8.683 8.425 0.258 19285 1757 1 5 . 1 1 36 36 LEU N N 36 124.703 124.703 120.636 4.067 19285 1758 1 5 . 1 1 36 36 LEU HA H 36 4.764 4.764 4.683 0.081 19285 1759 1 5 . 1 1 36 36 LEU C C 36 177.647 177.647 176.942 0.705 19285 1760 1 5 . 1 1 36 36 LEU CA C 36 53.868 53.868 53.750 0.118 19285 1761 1 5 . 1 1 36 36 LEU CB C 36 44.448 44.448 44.045 0.403 19285 1762 1 5 . 1 1 36 36 LEU H H 36 7.790 7.790 7.449 0.341 19285 1763 1 5 . 1 1 37 37 THR N N 37 114.475 114.475 113.063 1.412 19285 1764 1 5 . 1 1 37 37 THR HA H 37 4.485 4.485 4.530 -0.045 19285 1765 1 5 . 1 1 37 37 THR C C 37 175.339 175.339 175.320 0.019 19285 1766 1 5 . 1 1 37 37 THR CA C 37 60.591 60.591 60.327 0.264 19285 1767 1 5 . 1 1 37 37 THR CB C 37 71.227 71.227 70.746 0.481 19285 1768 1 5 . 1 1 37 37 THR H H 37 9.146 9.146 9.068 0.078 19285 1769 1 5 . 1 1 38 38 ASP N N 38 120.839 120.839 120.995 -0.156 19285 1770 1 5 . 1 1 38 38 ASP HA H 38 4.255 4.255 4.380 -0.125 19285 1771 1 5 . 1 1 38 38 ASP C C 38 177.870 177.870 178.647 -0.777 19285 1772 1 5 . 1 1 38 38 ASP CA C 38 57.889 57.889 57.478 0.411 19285 1773 1 5 . 1 1 38 38 ASP CB C 38 39.895 39.895 40.261 -0.367 19285 1774 1 5 . 1 1 38 38 ASP H H 38 8.857 8.857 8.824 0.033 19285 1775 1 5 . 1 1 39 39 GLU N N 39 118.596 118.596 119.656 -1.060 19285 1776 1 5 . 1 1 39 39 GLU HA H 39 4.120 4.120 4.084 0.036 19285 1777 1 5 . 1 1 39 39 GLU C C 39 179.052 179.052 178.584 0.468 19285 1778 1 5 . 1 1 39 39 GLU CA C 39 59.662 59.662 59.191 0.471 19285 1779 1 5 . 1 1 39 39 GLU CB C 39 28.823 28.823 29.649 -0.826 19285 1780 1 5 . 1 1 39 39 GLU H H 39 8.389 8.389 8.465 -0.076 19285 1781 1 5 . 1 1 40 40 ASP N N 40 121.412 121.412 120.515 0.897 19285 1782 1 5 . 1 1 40 40 ASP HA H 40 4.460 4.460 4.450 0.010 19285 1783 1 5 . 1 1 40 40 ASP C C 40 179.307 179.307 178.965 0.342 19285 1784 1 5 . 1 1 40 40 ASP CA C 40 57.164 57.164 57.313 -0.149 19285 1785 1 5 . 1 1 40 40 ASP CB C 40 41.229 41.229 40.508 0.721 19285 1786 1 5 . 1 1 40 40 ASP H H 40 7.768 7.768 7.964 -0.196 19285 1787 1 5 . 1 1 41 41 VAL N N 41 121.053 121.053 120.201 0.852 19285 1788 1 5 . 1 1 41 41 VAL HA H 41 3.605 3.605 3.711 -0.106 19285 1789 1 5 . 1 1 41 41 VAL C C 41 177.685 177.685 177.996 -0.311 19285 1790 1 5 . 1 1 41 41 VAL CA C 41 67.286 67.286 66.672 0.614 19285 1791 1 5 . 1 1 41 41 VAL CB C 41 31.498 31.498 31.778 -0.280 19285 1792 1 5 . 1 1 41 41 VAL H H 41 8.215 8.215 8.037 0.178 19285 1793 1 5 . 1 1 42 42 ASP N N 42 120.507 120.507 120.537 -0.030 19285 1794 1 5 . 1 1 42 42 ASP HA H 42 4.213 4.213 4.463 -0.250 19285 1795 1 5 . 1 1 42 42 ASP C C 42 179.444 179.444 179.046 0.398 19285 1796 1 5 . 1 1 42 42 ASP CA C 42 57.744 57.744 57.708 0.036 19285 1797 1 5 . 1 1 42 42 ASP CB C 42 40.082 40.082 40.176 -0.094 19285 1798 1 5 . 1 1 42 42 ASP H H 42 8.527 8.527 8.068 0.459 19285 1799 1 5 . 1 1 43 43 GLU N N 43 121.091 121.091 120.131 0.960 19285 1800 1 5 . 1 1 43 43 GLU HA H 43 4.119 4.119 4.098 0.021 19285 1801 1 5 . 1 1 43 43 GLU C C 43 178.328 178.328 179.219 -0.891 19285 1802 1 5 . 1 1 43 43 GLU CA C 43 59.264 59.264 59.394 -0.130 19285 1803 1 5 . 1 1 43 43 GLU CB C 43 29.277 29.277 29.777 -0.500 19285 1804 1 5 . 1 1 43 43 GLU H H 43 7.758 7.758 8.098 -0.340 19285 1805 1 5 . 1 1 44 44 ILE N N 44 120.248 120.248 120.839 -0.591 19285 1806 1 5 . 1 1 44 44 ILE HA H 44 3.957 3.957 3.790 0.167 19285 1807 1 5 . 1 1 44 44 ILE C C 44 179.412 179.412 177.973 1.439 19285 1808 1 5 . 1 1 44 44 ILE CA C 44 64.747 64.747 65.234 -0.487 19285 1809 1 5 . 1 1 44 44 ILE CB C 44 38.919 38.919 38.107 0.812 19285 1810 1 5 . 1 1 44 44 ILE H H 44 7.934 7.934 8.098 -0.164 19285 1811 1 5 . 1 1 45 45 PHE N N 45 124.028 124.028 121.475 2.553 19285 1812 1 5 . 1 1 45 45 PHE HA H 45 3.126 3.126 3.433 -0.307 19285 1813 1 5 . 1 1 45 45 PHE C C 45 176.732 176.732 177.642 -0.910 19285 1814 1 5 . 1 1 45 45 PHE CA C 45 62.039 62.039 60.876 1.163 19285 1815 1 5 . 1 1 45 45 PHE CB C 45 38.562 38.562 38.508 0.054 19285 1816 1 5 . 1 1 45 45 PHE H H 45 9.019 9.019 8.717 0.302 19285 1817 1 5 . 1 1 46 46 GLY N N 46 104.229 104.229 106.405 -2.176 19285 1818 1 5 . 1 1 46 46 GLY C C 46 176.365 176.365 175.305 1.060 19285 1819 1 5 . 1 1 46 46 GLY CA C 46 47.055 47.055 46.859 0.196 19285 1820 1 5 . 1 1 46 46 GLY H H 46 8.219 8.219 8.114 0.105 19285 1821 1 5 . 1 1 47 47 ASP N N 47 119.686 119.686 120.290 -0.604 19285 1822 1 5 . 1 1 47 47 ASP HA H 47 4.343 4.343 4.473 -0.130 19285 1823 1 5 . 1 1 47 47 ASP C C 47 178.101 178.101 177.438 0.663 19285 1824 1 5 . 1 1 47 47 ASP CA C 47 56.235 56.235 56.055 0.180 19285 1825 1 5 . 1 1 47 47 ASP CB C 47 40.558 40.558 41.059 -0.501 19285 1826 1 5 . 1 1 47 47 ASP H H 47 8.106 8.106 7.800 0.306 19285 1827 1 5 . 1 1 48 48 SER N N 48 113.923 113.923 111.769 2.154 19285 1828 1 5 . 1 1 48 48 SER HA H 48 4.281 4.281 4.213 0.068 19285 1829 1 5 . 1 1 48 48 SER C C 48 173.432 173.432 175.137 -1.705 19285 1830 1 5 . 1 1 48 48 SER CA C 48 59.878 59.878 59.892 -0.014 19285 1831 1 5 . 1 1 48 48 SER CB C 48 63.709 63.709 63.593 0.116 19285 1832 1 5 . 1 1 48 48 SER H H 48 7.567 7.567 7.840 -0.273 19285 1833 1 5 . 1 1 49 49 ASP N N 49 121.595 121.595 123.699 -2.104 19285 1834 1 5 . 1 1 49 49 ASP HA H 49 4.424 4.424 4.679 -0.255 19285 1835 1 5 . 1 1 49 49 ASP C C 49 177.055 177.055 176.589 0.466 19285 1836 1 5 . 1 1 49 49 ASP CA C 49 51.836 51.836 52.678 -0.842 19285 1837 1 5 . 1 1 49 49 ASP CB C 49 38.427 38.427 39.316 -0.889 19285 1838 1 5 . 1 1 49 49 ASP H H 49 7.323 7.323 7.597 -0.274 19285 1839 1 5 . 1 1 50 50 THR N N 50 119.204 119.204 114.751 4.453 19285 1840 1 5 . 1 1 50 50 THR HA H 50 3.863 3.863 4.192 -0.329 19285 1841 1 5 . 1 1 50 50 THR C C 50 176.041 176.041 175.890 0.151 19285 1842 1 5 . 1 1 50 50 THR CA C 50 65.351 65.351 63.918 1.433 19285 1843 1 5 . 1 1 50 50 THR CB C 50 68.597 68.597 69.156 -0.559 19285 1844 1 5 . 1 1 50 50 THR H H 50 7.841 7.841 8.116 -0.275 19285 1845 1 5 . 1 1 51 51 ASP N N 51 117.233 117.233 120.966 -3.733 19285 1846 1 5 . 1 1 51 51 ASP HA H 51 4.607 4.607 4.685 -0.078 19285 1847 1 5 . 1 1 51 51 ASP C C 51 175.994 175.994 175.229 0.765 19285 1848 1 5 . 1 1 51 51 ASP CA C 51 52.795 52.795 54.602 -1.807 19285 1849 1 5 . 1 1 51 51 ASP CB C 51 39.098 39.098 40.763 -1.665 19285 1850 1 5 . 1 1 51 51 ASP H H 51 7.972 7.972 8.346 -0.374 19285 1851 1 5 . 1 1 52 52 LYS N N 52 113.938 113.938 115.990 -2.052 19285 1852 1 5 . 1 1 52 52 LYS HA H 52 3.961 3.961 4.057 -0.096 19285 1853 1 5 . 1 1 52 52 LYS C C 52 176.126 176.126 175.620 0.506 19285 1854 1 5 . 1 1 52 52 LYS CA C 52 56.238 56.238 57.197 -0.959 19285 1855 1 5 . 1 1 52 52 LYS CB C 52 28.711 28.711 30.006 -1.295 19285 1856 1 5 . 1 1 52 52 LYS H H 52 7.729 7.729 7.881 -0.152 19285 1857 1 5 . 1 1 53 53 ASN N N 53 117.127 117.127 116.812 0.315 19285 1858 1 5 . 1 1 53 53 ASN HA H 53 4.764 4.764 4.793 -0.029 19285 1859 1 5 . 1 1 53 53 ASN C C 53 177.056 177.056 176.255 0.801 19285 1860 1 5 . 1 1 53 53 ASN CA C 53 51.626 51.626 52.169 -0.542 19285 1861 1 5 . 1 1 53 53 ASN CB C 53 37.742 37.742 39.000 -1.258 19285 1862 1 5 . 1 1 53 53 ASN H H 53 8.193 8.193 8.410 -0.217 19285 1863 1 5 . 1 1 54 54 GLY N N 54 113.327 113.327 109.962 3.365 19285 1864 1 5 . 1 1 54 54 GLY C C 54 172.983 172.983 173.514 -0.531 19285 1865 1 5 . 1 1 54 54 GLY CA C 54 45.671 45.671 45.812 -0.141 19285 1866 1 5 . 1 1 54 54 GLY H H 54 10.782 10.782 9.085 1.697 19285 1867 1 5 . 1 1 55 55 ARG N N 55 115.634 115.634 118.255 -2.621 19285 1868 1 5 . 1 1 55 55 ARG HA H 55 4.826 4.826 4.985 -0.159 19285 1869 1 5 . 1 1 55 55 ARG C C 55 173.745 173.745 175.063 -1.318 19285 1870 1 5 . 1 1 55 55 ARG CA C 55 54.044 54.044 53.855 0.189 19285 1871 1 5 . 1 1 55 55 ARG CB C 55 33.457 33.457 33.222 0.235 19285 1872 1 5 . 1 1 55 55 ARG H H 55 7.501 7.501 8.473 -0.972 19285 1873 1 5 . 1 1 56 56 ILE N N 56 127.446 127.446 125.586 1.860 19285 1874 1 5 . 1 1 56 56 ILE HA H 56 5.127 5.127 4.927 0.200 19285 1875 1 5 . 1 1 56 56 ILE C C 56 175.886 175.886 176.182 -0.296 19285 1876 1 5 . 1 1 56 56 ILE CA C 56 58.892 58.892 58.424 0.468 19285 1877 1 5 . 1 1 56 56 ILE CB C 56 36.907 36.907 37.731 -0.824 19285 1878 1 5 . 1 1 56 56 ILE H H 56 9.592 9.592 9.099 0.493 19285 1879 1 5 . 1 1 57 57 ASP N N 57 129.499 129.499 128.128 1.371 19285 1880 1 5 . 1 1 57 57 ASP HA H 57 5.185 5.185 5.057 0.128 19285 1881 1 5 . 1 1 57 57 ASP C C 57 175.630 175.630 177.373 -1.743 19285 1882 1 5 . 1 1 57 57 ASP CA C 57 52.329 52.329 52.399 -0.070 19285 1883 1 5 . 1 1 57 57 ASP CB C 57 42.175 42.175 42.017 0.158 19285 1884 1 5 . 1 1 57 57 ASP H H 57 9.267 9.267 8.272 0.995 19285 1885 1 5 . 1 1 58 58 PHE N N 58 118.391 118.391 118.260 0.131 19285 1886 1 5 . 1 1 58 58 PHE HA H 58 3.761 3.761 3.773 -0.012 19285 1887 1 5 . 1 1 58 58 PHE C C 58 176.306 176.306 177.330 -1.024 19285 1888 1 5 . 1 1 58 58 PHE CA C 58 61.806 61.806 63.703 -1.897 19285 1889 1 5 . 1 1 58 58 PHE CB C 58 38.539 38.539 38.842 -0.303 19285 1890 1 5 . 1 1 58 58 PHE H H 58 8.799 8.799 8.729 0.070 19285 1891 1 5 . 1 1 59 59 ASP N N 59 118.077 118.077 119.648 -1.571 19285 1892 1 5 . 1 1 59 59 ASP HA H 59 4.167 4.167 4.426 -0.259 19285 1893 1 5 . 1 1 59 59 ASP C C 59 179.808 179.808 178.844 0.964 19285 1894 1 5 . 1 1 59 59 ASP CA C 59 57.781 57.781 57.733 0.048 19285 1895 1 5 . 1 1 59 59 ASP CB C 59 41.399 41.399 40.227 1.171 19285 1896 1 5 . 1 1 59 59 ASP H H 59 7.930 7.930 8.358 -0.428 19285 1897 1 5 . 1 1 60 60 GLU N N 60 117.047 117.047 120.573 -3.526 19285 1898 1 5 . 1 1 60 60 GLU HA H 60 3.967 3.967 4.127 -0.160 19285 1899 1 5 . 1 1 60 60 GLU C C 60 180.287 180.287 179.176 1.111 19285 1900 1 5 . 1 1 60 60 GLU CA C 60 58.326 58.326 59.131 -0.805 19285 1901 1 5 . 1 1 60 60 GLU CB C 60 29.925 29.925 29.798 0.127 19285 1902 1 5 . 1 1 60 60 GLU H H 60 7.331 7.331 8.898 -1.567 19285 1903 1 5 . 1 1 61 61 PHE N N 61 124.075 124.075 121.953 2.122 19285 1904 1 5 . 1 1 61 61 PHE HA H 61 4.155 4.155 4.306 -0.151 19285 1905 1 5 . 1 1 61 61 PHE C C 61 176.012 176.012 177.167 -1.155 19285 1906 1 5 . 1 1 61 61 PHE CA C 61 61.100 61.100 61.806 -0.706 19285 1907 1 5 . 1 1 61 61 PHE CB C 61 39.493 39.493 39.500 -0.007 19285 1908 1 5 . 1 1 61 61 PHE H H 61 9.079 9.079 8.716 0.363 19285 1909 1 5 . 1 1 62 62 LEU N N 62 119.964 119.964 119.761 0.203 19285 1910 1 5 . 1 1 62 62 LEU HA H 62 3.501 3.501 3.900 -0.399 19285 1911 1 5 . 1 1 62 62 LEU C C 62 179.855 179.855 179.071 0.784 19285 1912 1 5 . 1 1 62 62 LEU CA C 62 58.109 58.109 58.124 -0.015 19285 1913 1 5 . 1 1 62 62 LEU CB C 62 40.495 40.495 41.401 -0.906 19285 1914 1 5 . 1 1 62 62 LEU H H 62 8.416 8.416 8.576 -0.160 19285 1915 1 5 . 1 1 63 63 LYS N N 63 121.221 121.221 118.320 2.901 19285 1916 1 5 . 1 1 63 63 LYS HA H 63 4.060 4.060 3.981 0.079 19285 1917 1 5 . 1 1 63 63 LYS C C 63 178.875 178.875 178.975 -0.100 19285 1918 1 5 . 1 1 63 63 LYS CA C 63 58.288 58.288 59.147 -0.859 19285 1919 1 5 . 1 1 63 63 LYS CB C 63 31.683 31.683 32.342 -0.659 19285 1920 1 5 . 1 1 63 63 LYS H H 63 8.804 8.804 7.766 1.038 19285 1921 1 5 . 1 1 64 64 MET N N 64 119.896 119.896 119.512 0.384 19285 1922 1 5 . 1 1 64 64 MET HA H 64 4.108 4.108 4.159 -0.051 19285 1923 1 5 . 1 1 64 64 MET C C 64 178.427 178.427 178.165 0.262 19285 1924 1 5 . 1 1 64 64 MET CA C 64 58.374 58.374 57.691 0.683 19285 1925 1 5 . 1 1 64 64 MET CB C 64 32.200 32.200 32.528 -0.328 19285 1926 1 5 . 1 1 64 64 MET H H 64 7.895 7.895 7.988 -0.093 19285 1927 1 5 . 1 1 65 65 MET N N 65 116.299 116.299 116.590 -0.291 19285 1928 1 5 . 1 1 65 65 MET HA H 65 4.337 4.337 4.008 0.329 19285 1929 1 5 . 1 1 65 65 MET C C 65 178.184 178.184 178.495 -0.311 19285 1930 1 5 . 1 1 65 65 MET CA C 65 55.118 55.118 56.551 -1.433 19285 1931 1 5 . 1 1 65 65 MET CB C 65 30.790 30.790 30.703 0.087 19285 1932 1 5 . 1 1 65 65 MET H H 65 7.859 7.859 8.203 -0.344 19285 1933 1 5 . 1 1 66 66 GLU N N 66 119.624 119.624 118.015 1.609 19285 1934 1 5 . 1 1 66 66 GLU HA H 66 4.091 4.091 4.058 0.033 19285 1935 1 5 . 1 1 66 66 GLU C C 66 177.017 177.017 177.269 -0.252 19285 1936 1 5 . 1 1 66 66 GLU CA C 66 58.092 58.092 58.602 -0.510 19285 1937 1 5 . 1 1 66 66 GLU CB C 66 29.619 29.619 29.270 0.349 19285 1938 1 5 . 1 1 66 66 GLU H H 66 7.568 7.568 7.917 -0.349 19285 1939 1 5 . 1 1 67 67 ASN N N 67 116.153 116.153 115.122 1.031 19285 1940 1 5 . 1 1 67 67 ASN HA H 67 4.776 4.776 4.824 -0.048 19285 1941 1 5 . 1 1 67 67 ASN C C 67 175.231 175.231 174.524 0.707 19285 1942 1 5 . 1 1 67 67 ASN CA C 67 53.440 53.440 52.968 0.472 19285 1943 1 5 . 1 1 67 67 ASN CB C 67 39.284 39.284 39.479 -0.195 19285 1944 1 5 . 1 1 67 67 ASN H H 67 7.819 7.819 7.851 -0.032 19285 1945 1 5 . 1 1 68 68 VAL N N 68 119.217 119.217 120.934 -1.717 19285 1946 1 5 . 1 1 68 68 VAL HA H 68 4.147 4.147 4.010 0.137 19285 1947 1 5 . 1 1 68 68 VAL C C 68 175.101 175.101 175.269 -0.168 19285 1948 1 5 . 1 1 68 68 VAL CA C 68 62.576 62.576 61.924 0.652 19285 1949 1 5 . 1 1 68 68 VAL CB C 68 32.250 32.250 32.550 -0.300 19285 1950 1 5 . 1 1 68 68 VAL H H 68 7.641 7.641 7.362 0.279 19285 1951 1 6 . 1 1 2 2 GLU N N 2 122.304 122.304 122.966 -0.662 19285 1952 1 6 . 1 1 2 2 GLU HA H 2 4.059 4.059 4.004 0.055 19285 1953 1 6 . 1 1 2 2 GLU C C 2 178.560 178.560 178.083 0.477 19285 1954 1 6 . 1 1 2 2 GLU CA C 2 59.898 59.898 59.873 0.025 19285 1955 1 6 . 1 1 2 2 GLU CB C 2 29.215 29.215 29.544 -0.329 19285 1956 1 6 . 1 1 2 2 GLU H H 2 8.881 8.881 8.959 -0.078 19285 1957 1 6 . 1 1 3 3 GLU N N 3 120.033 120.033 116.908 3.125 19285 1958 1 6 . 1 1 3 3 GLU HA H 3 4.155 4.155 4.150 0.005 19285 1959 1 6 . 1 1 3 3 GLU C C 3 179.048 179.048 179.115 -0.067 19285 1960 1 6 . 1 1 3 3 GLU CA C 3 59.270 59.270 59.321 -0.051 19285 1961 1 6 . 1 1 3 3 GLU CB C 3 29.343 29.343 29.362 -0.019 19285 1962 1 6 . 1 1 3 3 GLU H H 3 8.528 8.528 8.721 -0.193 19285 1963 1 6 . 1 1 4 4 GLU N N 4 120.958 120.958 119.554 1.404 19285 1964 1 6 . 1 1 4 4 GLU HA H 4 4.176 4.176 4.253 -0.077 19285 1965 1 6 . 1 1 4 4 GLU C C 4 179.840 179.840 179.232 0.608 19285 1966 1 6 . 1 1 4 4 GLU CA C 4 58.953 58.953 58.562 0.391 19285 1967 1 6 . 1 1 4 4 GLU CB C 4 29.586 29.586 29.961 -0.375 19285 1968 1 6 . 1 1 4 4 GLU H H 4 8.101 8.101 7.826 0.275 19285 1969 1 6 . 1 1 5 5 LEU N N 5 120.900 120.900 120.419 0.481 19285 1970 1 6 . 1 1 5 5 LEU HA H 5 4.395 4.395 4.470 -0.075 19285 1971 1 6 . 1 1 5 5 LEU C C 5 179.432 179.432 179.241 0.191 19285 1972 1 6 . 1 1 5 5 LEU CA C 5 57.940 57.940 57.248 0.691 19285 1973 1 6 . 1 1 5 5 LEU CB C 5 41.647 41.647 41.843 -0.196 19285 1974 1 6 . 1 1 5 5 LEU H H 5 8.570 8.570 8.600 -0.030 19285 1975 1 6 . 1 1 6 6 SER N N 6 116.354 116.354 116.617 -0.263 19285 1976 1 6 . 1 1 6 6 SER HA H 6 4.261 4.261 4.195 0.066 19285 1977 1 6 . 1 1 6 6 SER C C 6 176.745 176.745 176.748 -0.003 19285 1978 1 6 . 1 1 6 6 SER CA C 6 61.992 61.992 62.292 -0.300 19285 1979 1 6 . 1 1 6 6 SER CB C 6 62.341 62.341 62.809 -0.468 19285 1980 1 6 . 1 1 6 6 SER H H 6 8.604 8.604 8.872 -0.268 19285 1981 1 6 . 1 1 7 7 GLU N N 7 122.072 122.072 121.659 0.413 19285 1982 1 6 . 1 1 7 7 GLU HA H 7 4.190 4.190 4.212 -0.022 19285 1983 1 6 . 1 1 7 7 GLU C C 7 178.189 178.189 178.940 -0.751 19285 1984 1 6 . 1 1 7 7 GLU CA C 7 58.831 58.831 59.020 -0.189 19285 1985 1 6 . 1 1 7 7 GLU CB C 7 28.965 28.965 29.674 -0.709 19285 1986 1 6 . 1 1 7 7 GLU H H 7 7.720 7.720 7.707 0.013 19285 1987 1 6 . 1 1 8 8 CYS N N 8 117.904 117.904 119.011 -1.107 19285 1988 1 6 . 1 1 8 8 CYS HA H 8 4.053 4.053 4.248 -0.195 19285 1989 1 6 . 1 1 8 8 CYS C C 8 175.681 175.681 177.134 -1.453 19285 1990 1 6 . 1 1 8 8 CYS CA C 8 62.437 62.437 64.039 -1.602 19285 1991 1 6 . 1 1 8 8 CYS CB C 8 26.416 26.416 27.037 -0.621 19285 1992 1 6 . 1 1 8 8 CYS H H 8 8.019 8.019 7.857 0.162 19285 1993 1 6 . 1 1 9 9 PHE N N 9 119.590 119.590 121.234 -1.644 19285 1994 1 6 . 1 1 9 9 PHE HA H 9 3.351 3.351 3.457 -0.106 19285 1995 1 6 . 1 1 9 9 PHE C C 9 175.681 175.681 176.917 -1.236 19285 1996 1 6 . 1 1 9 9 PHE CA C 9 62.181 62.181 62.103 0.078 19285 1997 1 6 . 1 1 9 9 PHE CB C 9 39.277 39.277 38.699 0.578 19285 1998 1 6 . 1 1 9 9 PHE H H 9 8.427 8.427 8.825 -0.398 19285 1999 1 6 . 1 1 10 10 ARG N N 10 114.910 114.910 117.605 -2.695 19285 2000 1 6 . 1 1 10 10 ARG HA H 10 3.953 3.953 3.896 0.057 19285 2001 1 6 . 1 1 10 10 ARG C C 10 178.486 178.486 178.103 0.383 19285 2002 1 6 . 1 1 10 10 ARG CA C 10 58.967 58.967 59.172 -0.205 19285 2003 1 6 . 1 1 10 10 ARG CB C 10 29.948 29.948 30.161 -0.213 19285 2004 1 6 . 1 1 10 10 ARG H H 10 7.558 7.558 7.462 0.096 19285 2005 1 6 . 1 1 11 11 ILE N N 11 118.349 118.349 118.648 -0.299 19285 2006 1 6 . 1 1 11 11 ILE HA H 11 3.582 3.582 3.662 -0.080 19285 2007 1 6 . 1 1 11 11 ILE C C 11 178.112 178.112 177.470 0.642 19285 2008 1 6 . 1 1 11 11 ILE CA C 11 63.622 63.622 64.317 -0.695 19285 2009 1 6 . 1 1 11 11 ILE CB C 11 37.340 37.340 38.083 -0.743 19285 2010 1 6 . 1 1 11 11 ILE H H 11 7.592 7.592 7.652 -0.060 19285 2011 1 6 . 1 1 12 12 PHE N N 12 116.960 116.960 116.024 0.936 19285 2012 1 6 . 1 1 12 12 PHE HA H 12 4.477 4.477 4.295 0.182 19285 2013 1 6 . 1 1 12 12 PHE C C 12 176.714 176.714 176.609 0.105 19285 2014 1 6 . 1 1 12 12 PHE CA C 12 58.669 58.669 59.032 -0.364 19285 2015 1 6 . 1 1 12 12 PHE CB C 12 39.165 39.165 39.284 -0.119 19285 2016 1 6 . 1 1 12 12 PHE H H 12 7.554 7.554 7.935 -0.381 19285 2017 1 6 . 1 1 13 13 ASP N N 13 119.667 119.667 119.628 0.039 19285 2018 1 6 . 1 1 13 13 ASP HA H 13 4.474 4.474 4.446 0.028 19285 2019 1 6 . 1 1 13 13 ASP C C 13 176.772 176.772 175.903 0.869 19285 2020 1 6 . 1 1 13 13 ASP CA C 13 52.106 52.106 52.558 -0.452 19285 2021 1 6 . 1 1 13 13 ASP CB C 13 37.794 37.794 39.030 -1.236 19285 2022 1 6 . 1 1 13 13 ASP H H 13 7.725 7.725 7.896 -0.171 19285 2023 1 6 . 1 1 14 14 LYS N N 14 125.111 125.111 123.166 1.945 19285 2024 1 6 . 1 1 14 14 LYS HA H 14 3.933 3.933 3.989 -0.056 19285 2025 1 6 . 1 1 14 14 LYS C C 14 178.180 178.180 177.446 0.734 19285 2026 1 6 . 1 1 14 14 LYS CA C 14 59.277 59.277 58.692 0.585 19285 2027 1 6 . 1 1 14 14 LYS CB C 14 32.988 32.988 32.460 0.528 19285 2028 1 6 . 1 1 14 14 LYS H H 14 7.577 7.577 7.805 -0.228 19285 2029 1 6 . 1 1 15 15 ASP N N 15 114.010 114.010 115.134 -1.124 19285 2030 1 6 . 1 1 15 15 ASP HA H 15 4.588 4.588 4.602 -0.014 19285 2031 1 6 . 1 1 15 15 ASP C C 15 177.680 177.680 176.167 1.513 19285 2032 1 6 . 1 1 15 15 ASP CA C 15 52.565 52.565 53.926 -1.361 19285 2033 1 6 . 1 1 15 15 ASP CB C 15 39.322 39.322 40.976 -1.654 19285 2034 1 6 . 1 1 15 15 ASP H H 15 8.032 8.032 8.308 -0.276 19285 2035 1 6 . 1 1 16 16 GLY N N 16 109.187 109.187 107.818 1.369 19285 2036 1 6 . 1 1 16 16 GLY C C 16 175.043 175.043 175.084 -0.041 19285 2037 1 6 . 1 1 16 16 GLY CA C 16 47.001 47.001 45.590 1.411 19285 2038 1 6 . 1 1 16 16 GLY H H 16 7.713 7.713 7.598 0.115 19285 2039 1 6 . 1 1 17 17 ASN N N 17 118.569 118.569 118.905 -0.336 19285 2040 1 6 . 1 1 17 17 ASN HA H 17 4.600 4.600 4.582 0.018 19285 2041 1 6 . 1 1 17 17 ASN C C 17 176.026 176.026 176.479 -0.453 19285 2042 1 6 . 1 1 17 17 ASN CA C 17 52.265 52.265 53.046 -0.781 19285 2043 1 6 . 1 1 17 17 ASN CB C 17 37.340 37.340 38.756 -1.416 19285 2044 1 6 . 1 1 17 17 ASN H H 17 8.118 8.118 8.582 -0.464 19285 2045 1 6 . 1 1 18 18 GLY N N 18 112.477 112.477 108.233 4.244 19285 2046 1 6 . 1 1 18 18 GLY C C 18 172.479 172.479 173.378 -0.899 19285 2047 1 6 . 1 1 18 18 GLY CA C 18 45.110 45.110 45.652 -0.542 19285 2048 1 6 . 1 1 18 18 GLY H H 18 10.596 10.596 8.866 1.730 19285 2049 1 6 . 1 1 19 19 PHE N N 19 113.792 113.792 113.655 0.137 19285 2050 1 6 . 1 1 19 19 PHE HA H 19 5.291 5.291 5.312 -0.021 19285 2051 1 6 . 1 1 19 19 PHE C C 19 173.646 173.646 173.151 0.495 19285 2052 1 6 . 1 1 19 19 PHE CA C 19 55.516 55.516 55.390 0.126 19285 2053 1 6 . 1 1 19 19 PHE CB C 19 43.196 43.196 41.537 1.659 19285 2054 1 6 . 1 1 19 19 PHE H H 19 7.500 7.500 6.800 0.700 19285 2055 1 6 . 1 1 20 20 ILE N N 20 126.629 126.629 122.975 3.654 19285 2056 1 6 . 1 1 20 20 ILE HA H 20 5.051 5.051 4.444 0.607 19285 2057 1 6 . 1 1 20 20 ILE C C 20 175.764 175.764 175.432 0.332 19285 2058 1 6 . 1 1 20 20 ILE CA C 20 58.933 58.933 59.578 -0.645 19285 2059 1 6 . 1 1 20 20 ILE CB C 20 37.846 37.846 38.334 -0.488 19285 2060 1 6 . 1 1 20 20 ILE H H 20 9.988 9.988 9.060 0.928 19285 2061 1 6 . 1 1 21 21 ASP N N 21 129.797 129.797 127.448 2.349 19285 2062 1 6 . 1 1 21 21 ASP HA H 21 5.124 5.124 5.260 -0.136 19285 2063 1 6 . 1 1 21 21 ASP C C 21 175.686 175.686 177.280 -1.594 19285 2064 1 6 . 1 1 21 21 ASP CA C 21 52.214 52.214 52.745 -0.531 19285 2065 1 6 . 1 1 21 21 ASP CB C 21 41.907 41.907 42.244 -0.337 19285 2066 1 6 . 1 1 21 21 ASP H H 21 9.322 9.322 8.692 0.630 19285 2067 1 6 . 1 1 22 22 ARG N N 22 118.041 118.041 121.324 -3.283 19285 2068 1 6 . 1 1 22 22 ARG HA H 22 3.359 3.359 3.646 -0.287 19285 2069 1 6 . 1 1 22 22 ARG C C 22 178.803 178.803 177.788 1.015 19285 2070 1 6 . 1 1 22 22 ARG CA C 22 58.193 58.193 60.083 -1.890 19285 2071 1 6 . 1 1 22 22 ARG CB C 22 28.264 28.264 29.820 -1.556 19285 2072 1 6 . 1 1 22 22 ARG H H 22 8.564 8.564 8.889 -0.325 19285 2073 1 6 . 1 1 23 23 GLU N N 23 122.771 122.771 118.563 4.208 19285 2074 1 6 . 1 1 23 23 GLU HA H 23 4.108 4.108 4.041 0.067 19285 2075 1 6 . 1 1 23 23 GLU C C 23 180.100 180.100 178.462 1.638 19285 2076 1 6 . 1 1 23 23 GLU CA C 23 59.392 59.392 59.703 -0.311 19285 2077 1 6 . 1 1 23 23 GLU CB C 23 28.950 28.950 29.265 -0.315 19285 2078 1 6 . 1 1 23 23 GLU H H 23 8.309 8.309 8.551 -0.242 19285 2079 1 6 . 1 1 24 24 GLU N N 24 122.272 122.272 117.827 4.445 19285 2080 1 6 . 1 1 24 24 GLU HA H 24 4.179 4.179 4.263 -0.084 19285 2081 1 6 . 1 1 24 24 GLU C C 24 179.466 179.466 178.979 0.487 19285 2082 1 6 . 1 1 24 24 GLU CA C 24 58.237 58.237 57.877 0.360 19285 2083 1 6 . 1 1 24 24 GLU CB C 24 30.455 30.455 29.439 1.016 19285 2084 1 6 . 1 1 24 24 GLU H H 24 9.062 9.062 8.860 0.202 19285 2085 1 6 . 1 1 25 25 PHE N N 25 118.985 118.985 122.432 -3.447 19285 2086 1 6 . 1 1 25 25 PHE HA H 25 4.050 4.050 4.204 -0.154 19285 2087 1 6 . 1 1 25 25 PHE C C 25 176.876 176.876 177.147 -0.271 19285 2088 1 6 . 1 1 25 25 PHE CA C 25 60.766 60.766 60.894 -0.128 19285 2089 1 6 . 1 1 25 25 PHE CB C 25 40.514 40.514 38.920 1.594 19285 2090 1 6 . 1 1 25 25 PHE H H 25 8.931 8.931 8.723 0.208 19285 2091 1 6 . 1 1 26 26 GLY N N 26 103.509 103.509 106.602 -3.093 19285 2092 1 6 . 1 1 26 26 GLY C C 26 175.475 175.475 175.704 -0.229 19285 2093 1 6 . 1 1 26 26 GLY CA C 26 47.163 47.163 47.589 -0.426 19285 2094 1 6 . 1 1 26 26 GLY H H 26 7.891 7.891 8.491 -0.600 19285 2095 1 6 . 1 1 27 27 ASP N N 27 119.470 119.470 121.274 -1.804 19285 2096 1 6 . 1 1 27 27 ASP HA H 27 4.545 4.545 4.527 0.018 19285 2097 1 6 . 1 1 27 27 ASP C C 27 177.555 177.555 178.047 -0.492 19285 2098 1 6 . 1 1 27 27 ASP CA C 27 56.657 56.657 56.651 0.006 19285 2099 1 6 . 1 1 27 27 ASP CB C 27 40.521 40.521 40.581 -0.061 19285 2100 1 6 . 1 1 27 27 ASP H H 27 7.492 7.492 7.562 -0.070 19285 2101 1 6 . 1 1 28 28 ILE N N 28 119.005 119.005 119.332 -0.327 19285 2102 1 6 . 1 1 28 28 ILE HA H 28 3.222 3.222 3.442 -0.220 19285 2103 1 6 . 1 1 28 28 ILE C C 28 178.112 178.112 178.246 -0.134 19285 2104 1 6 . 1 1 28 28 ILE CA C 28 63.693 63.693 64.350 -0.657 19285 2105 1 6 . 1 1 28 28 ILE CB C 28 36.967 36.967 37.921 -0.954 19285 2106 1 6 . 1 1 28 28 ILE H H 28 7.290 7.290 6.933 0.357 19285 2107 1 6 . 1 1 29 29 ILE N N 29 118.036 118.036 120.259 -2.223 19285 2108 1 6 . 1 1 29 29 ILE HA H 29 3.792 3.792 3.707 0.085 19285 2109 1 6 . 1 1 29 29 ILE C C 29 178.396 178.396 177.559 0.837 19285 2110 1 6 . 1 1 29 29 ILE CA C 29 61.114 61.114 61.896 -0.782 19285 2111 1 6 . 1 1 29 29 ILE CB C 29 36.103 36.103 37.465 -1.361 19285 2112 1 6 . 1 1 29 29 ILE H H 29 7.217 7.217 8.176 -0.959 19285 2113 1 6 . 1 1 30 30 ARG N N 30 120.280 120.280 120.675 -0.395 19285 2114 1 6 . 1 1 30 30 ARG HA H 30 4.165 4.165 4.004 0.161 19285 2115 1 6 . 1 1 30 30 ARG C C 30 178.243 178.243 178.738 -0.495 19285 2116 1 6 . 1 1 30 30 ARG CA C 30 58.528 58.528 59.109 -0.581 19285 2117 1 6 . 1 1 30 30 ARG CB C 30 29.873 29.873 29.794 0.079 19285 2118 1 6 . 1 1 30 30 ARG H H 30 7.748 7.748 7.573 0.175 19285 2119 1 6 . 1 1 31 31 LEU N N 31 119.077 119.077 118.535 0.542 19285 2120 1 6 . 1 1 31 31 LEU HA H 31 4.211 4.211 4.251 -0.040 19285 2121 1 6 . 1 1 31 31 LEU C C 31 178.573 178.573 177.884 0.689 19285 2122 1 6 . 1 1 31 31 LEU CA C 31 56.866 56.866 57.068 -0.202 19285 2123 1 6 . 1 1 31 31 LEU CB C 31 41.900 41.900 42.300 -0.400 19285 2124 1 6 . 1 1 31 31 LEU H H 31 7.614 7.614 7.615 -0.001 19285 2125 1 6 . 1 1 32 32 THR N N 32 108.038 108.038 106.356 1.682 19285 2126 1 6 . 1 1 32 32 THR HA H 32 4.346 4.346 4.545 -0.199 19285 2127 1 6 . 1 1 32 32 THR C C 32 175.796 175.796 174.946 0.850 19285 2128 1 6 . 1 1 32 32 THR CA C 32 62.532 62.532 61.059 1.473 19285 2129 1 6 . 1 1 32 32 THR CB C 32 70.251 70.251 69.618 0.633 19285 2130 1 6 . 1 1 32 32 THR H H 32 7.652 7.652 7.705 -0.053 19285 2131 1 6 . 1 1 33 33 GLY N N 33 109.261 109.261 109.742 -0.481 19285 2132 1 6 . 1 1 33 33 GLY C C 33 174.020 174.020 174.484 -0.464 19285 2133 1 6 . 1 1 33 33 GLY CA C 33 45.617 45.617 44.847 0.770 19285 2134 1 6 . 1 1 33 33 GLY H H 33 7.812 7.812 7.336 0.476 19285 2135 1 6 . 1 1 34 34 GLU N N 34 120.265 120.265 118.792 1.473 19285 2136 1 6 . 1 1 34 34 GLU HA H 34 4.264 4.264 4.103 0.161 19285 2137 1 6 . 1 1 34 34 GLU C C 34 176.124 176.124 177.485 -1.361 19285 2138 1 6 . 1 1 34 34 GLU CA C 34 56.198 56.198 58.323 -2.125 19285 2139 1 6 . 1 1 34 34 GLU CB C 34 30.221 30.221 29.639 0.582 19285 2140 1 6 . 1 1 34 34 GLU H H 34 7.857 7.857 8.468 -0.611 19285 2141 1 6 . 1 1 35 35 GLN N N 35 122.159 122.159 116.224 5.935 19285 2142 1 6 . 1 1 35 35 GLN HA H 35 4.319 4.319 4.301 0.018 19285 2143 1 6 . 1 1 35 35 GLN C C 35 174.957 174.957 174.971 -0.014 19285 2144 1 6 . 1 1 35 35 GLN CA C 35 55.489 55.489 55.471 0.018 19285 2145 1 6 . 1 1 35 35 GLN CB C 35 27.772 27.772 29.904 -2.132 19285 2146 1 6 . 1 1 35 35 GLN H H 35 8.683 8.683 8.120 0.563 19285 2147 1 6 . 1 1 36 36 LEU N N 36 124.703 124.703 119.790 4.913 19285 2148 1 6 . 1 1 36 36 LEU HA H 36 4.764 4.764 4.572 0.192 19285 2149 1 6 . 1 1 36 36 LEU C C 36 177.647 177.647 177.106 0.541 19285 2150 1 6 . 1 1 36 36 LEU CA C 36 53.868 53.868 53.904 -0.036 19285 2151 1 6 . 1 1 36 36 LEU CB C 36 44.448 44.448 43.533 0.915 19285 2152 1 6 . 1 1 36 36 LEU H H 36 7.790 7.790 7.342 0.448 19285 2153 1 6 . 1 1 37 37 THR N N 37 114.475 114.475 112.989 1.486 19285 2154 1 6 . 1 1 37 37 THR HA H 37 4.485 4.485 4.518 -0.033 19285 2155 1 6 . 1 1 37 37 THR C C 37 175.339 175.339 175.312 0.027 19285 2156 1 6 . 1 1 37 37 THR CA C 37 60.591 60.591 60.362 0.229 19285 2157 1 6 . 1 1 37 37 THR CB C 37 71.227 71.227 70.831 0.396 19285 2158 1 6 . 1 1 37 37 THR H H 37 9.146 9.146 9.003 0.143 19285 2159 1 6 . 1 1 38 38 ASP N N 38 120.839 120.839 120.970 -0.131 19285 2160 1 6 . 1 1 38 38 ASP HA H 38 4.255 4.255 4.375 -0.120 19285 2161 1 6 . 1 1 38 38 ASP C C 38 177.870 177.870 178.660 -0.790 19285 2162 1 6 . 1 1 38 38 ASP CA C 38 57.889 57.889 57.495 0.394 19285 2163 1 6 . 1 1 38 38 ASP CB C 38 39.895 39.895 40.242 -0.347 19285 2164 1 6 . 1 1 38 38 ASP H H 38 8.857 8.857 8.823 0.034 19285 2165 1 6 . 1 1 39 39 GLU N N 39 118.596 118.596 119.604 -1.008 19285 2166 1 6 . 1 1 39 39 GLU HA H 39 4.120 4.120 4.076 0.044 19285 2167 1 6 . 1 1 39 39 GLU C C 39 179.052 179.052 178.526 0.526 19285 2168 1 6 . 1 1 39 39 GLU CA C 39 59.662 59.662 59.235 0.427 19285 2169 1 6 . 1 1 39 39 GLU CB C 39 28.823 28.823 29.622 -0.799 19285 2170 1 6 . 1 1 39 39 GLU H H 39 8.389 8.389 8.497 -0.108 19285 2171 1 6 . 1 1 40 40 ASP N N 40 121.412 121.412 120.559 0.853 19285 2172 1 6 . 1 1 40 40 ASP HA H 40 4.460 4.460 4.616 -0.156 19285 2173 1 6 . 1 1 40 40 ASP C C 40 179.307 179.307 178.971 0.336 19285 2174 1 6 . 1 1 40 40 ASP CA C 40 57.164 57.164 57.280 -0.116 19285 2175 1 6 . 1 1 40 40 ASP CB C 40 41.229 41.229 40.474 0.755 19285 2176 1 6 . 1 1 40 40 ASP H H 40 7.768 7.768 7.951 -0.183 19285 2177 1 6 . 1 1 41 41 VAL N N 41 121.053 121.053 120.025 1.028 19285 2178 1 6 . 1 1 41 41 VAL HA H 41 3.605 3.605 3.652 -0.047 19285 2179 1 6 . 1 1 41 41 VAL C C 41 177.685 177.685 177.842 -0.157 19285 2180 1 6 . 1 1 41 41 VAL CA C 41 67.286 67.286 67.076 0.210 19285 2181 1 6 . 1 1 41 41 VAL CB C 41 31.498 31.498 31.746 -0.248 19285 2182 1 6 . 1 1 41 41 VAL H H 41 8.215 8.215 8.095 0.120 19285 2183 1 6 . 1 1 42 42 ASP N N 42 120.507 120.507 119.910 0.597 19285 2184 1 6 . 1 1 42 42 ASP HA H 42 4.213 4.213 4.493 -0.280 19285 2185 1 6 . 1 1 42 42 ASP C C 42 179.444 179.444 179.071 0.373 19285 2186 1 6 . 1 1 42 42 ASP CA C 42 57.744 57.744 57.587 0.158 19285 2187 1 6 . 1 1 42 42 ASP CB C 42 40.082 40.082 40.251 -0.169 19285 2188 1 6 . 1 1 42 42 ASP H H 42 8.527 8.527 7.884 0.643 19285 2189 1 6 . 1 1 43 43 GLU N N 43 121.091 121.091 120.372 0.719 19285 2190 1 6 . 1 1 43 43 GLU HA H 43 4.119 4.119 4.095 0.024 19285 2191 1 6 . 1 1 43 43 GLU C C 43 178.328 178.328 179.238 -0.910 19285 2192 1 6 . 1 1 43 43 GLU CA C 43 59.264 59.264 59.520 -0.256 19285 2193 1 6 . 1 1 43 43 GLU CB C 43 29.277 29.277 29.803 -0.526 19285 2194 1 6 . 1 1 43 43 GLU H H 43 7.758 7.758 8.067 -0.309 19285 2195 1 6 . 1 1 44 44 ILE N N 44 120.248 120.248 120.677 -0.429 19285 2196 1 6 . 1 1 44 44 ILE HA H 44 3.957 3.957 3.771 0.186 19285 2197 1 6 . 1 1 44 44 ILE C C 44 179.412 179.412 177.910 1.502 19285 2198 1 6 . 1 1 44 44 ILE CA C 44 64.747 64.747 65.343 -0.596 19285 2199 1 6 . 1 1 44 44 ILE CB C 44 38.919 38.919 38.124 0.795 19285 2200 1 6 . 1 1 44 44 ILE H H 44 7.934 7.934 8.309 -0.375 19285 2201 1 6 . 1 1 45 45 PHE N N 45 124.028 124.028 121.231 2.797 19285 2202 1 6 . 1 1 45 45 PHE HA H 45 3.126 3.126 3.599 -0.473 19285 2203 1 6 . 1 1 45 45 PHE C C 45 176.732 176.732 177.196 -0.464 19285 2204 1 6 . 1 1 45 45 PHE CA C 45 62.039 62.039 61.545 0.494 19285 2205 1 6 . 1 1 45 45 PHE CB C 45 38.562 38.562 38.618 -0.056 19285 2206 1 6 . 1 1 45 45 PHE H H 45 9.019 9.019 8.454 0.565 19285 2207 1 6 . 1 1 46 46 GLY N N 46 104.229 104.229 106.499 -2.270 19285 2208 1 6 . 1 1 46 46 GLY C C 46 176.365 176.365 175.263 1.102 19285 2209 1 6 . 1 1 46 46 GLY CA C 46 47.055 47.055 46.820 0.235 19285 2210 1 6 . 1 1 46 46 GLY H H 46 8.219 8.219 8.145 0.074 19285 2211 1 6 . 1 1 47 47 ASP N N 47 119.686 119.686 120.077 -0.391 19285 2212 1 6 . 1 1 47 47 ASP HA H 47 4.343 4.343 4.431 -0.088 19285 2213 1 6 . 1 1 47 47 ASP C C 47 178.101 178.101 177.533 0.568 19285 2214 1 6 . 1 1 47 47 ASP CA C 47 56.235 56.235 56.311 -0.076 19285 2215 1 6 . 1 1 47 47 ASP CB C 47 40.558 40.558 40.758 -0.200 19285 2216 1 6 . 1 1 47 47 ASP H H 47 8.106 8.106 7.988 0.118 19285 2217 1 6 . 1 1 48 48 SER N N 48 113.923 113.923 113.225 0.698 19285 2218 1 6 . 1 1 48 48 SER HA H 48 4.281 4.281 4.264 0.017 19285 2219 1 6 . 1 1 48 48 SER C C 48 173.432 173.432 175.035 -1.603 19285 2220 1 6 . 1 1 48 48 SER CA C 48 59.878 59.878 59.940 -0.062 19285 2221 1 6 . 1 1 48 48 SER CB C 48 63.709 63.709 63.786 -0.077 19285 2222 1 6 . 1 1 48 48 SER H H 48 7.567 7.567 7.867 -0.300 19285 2223 1 6 . 1 1 49 49 ASP N N 49 121.595 121.595 121.635 -0.040 19285 2224 1 6 . 1 1 49 49 ASP HA H 49 4.424 4.424 4.461 -0.037 19285 2225 1 6 . 1 1 49 49 ASP C C 49 177.055 177.055 177.509 -0.454 19285 2226 1 6 . 1 1 49 49 ASP CA C 49 51.836 51.836 53.374 -1.538 19285 2227 1 6 . 1 1 49 49 ASP CB C 49 38.427 38.427 39.155 -0.728 19285 2228 1 6 . 1 1 49 49 ASP H H 49 7.323 7.323 7.651 -0.328 19285 2229 1 6 . 1 1 50 50 THR N N 50 119.204 119.204 119.280 -0.076 19285 2230 1 6 . 1 1 50 50 THR HA H 50 3.863 3.863 4.050 -0.187 19285 2231 1 6 . 1 1 50 50 THR C C 50 176.041 176.041 175.484 0.557 19285 2232 1 6 . 1 1 50 50 THR CA C 50 65.351 65.351 65.324 0.027 19285 2233 1 6 . 1 1 50 50 THR CB C 50 68.597 68.597 69.004 -0.407 19285 2234 1 6 . 1 1 50 50 THR H H 50 7.841 7.841 8.326 -0.485 19285 2235 1 6 . 1 1 51 51 ASP N N 51 117.233 117.233 118.899 -1.666 19285 2236 1 6 . 1 1 51 51 ASP HA H 51 4.607 4.607 4.658 -0.051 19285 2237 1 6 . 1 1 51 51 ASP C C 51 175.994 175.994 174.987 1.007 19285 2238 1 6 . 1 1 51 51 ASP CA C 51 52.795 52.795 54.352 -1.557 19285 2239 1 6 . 1 1 51 51 ASP CB C 51 39.098 39.098 40.702 -1.604 19285 2240 1 6 . 1 1 51 51 ASP H H 51 7.972 7.972 8.297 -0.325 19285 2241 1 6 . 1 1 52 52 LYS N N 52 113.938 113.938 115.688 -1.750 19285 2242 1 6 . 1 1 52 52 LYS HA H 52 3.961 3.961 4.084 -0.123 19285 2243 1 6 . 1 1 52 52 LYS C C 52 176.126 176.126 175.622 0.504 19285 2244 1 6 . 1 1 52 52 LYS CA C 52 56.238 56.238 57.112 -0.874 19285 2245 1 6 . 1 1 52 52 LYS CB C 52 28.711 28.711 29.778 -1.067 19285 2246 1 6 . 1 1 52 52 LYS H H 52 7.729 7.729 7.716 0.013 19285 2247 1 6 . 1 1 53 53 ASN N N 53 117.127 117.127 116.437 0.690 19285 2248 1 6 . 1 1 53 53 ASN HA H 53 4.764 4.764 4.754 0.010 19285 2249 1 6 . 1 1 53 53 ASN C C 53 177.056 177.056 175.667 1.389 19285 2250 1 6 . 1 1 53 53 ASN CA C 53 51.626 51.626 52.596 -0.970 19285 2251 1 6 . 1 1 53 53 ASN CB C 53 37.742 37.742 39.219 -1.477 19285 2252 1 6 . 1 1 53 53 ASN H H 53 8.193 8.193 8.377 -0.184 19285 2253 1 6 . 1 1 54 54 GLY N N 54 113.327 113.327 108.313 5.014 19285 2254 1 6 . 1 1 54 54 GLY C C 54 172.983 172.983 173.107 -0.124 19285 2255 1 6 . 1 1 54 54 GLY CA C 54 45.671 45.671 45.531 0.140 19285 2256 1 6 . 1 1 54 54 GLY H H 54 10.782 10.782 8.977 1.805 19285 2257 1 6 . 1 1 55 55 ARG N N 55 115.634 115.634 118.307 -2.673 19285 2258 1 6 . 1 1 55 55 ARG HA H 55 4.826 4.826 4.825 0.001 19285 2259 1 6 . 1 1 55 55 ARG C C 55 173.745 173.745 174.773 -1.028 19285 2260 1 6 . 1 1 55 55 ARG CA C 55 54.044 54.044 54.721 -0.677 19285 2261 1 6 . 1 1 55 55 ARG CB C 55 33.457 33.457 33.488 -0.031 19285 2262 1 6 . 1 1 55 55 ARG H H 55 7.501 7.501 7.354 0.147 19285 2263 1 6 . 1 1 56 56 ILE N N 56 127.446 127.446 124.645 2.801 19285 2264 1 6 . 1 1 56 56 ILE HA H 56 5.127 5.127 4.377 0.750 19285 2265 1 6 . 1 1 56 56 ILE C C 56 175.886 175.886 175.178 0.708 19285 2266 1 6 . 1 1 56 56 ILE CA C 56 58.892 58.892 58.194 0.698 19285 2267 1 6 . 1 1 56 56 ILE CB C 56 36.907 36.907 38.217 -1.310 19285 2268 1 6 . 1 1 56 56 ILE H H 56 9.592 9.592 9.097 0.495 19285 2269 1 6 . 1 1 57 57 ASP N N 57 129.499 129.499 128.004 1.495 19285 2270 1 6 . 1 1 57 57 ASP HA H 57 5.185 5.185 4.952 0.233 19285 2271 1 6 . 1 1 57 57 ASP C C 57 175.630 175.630 176.865 -1.235 19285 2272 1 6 . 1 1 57 57 ASP CA C 57 52.329 52.329 52.996 -0.667 19285 2273 1 6 . 1 1 57 57 ASP CB C 57 42.175 42.175 41.943 0.232 19285 2274 1 6 . 1 1 57 57 ASP H H 57 9.267 9.267 8.597 0.670 19285 2275 1 6 . 1 1 58 58 PHE N N 58 118.391 118.391 119.111 -0.720 19285 2276 1 6 . 1 1 58 58 PHE HA H 58 3.761 3.761 4.127 -0.366 19285 2277 1 6 . 1 1 58 58 PHE C C 58 176.306 176.306 176.446 -0.140 19285 2278 1 6 . 1 1 58 58 PHE CA C 58 61.806 61.806 61.262 0.544 19285 2279 1 6 . 1 1 58 58 PHE CB C 58 38.539 38.539 39.166 -0.627 19285 2280 1 6 . 1 1 58 58 PHE H H 58 8.799 8.799 8.911 -0.112 19285 2281 1 6 . 1 1 59 59 ASP N N 59 118.077 118.077 118.816 -0.739 19285 2282 1 6 . 1 1 59 59 ASP HA H 59 4.167 4.167 4.254 -0.087 19285 2283 1 6 . 1 1 59 59 ASP C C 59 179.808 179.808 179.237 0.571 19285 2284 1 6 . 1 1 59 59 ASP CA C 59 57.781 57.781 57.819 -0.038 19285 2285 1 6 . 1 1 59 59 ASP CB C 59 41.399 41.399 39.929 1.470 19285 2286 1 6 . 1 1 59 59 ASP H H 59 7.930 7.930 8.595 -0.665 19285 2287 1 6 . 1 1 60 60 GLU N N 60 117.047 117.047 119.350 -2.303 19285 2288 1 6 . 1 1 60 60 GLU HA H 60 3.967 3.967 4.143 -0.176 19285 2289 1 6 . 1 1 60 60 GLU C C 60 180.287 180.287 178.802 1.485 19285 2290 1 6 . 1 1 60 60 GLU CA C 60 58.326 58.326 58.321 0.005 19285 2291 1 6 . 1 1 60 60 GLU CB C 60 29.925 29.925 29.467 0.458 19285 2292 1 6 . 1 1 60 60 GLU H H 60 7.331 7.331 8.805 -1.474 19285 2293 1 6 . 1 1 61 61 PHE N N 61 124.075 124.075 122.421 1.654 19285 2294 1 6 . 1 1 61 61 PHE HA H 61 4.155 4.155 4.253 -0.098 19285 2295 1 6 . 1 1 61 61 PHE C C 61 176.012 176.012 177.144 -1.132 19285 2296 1 6 . 1 1 61 61 PHE CA C 61 61.100 61.100 61.506 -0.406 19285 2297 1 6 . 1 1 61 61 PHE CB C 61 39.493 39.493 39.164 0.329 19285 2298 1 6 . 1 1 61 61 PHE H H 61 9.079 9.079 8.298 0.781 19285 2299 1 6 . 1 1 62 62 LEU N N 62 119.964 119.964 118.604 1.360 19285 2300 1 6 . 1 1 62 62 LEU HA H 62 3.501 3.501 3.577 -0.076 19285 2301 1 6 . 1 1 62 62 LEU C C 62 179.855 179.855 178.909 0.946 19285 2302 1 6 . 1 1 62 62 LEU CA C 62 58.109 58.109 57.995 0.114 19285 2303 1 6 . 1 1 62 62 LEU CB C 62 40.495 40.495 41.258 -0.763 19285 2304 1 6 . 1 1 62 62 LEU H H 62 8.416 8.416 8.433 -0.017 19285 2305 1 6 . 1 1 63 63 LYS N N 63 121.221 121.221 118.843 2.378 19285 2306 1 6 . 1 1 63 63 LYS HA H 63 4.060 4.060 4.159 -0.099 19285 2307 1 6 . 1 1 63 63 LYS C C 63 178.875 178.875 179.405 -0.530 19285 2308 1 6 . 1 1 63 63 LYS CA C 63 58.288 58.288 59.154 -0.866 19285 2309 1 6 . 1 1 63 63 LYS CB C 63 31.683 31.683 32.325 -0.642 19285 2310 1 6 . 1 1 63 63 LYS H H 63 8.804 8.804 7.287 1.517 19285 2311 1 6 . 1 1 64 64 MET N N 64 119.896 119.896 119.314 0.582 19285 2312 1 6 . 1 1 64 64 MET HA H 64 4.108 4.108 4.054 0.054 19285 2313 1 6 . 1 1 64 64 MET C C 64 178.427 178.427 178.609 -0.182 19285 2314 1 6 . 1 1 64 64 MET CA C 64 58.374 58.374 59.136 -0.762 19285 2315 1 6 . 1 1 64 64 MET CB C 64 32.200 32.200 32.733 -0.533 19285 2316 1 6 . 1 1 64 64 MET H H 64 7.895 7.895 7.937 -0.042 19285 2317 1 6 . 1 1 65 65 MET N N 65 116.299 116.299 116.216 0.083 19285 2318 1 6 . 1 1 65 65 MET HA H 65 4.337 4.337 4.146 0.191 19285 2319 1 6 . 1 1 65 65 MET C C 65 178.184 178.184 178.278 -0.094 19285 2320 1 6 . 1 1 65 65 MET CA C 65 55.118 55.118 55.606 -0.488 19285 2321 1 6 . 1 1 65 65 MET CB C 65 30.790 30.790 30.550 0.240 19285 2322 1 6 . 1 1 65 65 MET H H 65 7.859 7.859 8.126 -0.267 19285 2323 1 6 . 1 1 66 66 GLU N N 66 119.624 119.624 121.641 -2.017 19285 2324 1 6 . 1 1 66 66 GLU HA H 66 4.091 4.091 3.999 0.092 19285 2325 1 6 . 1 1 66 66 GLU C C 66 177.017 177.017 178.532 -1.515 19285 2326 1 6 . 1 1 66 66 GLU CA C 66 58.092 58.092 58.890 -0.798 19285 2327 1 6 . 1 1 66 66 GLU CB C 66 29.619 29.619 29.535 0.084 19285 2328 1 6 . 1 1 66 66 GLU H H 66 7.568 7.568 8.267 -0.699 19285 2329 1 6 . 1 1 67 67 ASN N N 67 116.153 116.153 116.190 -0.037 19285 2330 1 6 . 1 1 67 67 ASN HA H 67 4.776 4.776 4.499 0.277 19285 2331 1 6 . 1 1 67 67 ASN C C 67 175.231 175.231 177.229 -1.998 19285 2332 1 6 . 1 1 67 67 ASN CA C 67 53.440 53.440 55.014 -1.574 19285 2333 1 6 . 1 1 67 67 ASN CB C 67 39.284 39.284 38.726 0.558 19285 2334 1 6 . 1 1 67 67 ASN H H 67 7.819 7.819 7.854 -0.035 19285 2335 1 6 . 1 1 68 68 VAL N N 68 119.217 119.217 118.324 0.893 19285 2336 1 6 . 1 1 68 68 VAL HA H 68 4.147 4.147 3.766 0.381 19285 2337 1 6 . 1 1 68 68 VAL C C 68 175.101 175.101 176.321 -1.220 19285 2338 1 6 . 1 1 68 68 VAL CA C 68 62.576 62.576 64.246 -1.670 19285 2339 1 6 . 1 1 68 68 VAL CB C 68 32.250 32.250 32.001 0.249 19285 2340 1 6 . 1 1 68 68 VAL H H 68 7.641 7.641 7.565 0.076 19285 2341 1 7 . 1 1 2 2 GLU N N 2 122.304 122.304 122.756 -0.452 19285 2342 1 7 . 1 1 2 2 GLU HA H 2 4.059 4.059 4.194 -0.135 19285 2343 1 7 . 1 1 2 2 GLU C C 2 178.560 178.560 178.367 0.193 19285 2344 1 7 . 1 1 2 2 GLU CA C 2 59.898 59.898 59.214 0.684 19285 2345 1 7 . 1 1 2 2 GLU CB C 2 29.215 29.215 29.642 -0.427 19285 2346 1 7 . 1 1 2 2 GLU H H 2 8.881 8.881 8.797 0.084 19285 2347 1 7 . 1 1 3 3 GLU N N 3 120.033 120.033 119.709 0.324 19285 2348 1 7 . 1 1 3 3 GLU HA H 3 4.155 4.155 4.122 0.033 19285 2349 1 7 . 1 1 3 3 GLU C C 3 179.048 179.048 179.067 -0.019 19285 2350 1 7 . 1 1 3 3 GLU CA C 3 59.270 59.270 59.830 -0.560 19285 2351 1 7 . 1 1 3 3 GLU CB C 3 29.343 29.343 29.198 0.145 19285 2352 1 7 . 1 1 3 3 GLU H H 3 8.528 8.528 8.778 -0.250 19285 2353 1 7 . 1 1 4 4 GLU N N 4 120.958 120.958 119.366 1.592 19285 2354 1 7 . 1 1 4 4 GLU HA H 4 4.176 4.176 4.145 0.031 19285 2355 1 7 . 1 1 4 4 GLU C C 4 179.840 179.840 179.097 0.743 19285 2356 1 7 . 1 1 4 4 GLU CA C 4 58.953 58.953 59.225 -0.272 19285 2357 1 7 . 1 1 4 4 GLU CB C 4 29.586 29.586 29.511 0.075 19285 2358 1 7 . 1 1 4 4 GLU H H 4 8.101 8.101 8.451 -0.350 19285 2359 1 7 . 1 1 5 5 LEU N N 5 120.900 120.900 120.341 0.559 19285 2360 1 7 . 1 1 5 5 LEU HA H 5 4.395 4.395 4.274 0.121 19285 2361 1 7 . 1 1 5 5 LEU C C 5 179.432 179.432 179.259 0.173 19285 2362 1 7 . 1 1 5 5 LEU CA C 5 57.940 57.940 57.882 0.058 19285 2363 1 7 . 1 1 5 5 LEU CB C 5 41.647 41.647 41.854 -0.207 19285 2364 1 7 . 1 1 5 5 LEU H H 5 8.570 8.570 8.305 0.265 19285 2365 1 7 . 1 1 6 6 SER N N 6 116.354 116.354 116.553 -0.199 19285 2366 1 7 . 1 1 6 6 SER HA H 6 4.261 4.261 4.428 -0.167 19285 2367 1 7 . 1 1 6 6 SER C C 6 176.745 176.745 176.837 -0.092 19285 2368 1 7 . 1 1 6 6 SER CA C 6 61.992 61.992 62.327 -0.335 19285 2369 1 7 . 1 1 6 6 SER CB C 6 62.341 62.341 62.964 -0.623 19285 2370 1 7 . 1 1 6 6 SER H H 6 8.604 8.604 8.520 0.084 19285 2371 1 7 . 1 1 7 7 GLU N N 7 122.072 122.072 122.204 -0.132 19285 2372 1 7 . 1 1 7 7 GLU HA H 7 4.190 4.190 4.063 0.127 19285 2373 1 7 . 1 1 7 7 GLU C C 7 178.189 178.189 178.976 -0.787 19285 2374 1 7 . 1 1 7 7 GLU CA C 7 58.831 58.831 59.374 -0.543 19285 2375 1 7 . 1 1 7 7 GLU CB C 7 28.965 28.965 29.620 -0.655 19285 2376 1 7 . 1 1 7 7 GLU H H 7 7.720 7.720 7.784 -0.064 19285 2377 1 7 . 1 1 8 8 CYS N N 8 117.904 117.904 117.997 -0.093 19285 2378 1 7 . 1 1 8 8 CYS HA H 8 4.053 4.053 3.688 0.365 19285 2379 1 7 . 1 1 8 8 CYS C C 8 175.681 175.681 176.577 -0.896 19285 2380 1 7 . 1 1 8 8 CYS CA C 8 62.437 62.437 63.441 -1.004 19285 2381 1 7 . 1 1 8 8 CYS CB C 8 26.416 26.416 26.567 -0.151 19285 2382 1 7 . 1 1 8 8 CYS H H 8 8.019 8.019 8.168 -0.149 19285 2383 1 7 . 1 1 9 9 PHE N N 9 119.590 119.590 121.600 -2.010 19285 2384 1 7 . 1 1 9 9 PHE HA H 9 3.351 3.351 3.338 0.013 19285 2385 1 7 . 1 1 9 9 PHE C C 9 175.681 175.681 176.850 -1.169 19285 2386 1 7 . 1 1 9 9 PHE CA C 9 62.181 62.181 61.941 0.240 19285 2387 1 7 . 1 1 9 9 PHE CB C 9 39.277 39.277 38.568 0.709 19285 2388 1 7 . 1 1 9 9 PHE H H 9 8.427 8.427 8.561 -0.134 19285 2389 1 7 . 1 1 10 10 ARG N N 10 114.910 114.910 117.471 -2.561 19285 2390 1 7 . 1 1 10 10 ARG HA H 10 3.953 3.953 3.793 0.160 19285 2391 1 7 . 1 1 10 10 ARG C C 10 178.486 178.486 178.207 0.279 19285 2392 1 7 . 1 1 10 10 ARG CA C 10 58.967 58.967 59.158 -0.191 19285 2393 1 7 . 1 1 10 10 ARG CB C 10 29.948 29.948 30.268 -0.320 19285 2394 1 7 . 1 1 10 10 ARG H H 10 7.558 7.558 7.774 -0.216 19285 2395 1 7 . 1 1 11 11 ILE N N 11 118.349 118.349 118.498 -0.149 19285 2396 1 7 . 1 1 11 11 ILE HA H 11 3.582 3.582 3.711 -0.129 19285 2397 1 7 . 1 1 11 11 ILE C C 11 178.112 178.112 177.500 0.612 19285 2398 1 7 . 1 1 11 11 ILE CA C 11 63.622 63.622 64.335 -0.713 19285 2399 1 7 . 1 1 11 11 ILE CB C 11 37.340 37.340 38.175 -0.835 19285 2400 1 7 . 1 1 11 11 ILE H H 11 7.592 7.592 7.589 0.003 19285 2401 1 7 . 1 1 12 12 PHE N N 12 116.960 116.960 115.700 1.260 19285 2402 1 7 . 1 1 12 12 PHE HA H 12 4.477 4.477 4.284 0.193 19285 2403 1 7 . 1 1 12 12 PHE C C 12 176.714 176.714 176.744 -0.030 19285 2404 1 7 . 1 1 12 12 PHE CA C 12 58.669 58.669 56.741 1.928 19285 2405 1 7 . 1 1 12 12 PHE CB C 12 39.165 39.165 38.708 0.457 19285 2406 1 7 . 1 1 12 12 PHE H H 12 7.554 7.554 7.797 -0.243 19285 2407 1 7 . 1 1 13 13 ASP N N 13 119.667 119.667 119.276 0.391 19285 2408 1 7 . 1 1 13 13 ASP HA H 13 4.474 4.474 4.749 -0.275 19285 2409 1 7 . 1 1 13 13 ASP C C 13 176.772 176.772 176.310 0.462 19285 2410 1 7 . 1 1 13 13 ASP CA C 13 52.106 52.106 52.782 -0.676 19285 2411 1 7 . 1 1 13 13 ASP CB C 13 37.794 37.794 38.821 -1.027 19285 2412 1 7 . 1 1 13 13 ASP H H 13 7.725 7.725 7.804 -0.079 19285 2413 1 7 . 1 1 14 14 LYS N N 14 125.111 125.111 122.580 2.531 19285 2414 1 7 . 1 1 14 14 LYS HA H 14 3.933 3.933 4.031 -0.098 19285 2415 1 7 . 1 1 14 14 LYS C C 14 178.180 178.180 177.970 0.210 19285 2416 1 7 . 1 1 14 14 LYS CA C 14 59.277 59.277 58.334 0.943 19285 2417 1 7 . 1 1 14 14 LYS CB C 14 32.988 32.988 32.531 0.457 19285 2418 1 7 . 1 1 14 14 LYS H H 14 7.577 7.577 7.985 -0.408 19285 2419 1 7 . 1 1 15 15 ASP N N 15 114.010 114.010 117.680 -3.670 19285 2420 1 7 . 1 1 15 15 ASP HA H 15 4.588 4.588 4.468 0.120 19285 2421 1 7 . 1 1 15 15 ASP C C 15 177.680 177.680 177.238 0.442 19285 2422 1 7 . 1 1 15 15 ASP CA C 15 52.565 52.565 55.447 -2.882 19285 2423 1 7 . 1 1 15 15 ASP CB C 15 39.322 39.322 41.248 -1.926 19285 2424 1 7 . 1 1 15 15 ASP H H 15 8.032 8.032 8.539 -0.507 19285 2425 1 7 . 1 1 16 16 GLY N N 16 109.187 109.187 106.270 2.917 19285 2426 1 7 . 1 1 16 16 GLY C C 16 175.043 175.043 174.785 0.258 19285 2427 1 7 . 1 1 16 16 GLY CA C 16 47.001 47.001 45.173 1.828 19285 2428 1 7 . 1 1 16 16 GLY H H 16 7.713 7.713 8.274 -0.561 19285 2429 1 7 . 1 1 17 17 ASN N N 17 118.569 118.569 118.748 -0.179 19285 2430 1 7 . 1 1 17 17 ASN HA H 17 4.600 4.600 4.603 -0.003 19285 2431 1 7 . 1 1 17 17 ASN C C 17 176.026 176.026 175.912 0.114 19285 2432 1 7 . 1 1 17 17 ASN CA C 17 52.265 52.265 52.671 -0.406 19285 2433 1 7 . 1 1 17 17 ASN CB C 17 37.340 37.340 38.587 -1.247 19285 2434 1 7 . 1 1 17 17 ASN H H 17 8.118 8.118 8.104 0.014 19285 2435 1 7 . 1 1 18 18 GLY N N 18 112.477 112.477 107.981 4.496 19285 2436 1 7 . 1 1 18 18 GLY C C 18 172.479 172.479 173.342 -0.863 19285 2437 1 7 . 1 1 18 18 GLY CA C 18 45.110 45.110 45.284 -0.174 19285 2438 1 7 . 1 1 18 18 GLY H H 18 10.596 10.596 8.594 2.002 19285 2439 1 7 . 1 1 19 19 PHE N N 19 113.792 113.792 112.551 1.241 19285 2440 1 7 . 1 1 19 19 PHE HA H 19 5.291 5.291 5.214 0.077 19285 2441 1 7 . 1 1 19 19 PHE C C 19 173.646 173.646 172.978 0.668 19285 2442 1 7 . 1 1 19 19 PHE CA C 19 55.516 55.516 56.543 -1.027 19285 2443 1 7 . 1 1 19 19 PHE CB C 19 43.196 43.196 40.465 2.731 19285 2444 1 7 . 1 1 19 19 PHE H H 19 7.500 7.500 7.806 -0.306 19285 2445 1 7 . 1 1 20 20 ILE N N 20 126.629 126.629 121.798 4.831 19285 2446 1 7 . 1 1 20 20 ILE HA H 20 5.051 5.051 4.810 0.241 19285 2447 1 7 . 1 1 20 20 ILE C C 20 175.764 175.764 176.090 -0.326 19285 2448 1 7 . 1 1 20 20 ILE CA C 20 58.933 58.933 59.685 -0.752 19285 2449 1 7 . 1 1 20 20 ILE CB C 20 37.846 37.846 37.330 0.516 19285 2450 1 7 . 1 1 20 20 ILE H H 20 9.988 9.988 9.069 0.919 19285 2451 1 7 . 1 1 21 21 ASP N N 21 129.797 129.797 128.311 1.486 19285 2452 1 7 . 1 1 21 21 ASP HA H 21 5.124 5.124 5.183 -0.059 19285 2453 1 7 . 1 1 21 21 ASP C C 21 175.686 175.686 177.313 -1.627 19285 2454 1 7 . 1 1 21 21 ASP CA C 21 52.214 52.214 53.313 -1.099 19285 2455 1 7 . 1 1 21 21 ASP CB C 21 41.907 41.907 43.716 -1.809 19285 2456 1 7 . 1 1 21 21 ASP H H 21 9.322 9.322 9.084 0.238 19285 2457 1 7 . 1 1 22 22 ARG N N 22 118.041 118.041 122.853 -4.812 19285 2458 1 7 . 1 1 22 22 ARG HA H 22 3.359 3.359 3.034 0.325 19285 2459 1 7 . 1 1 22 22 ARG C C 22 178.803 178.803 178.030 0.773 19285 2460 1 7 . 1 1 22 22 ARG CA C 22 58.193 58.193 60.017 -1.824 19285 2461 1 7 . 1 1 22 22 ARG CB C 22 28.264 28.264 29.770 -1.506 19285 2462 1 7 . 1 1 22 22 ARG H H 22 8.564 8.564 8.829 -0.265 19285 2463 1 7 . 1 1 23 23 GLU N N 23 122.771 122.771 118.439 4.332 19285 2464 1 7 . 1 1 23 23 GLU HA H 23 4.108 4.108 3.976 0.132 19285 2465 1 7 . 1 1 23 23 GLU C C 23 180.100 180.100 178.561 1.539 19285 2466 1 7 . 1 1 23 23 GLU CA C 23 59.392 59.392 59.777 -0.385 19285 2467 1 7 . 1 1 23 23 GLU CB C 23 28.950 28.950 28.755 0.195 19285 2468 1 7 . 1 1 23 23 GLU H H 23 8.309 8.309 8.662 -0.353 19285 2469 1 7 . 1 1 24 24 GLU N N 24 122.272 122.272 119.724 2.548 19285 2470 1 7 . 1 1 24 24 GLU HA H 24 4.179 4.179 4.061 0.118 19285 2471 1 7 . 1 1 24 24 GLU C C 24 179.466 179.466 178.802 0.664 19285 2472 1 7 . 1 1 24 24 GLU CA C 24 58.237 58.237 58.985 -0.748 19285 2473 1 7 . 1 1 24 24 GLU CB C 24 30.455 30.455 29.500 0.955 19285 2474 1 7 . 1 1 24 24 GLU H H 24 9.062 9.062 8.313 0.749 19285 2475 1 7 . 1 1 25 25 PHE N N 25 118.985 118.985 121.149 -2.164 19285 2476 1 7 . 1 1 25 25 PHE HA H 25 4.050 4.050 4.271 -0.221 19285 2477 1 7 . 1 1 25 25 PHE C C 25 176.876 176.876 177.125 -0.249 19285 2478 1 7 . 1 1 25 25 PHE CA C 25 60.766 60.766 60.696 0.070 19285 2479 1 7 . 1 1 25 25 PHE CB C 25 40.514 40.514 39.082 1.432 19285 2480 1 7 . 1 1 25 25 PHE H H 25 8.931 8.931 8.605 0.326 19285 2481 1 7 . 1 1 26 26 GLY N N 26 103.509 103.509 107.312 -3.803 19285 2482 1 7 . 1 1 26 26 GLY C C 26 175.475 175.475 175.747 -0.272 19285 2483 1 7 . 1 1 26 26 GLY CA C 26 47.163 47.163 47.441 -0.278 19285 2484 1 7 . 1 1 26 26 GLY H H 26 7.891 7.891 8.443 -0.552 19285 2485 1 7 . 1 1 27 27 ASP N N 27 119.470 119.470 122.510 -3.040 19285 2486 1 7 . 1 1 27 27 ASP HA H 27 4.545 4.545 4.399 0.146 19285 2487 1 7 . 1 1 27 27 ASP C C 27 177.555 177.555 178.595 -1.040 19285 2488 1 7 . 1 1 27 27 ASP CA C 27 56.657 56.657 56.829 -0.172 19285 2489 1 7 . 1 1 27 27 ASP CB C 27 40.521 40.521 40.392 0.129 19285 2490 1 7 . 1 1 27 27 ASP H H 27 7.492 7.492 7.635 -0.143 19285 2491 1 7 . 1 1 28 28 ILE N N 28 119.005 119.005 120.709 -1.704 19285 2492 1 7 . 1 1 28 28 ILE HA H 28 3.222 3.222 3.146 0.076 19285 2493 1 7 . 1 1 28 28 ILE C C 28 178.112 178.112 177.583 0.529 19285 2494 1 7 . 1 1 28 28 ILE CA C 28 63.693 63.693 65.101 -1.408 19285 2495 1 7 . 1 1 28 28 ILE CB C 28 36.967 36.967 37.609 -0.642 19285 2496 1 7 . 1 1 28 28 ILE H H 28 7.290 7.290 7.537 -0.247 19285 2497 1 7 . 1 1 29 29 ILE N N 29 118.036 118.036 119.626 -1.590 19285 2498 1 7 . 1 1 29 29 ILE HA H 29 3.792 3.792 3.576 0.216 19285 2499 1 7 . 1 1 29 29 ILE C C 29 178.396 178.396 178.596 -0.200 19285 2500 1 7 . 1 1 29 29 ILE CA C 29 61.114 61.114 64.829 -3.715 19285 2501 1 7 . 1 1 29 29 ILE CB C 29 36.103 36.103 37.480 -1.377 19285 2502 1 7 . 1 1 29 29 ILE H H 29 7.217 7.217 7.629 -0.412 19285 2503 1 7 . 1 1 30 30 ARG N N 30 120.280 120.280 118.301 1.979 19285 2504 1 7 . 1 1 30 30 ARG HA H 30 4.165 4.165 3.974 0.191 19285 2505 1 7 . 1 1 30 30 ARG C C 30 178.243 178.243 177.887 0.356 19285 2506 1 7 . 1 1 30 30 ARG CA C 30 58.528 58.528 58.842 -0.314 19285 2507 1 7 . 1 1 30 30 ARG CB C 30 29.873 29.873 30.093 -0.220 19285 2508 1 7 . 1 1 30 30 ARG H H 30 7.748 7.748 7.979 -0.231 19285 2509 1 7 . 1 1 31 31 LEU N N 31 119.077 119.077 118.733 0.344 19285 2510 1 7 . 1 1 31 31 LEU HA H 31 4.211 4.211 4.253 -0.042 19285 2511 1 7 . 1 1 31 31 LEU C C 31 178.573 178.573 177.943 0.630 19285 2512 1 7 . 1 1 31 31 LEU CA C 31 56.866 56.866 57.316 -0.450 19285 2513 1 7 . 1 1 31 31 LEU CB C 31 41.900 41.900 43.029 -1.129 19285 2514 1 7 . 1 1 31 31 LEU H H 31 7.614 7.614 7.671 -0.057 19285 2515 1 7 . 1 1 32 32 THR N N 32 108.038 108.038 105.577 2.461 19285 2516 1 7 . 1 1 32 32 THR HA H 32 4.346 4.346 4.498 -0.152 19285 2517 1 7 . 1 1 32 32 THR C C 32 175.796 175.796 175.838 -0.042 19285 2518 1 7 . 1 1 32 32 THR CA C 32 62.532 62.532 62.111 0.421 19285 2519 1 7 . 1 1 32 32 THR CB C 32 70.251 70.251 70.550 -0.299 19285 2520 1 7 . 1 1 32 32 THR H H 32 7.652 7.652 8.009 -0.357 19285 2521 1 7 . 1 1 33 33 GLY N N 33 109.261 109.261 110.892 -1.631 19285 2522 1 7 . 1 1 33 33 GLY C C 33 174.020 174.020 174.466 -0.446 19285 2523 1 7 . 1 1 33 33 GLY CA C 33 45.617 45.617 44.320 1.297 19285 2524 1 7 . 1 1 33 33 GLY H H 33 7.812 7.812 7.952 -0.140 19285 2525 1 7 . 1 1 34 34 GLU N N 34 120.265 120.265 121.477 -1.212 19285 2526 1 7 . 1 1 34 34 GLU HA H 34 4.264 4.264 4.002 0.262 19285 2527 1 7 . 1 1 34 34 GLU C C 34 176.124 176.124 177.589 -1.465 19285 2528 1 7 . 1 1 34 34 GLU CA C 34 56.198 56.198 58.850 -2.652 19285 2529 1 7 . 1 1 34 34 GLU CB C 34 30.221 30.221 29.461 0.760 19285 2530 1 7 . 1 1 34 34 GLU H H 34 7.857 7.857 7.712 0.145 19285 2531 1 7 . 1 1 35 35 GLN N N 35 122.159 122.159 115.852 6.307 19285 2532 1 7 . 1 1 35 35 GLN HA H 35 4.319 4.319 4.154 0.165 19285 2533 1 7 . 1 1 35 35 GLN C C 35 174.957 174.957 176.656 -1.699 19285 2534 1 7 . 1 1 35 35 GLN CA C 35 55.489 55.489 56.414 -0.925 19285 2535 1 7 . 1 1 35 35 GLN CB C 35 27.772 27.772 29.338 -1.566 19285 2536 1 7 . 1 1 35 35 GLN H H 35 8.683 8.683 8.145 0.538 19285 2537 1 7 . 1 1 36 36 LEU N N 36 124.703 124.703 119.394 5.309 19285 2538 1 7 . 1 1 36 36 LEU HA H 36 4.764 4.764 4.530 0.234 19285 2539 1 7 . 1 1 36 36 LEU C C 36 177.647 177.647 176.833 0.814 19285 2540 1 7 . 1 1 36 36 LEU CA C 36 53.868 53.868 53.944 -0.076 19285 2541 1 7 . 1 1 36 36 LEU CB C 36 44.448 44.448 43.562 0.886 19285 2542 1 7 . 1 1 36 36 LEU H H 36 7.790 7.790 7.372 0.418 19285 2543 1 7 . 1 1 37 37 THR N N 37 114.475 114.475 111.608 2.867 19285 2544 1 7 . 1 1 37 37 THR HA H 37 4.485 4.485 4.515 -0.030 19285 2545 1 7 . 1 1 37 37 THR C C 37 175.339 175.339 175.166 0.173 19285 2546 1 7 . 1 1 37 37 THR CA C 37 60.591 60.591 60.076 0.515 19285 2547 1 7 . 1 1 37 37 THR CB C 37 71.227 71.227 70.761 0.466 19285 2548 1 7 . 1 1 37 37 THR H H 37 9.146 9.146 8.901 0.245 19285 2549 1 7 . 1 1 38 38 ASP N N 38 120.839 120.839 119.483 1.356 19285 2550 1 7 . 1 1 38 38 ASP HA H 38 4.255 4.255 4.426 -0.171 19285 2551 1 7 . 1 1 38 38 ASP C C 38 177.870 177.870 178.253 -0.383 19285 2552 1 7 . 1 1 38 38 ASP CA C 38 57.889 57.889 56.823 1.066 19285 2553 1 7 . 1 1 38 38 ASP CB C 38 39.895 39.895 40.484 -0.589 19285 2554 1 7 . 1 1 38 38 ASP H H 38 8.857 8.857 8.716 0.141 19285 2555 1 7 . 1 1 39 39 GLU N N 39 118.596 118.596 119.186 -0.590 19285 2556 1 7 . 1 1 39 39 GLU HA H 39 4.120 4.120 4.119 0.001 19285 2557 1 7 . 1 1 39 39 GLU C C 39 179.052 179.052 178.047 1.005 19285 2558 1 7 . 1 1 39 39 GLU CA C 39 59.662 59.662 58.743 0.919 19285 2559 1 7 . 1 1 39 39 GLU CB C 39 28.823 28.823 29.604 -0.781 19285 2560 1 7 . 1 1 39 39 GLU H H 39 8.389 8.389 7.942 0.447 19285 2561 1 7 . 1 1 40 40 ASP N N 40 121.412 121.412 119.855 1.557 19285 2562 1 7 . 1 1 40 40 ASP HA H 40 4.460 4.460 4.510 -0.050 19285 2563 1 7 . 1 1 40 40 ASP C C 40 179.307 179.307 178.584 0.723 19285 2564 1 7 . 1 1 40 40 ASP CA C 40 57.164 57.164 56.927 0.237 19285 2565 1 7 . 1 1 40 40 ASP CB C 40 41.229 41.229 40.417 0.812 19285 2566 1 7 . 1 1 40 40 ASP H H 40 7.768 7.768 7.929 -0.161 19285 2567 1 7 . 1 1 41 41 VAL N N 41 121.053 121.053 119.937 1.116 19285 2568 1 7 . 1 1 41 41 VAL HA H 41 3.605 3.605 3.752 -0.147 19285 2569 1 7 . 1 1 41 41 VAL C C 41 177.685 177.685 177.678 0.007 19285 2570 1 7 . 1 1 41 41 VAL CA C 41 67.286 67.286 67.168 0.118 19285 2571 1 7 . 1 1 41 41 VAL CB C 41 31.498 31.498 31.696 -0.198 19285 2572 1 7 . 1 1 41 41 VAL H H 41 8.215 8.215 7.316 0.898 19285 2573 1 7 . 1 1 42 42 ASP N N 42 120.507 120.507 119.112 1.395 19285 2574 1 7 . 1 1 42 42 ASP HA H 42 4.213 4.213 4.560 -0.347 19285 2575 1 7 . 1 1 42 42 ASP C C 42 179.444 179.444 179.072 0.372 19285 2576 1 7 . 1 1 42 42 ASP CA C 42 57.744 57.744 57.492 0.252 19285 2577 1 7 . 1 1 42 42 ASP CB C 42 40.082 40.082 40.247 -0.165 19285 2578 1 7 . 1 1 42 42 ASP H H 42 8.527 8.527 8.140 0.387 19285 2579 1 7 . 1 1 43 43 GLU N N 43 121.091 121.091 120.307 0.784 19285 2580 1 7 . 1 1 43 43 GLU HA H 43 4.119 4.119 4.134 -0.015 19285 2581 1 7 . 1 1 43 43 GLU C C 43 178.328 178.328 179.331 -1.003 19285 2582 1 7 . 1 1 43 43 GLU CA C 43 59.264 59.264 59.505 -0.241 19285 2583 1 7 . 1 1 43 43 GLU CB C 43 29.277 29.277 29.913 -0.636 19285 2584 1 7 . 1 1 43 43 GLU H H 43 7.758 7.758 7.554 0.204 19285 2585 1 7 . 1 1 44 44 ILE N N 44 120.248 120.248 120.355 -0.107 19285 2586 1 7 . 1 1 44 44 ILE HA H 44 3.957 3.957 3.839 0.118 19285 2587 1 7 . 1 1 44 44 ILE C C 44 179.412 179.412 177.848 1.564 19285 2588 1 7 . 1 1 44 44 ILE CA C 44 64.747 64.747 64.922 -0.175 19285 2589 1 7 . 1 1 44 44 ILE CB C 44 38.919 38.919 38.267 0.652 19285 2590 1 7 . 1 1 44 44 ILE H H 44 7.934 7.934 8.428 -0.494 19285 2591 1 7 . 1 1 45 45 PHE N N 45 124.028 124.028 120.915 3.113 19285 2592 1 7 . 1 1 45 45 PHE HA H 45 3.126 3.126 3.497 -0.371 19285 2593 1 7 . 1 1 45 45 PHE C C 45 176.732 176.732 177.381 -0.649 19285 2594 1 7 . 1 1 45 45 PHE CA C 45 62.039 62.039 61.836 0.203 19285 2595 1 7 . 1 1 45 45 PHE CB C 45 38.562 38.562 38.690 -0.128 19285 2596 1 7 . 1 1 45 45 PHE H H 45 9.019 9.019 8.582 0.437 19285 2597 1 7 . 1 1 46 46 GLY N N 46 104.229 104.229 105.972 -1.743 19285 2598 1 7 . 1 1 46 46 GLY C C 46 176.365 176.365 175.231 1.134 19285 2599 1 7 . 1 1 46 46 GLY CA C 46 47.055 47.055 46.799 0.256 19285 2600 1 7 . 1 1 46 46 GLY H H 46 8.219 8.219 8.016 0.203 19285 2601 1 7 . 1 1 47 47 ASP N N 47 119.686 119.686 119.966 -0.280 19285 2602 1 7 . 1 1 47 47 ASP HA H 47 4.343 4.343 4.481 -0.138 19285 2603 1 7 . 1 1 47 47 ASP C C 47 178.101 178.101 177.516 0.585 19285 2604 1 7 . 1 1 47 47 ASP CA C 47 56.235 56.235 56.031 0.204 19285 2605 1 7 . 1 1 47 47 ASP CB C 47 40.558 40.558 40.771 -0.213 19285 2606 1 7 . 1 1 47 47 ASP H H 47 8.106 8.106 7.612 0.494 19285 2607 1 7 . 1 1 48 48 SER N N 48 113.923 113.923 112.628 1.295 19285 2608 1 7 . 1 1 48 48 SER HA H 48 4.281 4.281 4.258 0.023 19285 2609 1 7 . 1 1 48 48 SER C C 48 173.432 173.432 174.300 -0.868 19285 2610 1 7 . 1 1 48 48 SER CA C 48 59.878 59.878 60.374 -0.496 19285 2611 1 7 . 1 1 48 48 SER CB C 48 63.709 63.709 63.650 0.059 19285 2612 1 7 . 1 1 48 48 SER H H 48 7.567 7.567 7.845 -0.278 19285 2613 1 7 . 1 1 49 49 ASP N N 49 121.595 121.595 121.760 -0.165 19285 2614 1 7 . 1 1 49 49 ASP HA H 49 4.424 4.424 4.636 -0.212 19285 2615 1 7 . 1 1 49 49 ASP C C 49 177.055 177.055 176.738 0.317 19285 2616 1 7 . 1 1 49 49 ASP CA C 49 51.836 51.836 53.185 -1.349 19285 2617 1 7 . 1 1 49 49 ASP CB C 49 38.427 38.427 39.397 -0.970 19285 2618 1 7 . 1 1 49 49 ASP H H 49 7.323 7.323 7.551 -0.228 19285 2619 1 7 . 1 1 50 50 THR N N 50 119.204 119.204 115.525 3.679 19285 2620 1 7 . 1 1 50 50 THR HA H 50 3.863 3.863 4.196 -0.333 19285 2621 1 7 . 1 1 50 50 THR C C 50 176.041 176.041 175.802 0.239 19285 2622 1 7 . 1 1 50 50 THR CA C 50 65.351 65.351 63.801 1.550 19285 2623 1 7 . 1 1 50 50 THR CB C 50 68.597 68.597 69.148 -0.551 19285 2624 1 7 . 1 1 50 50 THR H H 50 7.841 7.841 8.100 -0.259 19285 2625 1 7 . 1 1 51 51 ASP N N 51 117.233 117.233 120.975 -3.742 19285 2626 1 7 . 1 1 51 51 ASP HA H 51 4.607 4.607 4.677 -0.070 19285 2627 1 7 . 1 1 51 51 ASP C C 51 175.994 175.994 175.184 0.810 19285 2628 1 7 . 1 1 51 51 ASP CA C 51 52.795 52.795 54.516 -1.721 19285 2629 1 7 . 1 1 51 51 ASP CB C 51 39.098 39.098 40.711 -1.613 19285 2630 1 7 . 1 1 51 51 ASP H H 51 7.972 7.972 8.252 -0.280 19285 2631 1 7 . 1 1 52 52 LYS N N 52 113.938 113.938 115.499 -1.561 19285 2632 1 7 . 1 1 52 52 LYS HA H 52 3.961 3.961 4.009 -0.048 19285 2633 1 7 . 1 1 52 52 LYS C C 52 176.126 176.126 175.626 0.500 19285 2634 1 7 . 1 1 52 52 LYS CA C 52 56.238 56.238 57.152 -0.914 19285 2635 1 7 . 1 1 52 52 LYS CB C 52 28.711 28.711 29.480 -0.769 19285 2636 1 7 . 1 1 52 52 LYS H H 52 7.729 7.729 7.813 -0.084 19285 2637 1 7 . 1 1 53 53 ASN N N 53 117.127 117.127 116.588 0.539 19285 2638 1 7 . 1 1 53 53 ASN HA H 53 4.764 4.764 4.737 0.027 19285 2639 1 7 . 1 1 53 53 ASN C C 53 177.056 177.056 175.813 1.243 19285 2640 1 7 . 1 1 53 53 ASN CA C 53 51.626 51.626 52.467 -0.841 19285 2641 1 7 . 1 1 53 53 ASN CB C 53 37.742 37.742 39.057 -1.315 19285 2642 1 7 . 1 1 53 53 ASN H H 53 8.193 8.193 8.380 -0.187 19285 2643 1 7 . 1 1 54 54 GLY N N 54 113.327 113.327 109.287 4.040 19285 2644 1 7 . 1 1 54 54 GLY C C 54 172.983 172.983 172.911 0.072 19285 2645 1 7 . 1 1 54 54 GLY CA C 54 45.671 45.671 45.670 0.001 19285 2646 1 7 . 1 1 54 54 GLY H H 54 10.782 10.782 8.826 1.956 19285 2647 1 7 . 1 1 55 55 ARG N N 55 115.634 115.634 115.433 0.201 19285 2648 1 7 . 1 1 55 55 ARG HA H 55 4.826 4.826 4.902 -0.076 19285 2649 1 7 . 1 1 55 55 ARG C C 55 173.745 173.745 173.991 -0.246 19285 2650 1 7 . 1 1 55 55 ARG CA C 55 54.044 54.044 54.842 -0.798 19285 2651 1 7 . 1 1 55 55 ARG CB C 55 33.457 33.457 32.581 0.876 19285 2652 1 7 . 1 1 55 55 ARG H H 55 7.501 7.501 8.147 -0.646 19285 2653 1 7 . 1 1 56 56 ILE N N 56 127.446 127.446 122.331 5.115 19285 2654 1 7 . 1 1 56 56 ILE HA H 56 5.127 5.127 4.776 0.351 19285 2655 1 7 . 1 1 56 56 ILE C C 56 175.886 175.886 175.176 0.710 19285 2656 1 7 . 1 1 56 56 ILE CA C 56 58.892 58.892 60.498 -1.606 19285 2657 1 7 . 1 1 56 56 ILE CB C 56 36.907 36.907 39.359 -2.452 19285 2658 1 7 . 1 1 56 56 ILE H H 56 9.592 9.592 8.957 0.635 19285 2659 1 7 . 1 1 57 57 ASP N N 57 129.499 129.499 128.150 1.349 19285 2660 1 7 . 1 1 57 57 ASP HA H 57 5.185 5.185 4.983 0.202 19285 2661 1 7 . 1 1 57 57 ASP C C 57 175.630 175.630 177.059 -1.429 19285 2662 1 7 . 1 1 57 57 ASP CA C 57 52.329 52.329 53.219 -0.890 19285 2663 1 7 . 1 1 57 57 ASP CB C 57 42.175 42.175 43.169 -0.994 19285 2664 1 7 . 1 1 57 57 ASP H H 57 9.267 9.267 8.958 0.309 19285 2665 1 7 . 1 1 58 58 PHE N N 58 118.391 118.391 121.436 -3.045 19285 2666 1 7 . 1 1 58 58 PHE HA H 58 3.761 3.761 3.712 0.049 19285 2667 1 7 . 1 1 58 58 PHE C C 58 176.306 176.306 176.541 -0.235 19285 2668 1 7 . 1 1 58 58 PHE CA C 58 61.806 61.806 62.107 -0.301 19285 2669 1 7 . 1 1 58 58 PHE CB C 58 38.539 38.539 38.883 -0.344 19285 2670 1 7 . 1 1 58 58 PHE H H 58 8.799 8.799 9.058 -0.259 19285 2671 1 7 . 1 1 59 59 ASP N N 59 118.077 118.077 116.767 1.310 19285 2672 1 7 . 1 1 59 59 ASP HA H 59 4.167 4.167 4.270 -0.103 19285 2673 1 7 . 1 1 59 59 ASP C C 59 179.808 179.808 178.888 0.920 19285 2674 1 7 . 1 1 59 59 ASP CA C 59 57.781 57.781 57.914 -0.133 19285 2675 1 7 . 1 1 59 59 ASP CB C 59 41.399 41.399 39.786 1.613 19285 2676 1 7 . 1 1 59 59 ASP H H 59 7.930 7.930 8.733 -0.803 19285 2677 1 7 . 1 1 60 60 GLU N N 60 117.047 117.047 119.889 -2.842 19285 2678 1 7 . 1 1 60 60 GLU HA H 60 3.967 3.967 4.079 -0.112 19285 2679 1 7 . 1 1 60 60 GLU C C 60 180.287 180.287 178.640 1.647 19285 2680 1 7 . 1 1 60 60 GLU CA C 60 58.326 58.326 58.825 -0.499 19285 2681 1 7 . 1 1 60 60 GLU CB C 60 29.925 29.925 29.537 0.388 19285 2682 1 7 . 1 1 60 60 GLU H H 60 7.331 7.331 8.206 -0.875 19285 2683 1 7 . 1 1 61 61 PHE N N 61 124.075 124.075 121.956 2.119 19285 2684 1 7 . 1 1 61 61 PHE HA H 61 4.155 4.155 4.247 -0.092 19285 2685 1 7 . 1 1 61 61 PHE C C 61 176.012 176.012 176.931 -0.919 19285 2686 1 7 . 1 1 61 61 PHE CA C 61 61.100 61.100 61.553 -0.454 19285 2687 1 7 . 1 1 61 61 PHE CB C 61 39.493 39.493 39.321 0.172 19285 2688 1 7 . 1 1 61 61 PHE H H 61 9.079 9.079 8.470 0.609 19285 2689 1 7 . 1 1 62 62 LEU N N 62 119.964 119.964 119.172 0.792 19285 2690 1 7 . 1 1 62 62 LEU HA H 62 3.501 3.501 3.771 -0.270 19285 2691 1 7 . 1 1 62 62 LEU C C 62 179.855 179.855 178.744 1.111 19285 2692 1 7 . 1 1 62 62 LEU CA C 62 58.109 58.109 57.918 0.191 19285 2693 1 7 . 1 1 62 62 LEU CB C 62 40.495 40.495 41.165 -0.670 19285 2694 1 7 . 1 1 62 62 LEU H H 62 8.416 8.416 8.161 0.255 19285 2695 1 7 . 1 1 63 63 LYS N N 63 121.221 121.221 117.035 4.186 19285 2696 1 7 . 1 1 63 63 LYS HA H 63 4.060 4.060 4.065 -0.005 19285 2697 1 7 . 1 1 63 63 LYS C C 63 178.875 178.875 178.952 -0.077 19285 2698 1 7 . 1 1 63 63 LYS CA C 63 58.288 58.288 58.585 -0.297 19285 2699 1 7 . 1 1 63 63 LYS CB C 63 31.683 31.683 32.409 -0.726 19285 2700 1 7 . 1 1 63 63 LYS H H 63 8.804 8.804 7.287 1.517 19285 2701 1 7 . 1 1 64 64 MET N N 64 119.896 119.896 121.102 -1.206 19285 2702 1 7 . 1 1 64 64 MET HA H 64 4.108 4.108 4.147 -0.039 19285 2703 1 7 . 1 1 64 64 MET C C 64 178.427 178.427 177.323 1.104 19285 2704 1 7 . 1 1 64 64 MET CA C 64 58.374 58.374 58.004 0.370 19285 2705 1 7 . 1 1 64 64 MET CB C 64 32.200 32.200 32.553 -0.353 19285 2706 1 7 . 1 1 64 64 MET H H 64 7.895 7.895 8.052 -0.157 19285 2707 1 7 . 1 1 65 65 MET N N 65 116.299 116.299 115.596 0.703 19285 2708 1 7 . 1 1 65 65 MET HA H 65 4.337 4.337 4.348 -0.011 19285 2709 1 7 . 1 1 65 65 MET C C 65 178.184 178.184 177.296 0.888 19285 2710 1 7 . 1 1 65 65 MET CA C 65 55.118 55.118 56.021 -0.903 19285 2711 1 7 . 1 1 65 65 MET CB C 65 30.790 30.790 31.367 -0.577 19285 2712 1 7 . 1 1 65 65 MET H H 65 7.859 7.859 7.732 0.127 19285 2713 1 7 . 1 1 66 66 GLU N N 66 119.624 119.624 117.412 2.212 19285 2714 1 7 . 1 1 66 66 GLU HA H 66 4.091 4.091 4.085 0.006 19285 2715 1 7 . 1 1 66 66 GLU C C 66 177.017 177.017 177.548 -0.531 19285 2716 1 7 . 1 1 66 66 GLU CA C 66 58.092 58.092 58.227 -0.135 19285 2717 1 7 . 1 1 66 66 GLU CB C 66 29.619 29.619 29.502 0.117 19285 2718 1 7 . 1 1 66 66 GLU H H 66 7.568 7.568 7.733 -0.165 19285 2719 1 7 . 1 1 67 67 ASN N N 67 116.153 116.153 115.504 0.649 19285 2720 1 7 . 1 1 67 67 ASN HA H 67 4.776 4.776 4.785 -0.009 19285 2721 1 7 . 1 1 67 67 ASN C C 67 175.231 175.231 175.080 0.151 19285 2722 1 7 . 1 1 67 67 ASN CA C 67 53.440 53.440 53.933 -0.493 19285 2723 1 7 . 1 1 67 67 ASN CB C 67 39.284 39.284 40.074 -0.790 19285 2724 1 7 . 1 1 67 67 ASN H H 67 7.819 7.819 7.719 0.100 19285 2725 1 7 . 1 1 68 68 VAL N N 68 119.217 119.217 120.374 -1.157 19285 2726 1 7 . 1 1 68 68 VAL HA H 68 4.147 4.147 4.229 -0.082 19285 2727 1 7 . 1 1 68 68 VAL C C 68 175.101 175.101 174.500 0.601 19285 2728 1 7 . 1 1 68 68 VAL CA C 68 62.576 62.576 60.990 1.586 19285 2729 1 7 . 1 1 68 68 VAL CB C 68 32.250 32.250 33.041 -0.791 19285 2730 1 7 . 1 1 68 68 VAL H H 68 7.641 7.641 8.059 -0.418 19285 2731 1 8 . 1 1 2 2 GLU N N 2 122.304 122.304 123.488 -1.184 19285 2732 1 8 . 1 1 2 2 GLU HA H 2 4.059 4.059 4.033 0.026 19285 2733 1 8 . 1 1 2 2 GLU C C 2 178.560 178.560 178.443 0.117 19285 2734 1 8 . 1 1 2 2 GLU CA C 2 59.898 59.898 59.737 0.161 19285 2735 1 8 . 1 1 2 2 GLU CB C 2 29.215 29.215 29.202 0.013 19285 2736 1 8 . 1 1 2 2 GLU H H 2 8.881 8.881 8.932 -0.051 19285 2737 1 8 . 1 1 3 3 GLU N N 3 120.033 120.033 119.621 0.412 19285 2738 1 8 . 1 1 3 3 GLU HA H 3 4.155 4.155 4.061 0.094 19285 2739 1 8 . 1 1 3 3 GLU C C 3 179.048 179.048 178.951 0.097 19285 2740 1 8 . 1 1 3 3 GLU CA C 3 59.270 59.270 59.669 -0.399 19285 2741 1 8 . 1 1 3 3 GLU CB C 3 29.343 29.343 29.479 -0.136 19285 2742 1 8 . 1 1 3 3 GLU H H 3 8.528 8.528 8.757 -0.229 19285 2743 1 8 . 1 1 4 4 GLU N N 4 120.958 120.958 118.670 2.288 19285 2744 1 8 . 1 1 4 4 GLU HA H 4 4.176 4.176 4.246 -0.070 19285 2745 1 8 . 1 1 4 4 GLU C C 4 179.840 179.840 179.110 0.730 19285 2746 1 8 . 1 1 4 4 GLU CA C 4 58.953 58.953 58.366 0.587 19285 2747 1 8 . 1 1 4 4 GLU CB C 4 29.586 29.586 29.876 -0.290 19285 2748 1 8 . 1 1 4 4 GLU H H 4 8.101 8.101 7.740 0.361 19285 2749 1 8 . 1 1 5 5 LEU N N 5 120.900 120.900 120.562 0.338 19285 2750 1 8 . 1 1 5 5 LEU HA H 5 4.395 4.395 4.363 0.032 19285 2751 1 8 . 1 1 5 5 LEU C C 5 179.432 179.432 178.742 0.690 19285 2752 1 8 . 1 1 5 5 LEU CA C 5 57.940 57.940 57.189 0.751 19285 2753 1 8 . 1 1 5 5 LEU CB C 5 41.647 41.647 41.580 0.067 19285 2754 1 8 . 1 1 5 5 LEU H H 5 8.570 8.570 8.322 0.248 19285 2755 1 8 . 1 1 6 6 SER N N 6 116.354 116.354 115.389 0.965 19285 2756 1 8 . 1 1 6 6 SER HA H 6 4.261 4.261 4.512 -0.251 19285 2757 1 8 . 1 1 6 6 SER C C 6 176.745 176.745 177.086 -0.341 19285 2758 1 8 . 1 1 6 6 SER CA C 6 61.992 61.992 61.637 0.355 19285 2759 1 8 . 1 1 6 6 SER CB C 6 62.341 62.341 63.158 -0.817 19285 2760 1 8 . 1 1 6 6 SER H H 6 8.604 8.604 8.694 -0.090 19285 2761 1 8 . 1 1 7 7 GLU N N 7 122.072 122.072 122.935 -0.863 19285 2762 1 8 . 1 1 7 7 GLU HA H 7 4.190 4.190 4.259 -0.069 19285 2763 1 8 . 1 1 7 7 GLU C C 7 178.189 178.189 178.829 -0.640 19285 2764 1 8 . 1 1 7 7 GLU CA C 7 58.831 58.831 58.995 -0.164 19285 2765 1 8 . 1 1 7 7 GLU CB C 7 28.965 28.965 29.663 -0.698 19285 2766 1 8 . 1 1 7 7 GLU H H 7 7.720 7.720 7.751 -0.031 19285 2767 1 8 . 1 1 8 8 CYS N N 8 117.904 117.904 118.919 -1.015 19285 2768 1 8 . 1 1 8 8 CYS HA H 8 4.053 4.053 4.098 -0.045 19285 2769 1 8 . 1 1 8 8 CYS C C 8 175.681 175.681 177.015 -1.334 19285 2770 1 8 . 1 1 8 8 CYS CA C 8 62.437 62.437 64.126 -1.689 19285 2771 1 8 . 1 1 8 8 CYS CB C 8 26.416 26.416 26.938 -0.522 19285 2772 1 8 . 1 1 8 8 CYS H H 8 8.019 8.019 8.325 -0.306 19285 2773 1 8 . 1 1 9 9 PHE N N 9 119.590 119.590 120.944 -1.354 19285 2774 1 8 . 1 1 9 9 PHE HA H 9 3.351 3.351 3.624 -0.273 19285 2775 1 8 . 1 1 9 9 PHE C C 9 175.681 175.681 176.918 -1.237 19285 2776 1 8 . 1 1 9 9 PHE CA C 9 62.181 62.181 62.221 -0.040 19285 2777 1 8 . 1 1 9 9 PHE CB C 9 39.277 39.277 38.921 0.356 19285 2778 1 8 . 1 1 9 9 PHE H H 9 8.427 8.427 8.538 -0.111 19285 2779 1 8 . 1 1 10 10 ARG N N 10 114.910 114.910 118.318 -3.408 19285 2780 1 8 . 1 1 10 10 ARG HA H 10 3.953 3.953 3.932 0.021 19285 2781 1 8 . 1 1 10 10 ARG C C 10 178.486 178.486 178.452 0.034 19285 2782 1 8 . 1 1 10 10 ARG CA C 10 58.967 58.967 59.165 -0.198 19285 2783 1 8 . 1 1 10 10 ARG CB C 10 29.948 29.948 30.189 -0.241 19285 2784 1 8 . 1 1 10 10 ARG H H 10 7.558 7.558 7.586 -0.028 19285 2785 1 8 . 1 1 11 11 ILE N N 11 118.349 118.349 118.969 -0.620 19285 2786 1 8 . 1 1 11 11 ILE HA H 11 3.582 3.582 3.609 -0.027 19285 2787 1 8 . 1 1 11 11 ILE C C 11 178.112 178.112 177.497 0.615 19285 2788 1 8 . 1 1 11 11 ILE CA C 11 63.622 63.622 64.442 -0.820 19285 2789 1 8 . 1 1 11 11 ILE CB C 11 37.340 37.340 37.818 -0.478 19285 2790 1 8 . 1 1 11 11 ILE H H 11 7.592 7.592 7.694 -0.102 19285 2791 1 8 . 1 1 12 12 PHE N N 12 116.960 116.960 115.962 0.998 19285 2792 1 8 . 1 1 12 12 PHE HA H 12 4.477 4.477 4.323 0.154 19285 2793 1 8 . 1 1 12 12 PHE C C 12 176.714 176.714 176.624 0.090 19285 2794 1 8 . 1 1 12 12 PHE CA C 12 58.669 58.669 59.244 -0.575 19285 2795 1 8 . 1 1 12 12 PHE CB C 12 39.165 39.165 39.352 -0.187 19285 2796 1 8 . 1 1 12 12 PHE H H 12 7.554 7.554 7.543 0.011 19285 2797 1 8 . 1 1 13 13 ASP N N 13 119.667 119.667 118.725 0.942 19285 2798 1 8 . 1 1 13 13 ASP HA H 13 4.474 4.474 4.489 -0.015 19285 2799 1 8 . 1 1 13 13 ASP C C 13 176.772 176.772 175.936 0.836 19285 2800 1 8 . 1 1 13 13 ASP CA C 13 52.106 52.106 52.549 -0.443 19285 2801 1 8 . 1 1 13 13 ASP CB C 13 37.794 37.794 38.511 -0.717 19285 2802 1 8 . 1 1 13 13 ASP H H 13 7.725 7.725 7.989 -0.264 19285 2803 1 8 . 1 1 14 14 LYS N N 14 125.111 125.111 121.219 3.892 19285 2804 1 8 . 1 1 14 14 LYS HA H 14 3.933 3.933 4.106 -0.173 19285 2805 1 8 . 1 1 14 14 LYS C C 14 178.180 178.180 177.534 0.646 19285 2806 1 8 . 1 1 14 14 LYS CA C 14 59.277 59.277 57.751 1.526 19285 2807 1 8 . 1 1 14 14 LYS CB C 14 32.988 32.988 32.463 0.525 19285 2808 1 8 . 1 1 14 14 LYS H H 14 7.577 7.577 7.753 -0.176 19285 2809 1 8 . 1 1 15 15 ASP N N 15 114.010 114.010 117.723 -3.713 19285 2810 1 8 . 1 1 15 15 ASP HA H 15 4.588 4.588 4.533 0.055 19285 2811 1 8 . 1 1 15 15 ASP C C 15 177.680 177.680 177.036 0.644 19285 2812 1 8 . 1 1 15 15 ASP CA C 15 52.565 52.565 54.601 -2.036 19285 2813 1 8 . 1 1 15 15 ASP CB C 15 39.322 39.322 40.751 -1.429 19285 2814 1 8 . 1 1 15 15 ASP H H 15 8.032 8.032 8.140 -0.108 19285 2815 1 8 . 1 1 16 16 GLY N N 16 109.187 109.187 106.822 2.365 19285 2816 1 8 . 1 1 16 16 GLY C C 16 175.043 175.043 175.073 -0.030 19285 2817 1 8 . 1 1 16 16 GLY CA C 16 47.001 47.001 45.103 1.898 19285 2818 1 8 . 1 1 16 16 GLY H H 16 7.713 7.713 7.820 -0.107 19285 2819 1 8 . 1 1 17 17 ASN N N 17 118.569 118.569 119.210 -0.641 19285 2820 1 8 . 1 1 17 17 ASN HA H 17 4.600 4.600 4.497 0.103 19285 2821 1 8 . 1 1 17 17 ASN C C 17 176.026 176.026 176.610 -0.584 19285 2822 1 8 . 1 1 17 17 ASN CA C 17 52.265 52.265 53.711 -1.446 19285 2823 1 8 . 1 1 17 17 ASN CB C 17 37.340 37.340 38.508 -1.168 19285 2824 1 8 . 1 1 17 17 ASN H H 17 8.118 8.118 8.738 -0.620 19285 2825 1 8 . 1 1 18 18 GLY N N 18 112.477 112.477 106.957 5.520 19285 2826 1 8 . 1 1 18 18 GLY C C 18 172.479 172.479 173.360 -0.881 19285 2827 1 8 . 1 1 18 18 GLY CA C 18 45.110 45.110 45.505 -0.395 19285 2828 1 8 . 1 1 18 18 GLY H H 18 10.596 10.596 8.883 1.713 19285 2829 1 8 . 1 1 19 19 PHE N N 19 113.792 113.792 113.307 0.485 19285 2830 1 8 . 1 1 19 19 PHE HA H 19 5.291 5.291 5.397 -0.106 19285 2831 1 8 . 1 1 19 19 PHE C C 19 173.646 173.646 173.291 0.355 19285 2832 1 8 . 1 1 19 19 PHE CA C 19 55.516 55.516 56.153 -0.637 19285 2833 1 8 . 1 1 19 19 PHE CB C 19 43.196 43.196 41.029 2.167 19285 2834 1 8 . 1 1 19 19 PHE H H 19 7.500 7.500 7.157 0.343 19285 2835 1 8 . 1 1 20 20 ILE N N 20 126.629 126.629 121.690 4.939 19285 2836 1 8 . 1 1 20 20 ILE HA H 20 5.051 5.051 4.868 0.183 19285 2837 1 8 . 1 1 20 20 ILE C C 20 175.764 175.764 175.735 0.029 19285 2838 1 8 . 1 1 20 20 ILE CA C 20 58.933 58.933 59.287 -0.354 19285 2839 1 8 . 1 1 20 20 ILE CB C 20 37.846 37.846 38.420 -0.574 19285 2840 1 8 . 1 1 20 20 ILE H H 20 9.988 9.988 9.212 0.776 19285 2841 1 8 . 1 1 21 21 ASP N N 21 129.797 129.797 127.701 2.096 19285 2842 1 8 . 1 1 21 21 ASP HA H 21 5.124 5.124 5.188 -0.064 19285 2843 1 8 . 1 1 21 21 ASP C C 21 175.686 175.686 177.248 -1.562 19285 2844 1 8 . 1 1 21 21 ASP CA C 21 52.214 52.214 53.033 -0.819 19285 2845 1 8 . 1 1 21 21 ASP CB C 21 41.907 41.907 43.932 -2.026 19285 2846 1 8 . 1 1 21 21 ASP H H 21 9.322 9.322 9.129 0.193 19285 2847 1 8 . 1 1 22 22 ARG N N 22 118.041 118.041 121.898 -3.857 19285 2848 1 8 . 1 1 22 22 ARG HA H 22 3.359 3.359 3.023 0.336 19285 2849 1 8 . 1 1 22 22 ARG C C 22 178.803 178.803 177.986 0.817 19285 2850 1 8 . 1 1 22 22 ARG CA C 22 58.193 58.193 60.322 -2.130 19285 2851 1 8 . 1 1 22 22 ARG CB C 22 28.264 28.264 29.800 -1.536 19285 2852 1 8 . 1 1 22 22 ARG H H 22 8.564 8.564 8.802 -0.238 19285 2853 1 8 . 1 1 23 23 GLU N N 23 122.771 122.771 118.080 4.691 19285 2854 1 8 . 1 1 23 23 GLU HA H 23 4.108 4.108 4.007 0.101 19285 2855 1 8 . 1 1 23 23 GLU C C 23 180.100 180.100 178.897 1.203 19285 2856 1 8 . 1 1 23 23 GLU CA C 23 59.392 59.392 59.576 -0.184 19285 2857 1 8 . 1 1 23 23 GLU CB C 23 28.950 28.950 29.200 -0.250 19285 2858 1 8 . 1 1 23 23 GLU H H 23 8.309 8.309 8.761 -0.452 19285 2859 1 8 . 1 1 24 24 GLU N N 24 122.272 122.272 119.717 2.555 19285 2860 1 8 . 1 1 24 24 GLU HA H 24 4.179 4.179 4.092 0.087 19285 2861 1 8 . 1 1 24 24 GLU C C 24 179.466 179.466 178.687 0.779 19285 2862 1 8 . 1 1 24 24 GLU CA C 24 58.237 58.237 59.150 -0.913 19285 2863 1 8 . 1 1 24 24 GLU CB C 24 30.455 30.455 29.507 0.948 19285 2864 1 8 . 1 1 24 24 GLU H H 24 9.062 9.062 8.390 0.672 19285 2865 1 8 . 1 1 25 25 PHE N N 25 118.985 118.985 121.172 -2.187 19285 2866 1 8 . 1 1 25 25 PHE HA H 25 4.050 4.050 4.217 -0.167 19285 2867 1 8 . 1 1 25 25 PHE C C 25 176.876 176.876 177.171 -0.295 19285 2868 1 8 . 1 1 25 25 PHE CA C 25 60.766 60.766 60.898 -0.132 19285 2869 1 8 . 1 1 25 25 PHE CB C 25 40.514 40.514 39.035 1.479 19285 2870 1 8 . 1 1 25 25 PHE H H 25 8.931 8.931 8.544 0.387 19285 2871 1 8 . 1 1 26 26 GLY N N 26 103.509 103.509 105.944 -2.435 19285 2872 1 8 . 1 1 26 26 GLY C C 26 175.475 175.475 175.421 0.054 19285 2873 1 8 . 1 1 26 26 GLY CA C 26 47.163 47.163 47.434 -0.271 19285 2874 1 8 . 1 1 26 26 GLY H H 26 7.891 7.891 8.237 -0.346 19285 2875 1 8 . 1 1 27 27 ASP N N 27 119.470 119.470 122.146 -2.676 19285 2876 1 8 . 1 1 27 27 ASP HA H 27 4.545 4.545 4.622 -0.077 19285 2877 1 8 . 1 1 27 27 ASP C C 27 177.555 177.555 178.394 -0.839 19285 2878 1 8 . 1 1 27 27 ASP CA C 27 56.657 56.657 56.437 0.221 19285 2879 1 8 . 1 1 27 27 ASP CB C 27 40.521 40.521 41.281 -0.760 19285 2880 1 8 . 1 1 27 27 ASP H H 27 7.492 7.492 7.648 -0.156 19285 2881 1 8 . 1 1 28 28 ILE N N 28 119.005 119.005 121.112 -2.107 19285 2882 1 8 . 1 1 28 28 ILE HA H 28 3.222 3.222 3.325 -0.103 19285 2883 1 8 . 1 1 28 28 ILE C C 28 178.112 178.112 177.793 0.319 19285 2884 1 8 . 1 1 28 28 ILE CA C 28 63.693 63.693 64.979 -1.286 19285 2885 1 8 . 1 1 28 28 ILE CB C 28 36.967 36.967 37.814 -0.847 19285 2886 1 8 . 1 1 28 28 ILE H H 28 7.290 7.290 8.057 -0.767 19285 2887 1 8 . 1 1 29 29 ILE N N 29 118.036 118.036 119.633 -1.597 19285 2888 1 8 . 1 1 29 29 ILE HA H 29 3.792 3.792 3.580 0.212 19285 2889 1 8 . 1 1 29 29 ILE C C 29 178.396 178.396 177.029 1.367 19285 2890 1 8 . 1 1 29 29 ILE CA C 29 61.114 61.114 62.804 -1.690 19285 2891 1 8 . 1 1 29 29 ILE CB C 29 36.103 36.103 37.425 -1.322 19285 2892 1 8 . 1 1 29 29 ILE H H 29 7.217 7.217 7.918 -0.701 19285 2893 1 8 . 1 1 30 30 ARG N N 30 120.280 120.280 117.097 3.183 19285 2894 1 8 . 1 1 30 30 ARG HA H 30 4.165 4.165 4.038 0.127 19285 2895 1 8 . 1 1 30 30 ARG C C 30 178.243 178.243 178.189 0.054 19285 2896 1 8 . 1 1 30 30 ARG CA C 30 58.528 58.528 58.699 -0.171 19285 2897 1 8 . 1 1 30 30 ARG CB C 30 29.873 29.873 30.072 -0.199 19285 2898 1 8 . 1 1 30 30 ARG H H 30 7.748 7.748 8.027 -0.280 19285 2899 1 8 . 1 1 31 31 LEU N N 31 119.077 119.077 118.859 0.218 19285 2900 1 8 . 1 1 31 31 LEU HA H 31 4.211 4.211 4.315 -0.104 19285 2901 1 8 . 1 1 31 31 LEU C C 31 178.573 178.573 178.434 0.139 19285 2902 1 8 . 1 1 31 31 LEU CA C 31 56.866 56.866 56.598 0.268 19285 2903 1 8 . 1 1 31 31 LEU CB C 31 41.900 41.900 42.314 -0.414 19285 2904 1 8 . 1 1 31 31 LEU H H 31 7.614 7.614 7.813 -0.199 19285 2905 1 8 . 1 1 32 32 THR N N 32 108.038 108.038 108.663 -0.625 19285 2906 1 8 . 1 1 32 32 THR HA H 32 4.346 4.346 4.446 -0.100 19285 2907 1 8 . 1 1 32 32 THR C C 32 175.796 175.796 175.830 -0.034 19285 2908 1 8 . 1 1 32 32 THR CA C 32 62.532 62.532 62.891 -0.359 19285 2909 1 8 . 1 1 32 32 THR CB C 32 70.251 70.251 69.647 0.604 19285 2910 1 8 . 1 1 32 32 THR H H 32 7.652 7.652 7.862 -0.210 19285 2911 1 8 . 1 1 33 33 GLY N N 33 109.261 109.261 111.259 -1.998 19285 2912 1 8 . 1 1 33 33 GLY C C 33 174.020 174.020 173.196 0.824 19285 2913 1 8 . 1 1 33 33 GLY CA C 33 45.617 45.617 44.569 1.048 19285 2914 1 8 . 1 1 33 33 GLY H H 33 7.812 7.812 7.540 0.272 19285 2915 1 8 . 1 1 34 34 GLU N N 34 120.265 120.265 120.417 -0.152 19285 2916 1 8 . 1 1 34 34 GLU HA H 34 4.264 4.264 4.484 -0.220 19285 2917 1 8 . 1 1 34 34 GLU C C 34 176.124 176.124 174.735 1.389 19285 2918 1 8 . 1 1 34 34 GLU CA C 34 56.198 56.198 54.922 1.276 19285 2919 1 8 . 1 1 34 34 GLU CB C 34 30.221 30.221 31.285 -1.064 19285 2920 1 8 . 1 1 34 34 GLU H H 34 7.857 7.857 8.149 -0.292 19285 2921 1 8 . 1 1 35 35 GLN N N 35 122.159 122.159 125.900 -3.741 19285 2922 1 8 . 1 1 35 35 GLN HA H 35 4.319 4.319 4.147 0.172 19285 2923 1 8 . 1 1 35 35 GLN C C 35 174.957 174.957 174.942 0.015 19285 2924 1 8 . 1 1 35 35 GLN CA C 35 55.489 55.489 56.186 -0.697 19285 2925 1 8 . 1 1 35 35 GLN CB C 35 27.772 27.772 28.767 -0.995 19285 2926 1 8 . 1 1 35 35 GLN H H 35 8.683 8.683 8.396 0.287 19285 2927 1 8 . 1 1 36 36 LEU N N 36 124.703 124.703 127.121 -2.418 19285 2928 1 8 . 1 1 36 36 LEU HA H 36 4.764 4.764 4.614 0.150 19285 2929 1 8 . 1 1 36 36 LEU C C 36 177.647 177.647 177.294 0.353 19285 2930 1 8 . 1 1 36 36 LEU CA C 36 53.868 53.868 53.195 0.673 19285 2931 1 8 . 1 1 36 36 LEU CB C 36 44.448 44.448 44.312 0.136 19285 2932 1 8 . 1 1 36 36 LEU H H 36 7.790 7.790 8.347 -0.557 19285 2933 1 8 . 1 1 37 37 THR N N 37 114.475 114.475 112.682 1.793 19285 2934 1 8 . 1 1 37 37 THR HA H 37 4.485 4.485 4.412 0.073 19285 2935 1 8 . 1 1 37 37 THR C C 37 175.339 175.339 175.342 -0.003 19285 2936 1 8 . 1 1 37 37 THR CA C 37 60.591 60.591 60.638 -0.047 19285 2937 1 8 . 1 1 37 37 THR CB C 37 71.227 71.227 70.596 0.631 19285 2938 1 8 . 1 1 37 37 THR H H 37 9.146 9.146 8.430 0.716 19285 2939 1 8 . 1 1 38 38 ASP N N 38 120.839 120.839 119.846 0.993 19285 2940 1 8 . 1 1 38 38 ASP HA H 38 4.255 4.255 4.359 -0.104 19285 2941 1 8 . 1 1 38 38 ASP C C 38 177.870 177.870 178.431 -0.561 19285 2942 1 8 . 1 1 38 38 ASP CA C 38 57.889 57.889 57.452 0.437 19285 2943 1 8 . 1 1 38 38 ASP CB C 38 39.895 39.895 40.390 -0.495 19285 2944 1 8 . 1 1 38 38 ASP H H 38 8.857 8.857 8.829 0.028 19285 2945 1 8 . 1 1 39 39 GLU N N 39 118.596 118.596 119.046 -0.450 19285 2946 1 8 . 1 1 39 39 GLU HA H 39 4.120 4.120 4.189 -0.069 19285 2947 1 8 . 1 1 39 39 GLU C C 39 179.052 179.052 178.350 0.702 19285 2948 1 8 . 1 1 39 39 GLU CA C 39 59.662 59.662 58.698 0.964 19285 2949 1 8 . 1 1 39 39 GLU CB C 39 28.823 28.823 29.946 -1.123 19285 2950 1 8 . 1 1 39 39 GLU H H 39 8.389 8.389 7.738 0.651 19285 2951 1 8 . 1 1 40 40 ASP N N 40 121.412 121.412 120.965 0.447 19285 2952 1 8 . 1 1 40 40 ASP HA H 40 4.460 4.460 4.516 -0.056 19285 2953 1 8 . 1 1 40 40 ASP C C 40 179.307 179.307 178.981 0.326 19285 2954 1 8 . 1 1 40 40 ASP CA C 40 57.164 57.164 57.148 0.016 19285 2955 1 8 . 1 1 40 40 ASP CB C 40 41.229 41.229 40.607 0.622 19285 2956 1 8 . 1 1 40 40 ASP H H 40 7.768 7.768 7.929 -0.161 19285 2957 1 8 . 1 1 41 41 VAL N N 41 121.053 121.053 119.933 1.120 19285 2958 1 8 . 1 1 41 41 VAL HA H 41 3.605 3.605 3.768 -0.163 19285 2959 1 8 . 1 1 41 41 VAL C C 41 177.685 177.685 177.834 -0.149 19285 2960 1 8 . 1 1 41 41 VAL CA C 41 67.286 67.286 67.131 0.155 19285 2961 1 8 . 1 1 41 41 VAL CB C 41 31.498 31.498 31.775 -0.277 19285 2962 1 8 . 1 1 41 41 VAL H H 41 8.215 8.215 8.619 -0.404 19285 2963 1 8 . 1 1 42 42 ASP N N 42 120.507 120.507 119.862 0.645 19285 2964 1 8 . 1 1 42 42 ASP HA H 42 4.213 4.213 4.527 -0.314 19285 2965 1 8 . 1 1 42 42 ASP C C 42 179.444 179.444 179.079 0.365 19285 2966 1 8 . 1 1 42 42 ASP CA C 42 57.744 57.744 57.489 0.255 19285 2967 1 8 . 1 1 42 42 ASP CB C 42 40.082 40.082 40.298 -0.216 19285 2968 1 8 . 1 1 42 42 ASP H H 42 8.527 8.527 7.772 0.755 19285 2969 1 8 . 1 1 43 43 GLU N N 43 121.091 121.091 120.327 0.764 19285 2970 1 8 . 1 1 43 43 GLU HA H 43 4.119 4.119 4.105 0.014 19285 2971 1 8 . 1 1 43 43 GLU C C 43 178.328 178.328 179.160 -0.832 19285 2972 1 8 . 1 1 43 43 GLU CA C 43 59.264 59.264 59.492 -0.228 19285 2973 1 8 . 1 1 43 43 GLU CB C 43 29.277 29.277 29.935 -0.658 19285 2974 1 8 . 1 1 43 43 GLU H H 43 7.758 7.758 8.145 -0.387 19285 2975 1 8 . 1 1 44 44 ILE N N 44 120.248 120.248 119.945 0.303 19285 2976 1 8 . 1 1 44 44 ILE HA H 44 3.957 3.957 4.109 -0.152 19285 2977 1 8 . 1 1 44 44 ILE C C 44 179.412 179.412 178.239 1.173 19285 2978 1 8 . 1 1 44 44 ILE CA C 44 64.747 64.747 62.563 2.183 19285 2979 1 8 . 1 1 44 44 ILE CB C 44 38.919 38.919 37.046 1.873 19285 2980 1 8 . 1 1 44 44 ILE H H 44 7.934 7.934 8.469 -0.535 19285 2981 1 8 . 1 1 45 45 PHE N N 45 124.028 124.028 121.465 2.563 19285 2982 1 8 . 1 1 45 45 PHE HA H 45 3.126 3.126 3.431 -0.305 19285 2983 1 8 . 1 1 45 45 PHE C C 45 176.732 176.732 177.333 -0.601 19285 2984 1 8 . 1 1 45 45 PHE CA C 45 62.039 62.039 61.927 0.112 19285 2985 1 8 . 1 1 45 45 PHE CB C 45 38.562 38.562 38.627 -0.065 19285 2986 1 8 . 1 1 45 45 PHE H H 45 9.019 9.019 8.724 0.295 19285 2987 1 8 . 1 1 46 46 GLY N N 46 104.229 104.229 106.168 -1.939 19285 2988 1 8 . 1 1 46 46 GLY C C 46 176.365 176.365 175.204 1.161 19285 2989 1 8 . 1 1 46 46 GLY CA C 46 47.055 47.055 46.784 0.271 19285 2990 1 8 . 1 1 46 46 GLY H H 46 8.219 8.219 8.157 0.062 19285 2991 1 8 . 1 1 47 47 ASP N N 47 119.686 119.686 120.675 -0.989 19285 2992 1 8 . 1 1 47 47 ASP HA H 47 4.343 4.343 4.421 -0.078 19285 2993 1 8 . 1 1 47 47 ASP C C 47 178.101 178.101 177.553 0.548 19285 2994 1 8 . 1 1 47 47 ASP CA C 47 56.235 56.235 56.150 0.085 19285 2995 1 8 . 1 1 47 47 ASP CB C 47 40.558 40.558 40.726 -0.168 19285 2996 1 8 . 1 1 47 47 ASP H H 47 8.106 8.106 7.831 0.275 19285 2997 1 8 . 1 1 48 48 SER N N 48 113.923 113.923 113.006 0.917 19285 2998 1 8 . 1 1 48 48 SER HA H 48 4.281 4.281 4.169 0.112 19285 2999 1 8 . 1 1 48 48 SER C C 48 173.432 173.432 174.474 -1.042 19285 3000 1 8 . 1 1 48 48 SER CA C 48 59.878 59.878 60.902 -1.024 19285 3001 1 8 . 1 1 48 48 SER CB C 48 63.709 63.709 63.433 0.276 19285 3002 1 8 . 1 1 48 48 SER H H 48 7.567 7.567 7.811 -0.244 19285 3003 1 8 . 1 1 49 49 ASP N N 49 121.595 121.595 121.022 0.573 19285 3004 1 8 . 1 1 49 49 ASP HA H 49 4.424 4.424 4.699 -0.275 19285 3005 1 8 . 1 1 49 49 ASP C C 49 177.055 177.055 176.742 0.313 19285 3006 1 8 . 1 1 49 49 ASP CA C 49 51.836 51.836 52.985 -1.149 19285 3007 1 8 . 1 1 49 49 ASP CB C 49 38.427 38.427 39.342 -0.915 19285 3008 1 8 . 1 1 49 49 ASP H H 49 7.323 7.323 7.496 -0.173 19285 3009 1 8 . 1 1 50 50 THR N N 50 119.204 119.204 114.995 4.209 19285 3010 1 8 . 1 1 50 50 THR HA H 50 3.863 3.863 4.181 -0.318 19285 3011 1 8 . 1 1 50 50 THR C C 50 176.041 176.041 175.890 0.151 19285 3012 1 8 . 1 1 50 50 THR CA C 50 65.351 65.351 63.906 1.445 19285 3013 1 8 . 1 1 50 50 THR CB C 50 68.597 68.597 69.130 -0.533 19285 3014 1 8 . 1 1 50 50 THR H H 50 7.841 7.841 8.217 -0.376 19285 3015 1 8 . 1 1 51 51 ASP N N 51 117.233 117.233 121.031 -3.798 19285 3016 1 8 . 1 1 51 51 ASP HA H 51 4.607 4.607 4.654 -0.047 19285 3017 1 8 . 1 1 51 51 ASP C C 51 175.994 175.994 175.258 0.736 19285 3018 1 8 . 1 1 51 51 ASP CA C 51 52.795 52.795 54.687 -1.892 19285 3019 1 8 . 1 1 51 51 ASP CB C 51 39.098 39.098 40.701 -1.603 19285 3020 1 8 . 1 1 51 51 ASP H H 51 7.972 7.972 8.319 -0.347 19285 3021 1 8 . 1 1 52 52 LYS N N 52 113.938 113.938 115.935 -1.997 19285 3022 1 8 . 1 1 52 52 LYS HA H 52 3.961 3.961 4.061 -0.100 19285 3023 1 8 . 1 1 52 52 LYS C C 52 176.126 176.126 175.759 0.367 19285 3024 1 8 . 1 1 52 52 LYS CA C 52 56.238 56.238 57.203 -0.965 19285 3025 1 8 . 1 1 52 52 LYS CB C 52 28.711 28.711 29.996 -1.285 19285 3026 1 8 . 1 1 52 52 LYS H H 52 7.729 7.729 7.866 -0.137 19285 3027 1 8 . 1 1 53 53 ASN N N 53 117.127 117.127 117.180 -0.053 19285 3028 1 8 . 1 1 53 53 ASN HA H 53 4.764 4.764 4.729 0.035 19285 3029 1 8 . 1 1 53 53 ASN C C 53 177.056 177.056 176.297 0.759 19285 3030 1 8 . 1 1 53 53 ASN CA C 53 51.626 51.626 52.305 -0.679 19285 3031 1 8 . 1 1 53 53 ASN CB C 53 37.742 37.742 38.963 -1.221 19285 3032 1 8 . 1 1 53 53 ASN H H 53 8.193 8.193 8.348 -0.155 19285 3033 1 8 . 1 1 54 54 GLY N N 54 113.327 113.327 109.564 3.763 19285 3034 1 8 . 1 1 54 54 GLY C C 54 172.983 172.983 173.759 -0.776 19285 3035 1 8 . 1 1 54 54 GLY CA C 54 45.671 45.671 45.301 0.370 19285 3036 1 8 . 1 1 54 54 GLY H H 54 10.782 10.782 8.926 1.856 19285 3037 1 8 . 1 1 55 55 ARG N N 55 115.634 115.634 118.439 -2.805 19285 3038 1 8 . 1 1 55 55 ARG HA H 55 4.826 4.826 5.052 -0.226 19285 3039 1 8 . 1 1 55 55 ARG C C 55 173.745 173.745 174.860 -1.115 19285 3040 1 8 . 1 1 55 55 ARG CA C 55 54.044 54.044 53.403 0.641 19285 3041 1 8 . 1 1 55 55 ARG CB C 55 33.457 33.457 33.733 -0.276 19285 3042 1 8 . 1 1 55 55 ARG H H 55 7.501 7.501 8.376 -0.875 19285 3043 1 8 . 1 1 56 56 ILE N N 56 127.446 127.446 122.917 4.529 19285 3044 1 8 . 1 1 56 56 ILE HA H 56 5.127 5.127 4.399 0.728 19285 3045 1 8 . 1 1 56 56 ILE C C 56 175.886 175.886 175.594 0.292 19285 3046 1 8 . 1 1 56 56 ILE CA C 56 58.892 58.892 61.187 -2.295 19285 3047 1 8 . 1 1 56 56 ILE CB C 56 36.907 36.907 38.801 -1.894 19285 3048 1 8 . 1 1 56 56 ILE H H 56 9.592 9.592 8.620 0.972 19285 3049 1 8 . 1 1 57 57 ASP N N 57 129.499 129.499 128.084 1.415 19285 3050 1 8 . 1 1 57 57 ASP HA H 57 5.185 5.185 4.895 0.290 19285 3051 1 8 . 1 1 57 57 ASP C C 57 175.630 175.630 177.144 -1.514 19285 3052 1 8 . 1 1 57 57 ASP CA C 57 52.329 52.329 53.212 -0.883 19285 3053 1 8 . 1 1 57 57 ASP CB C 57 42.175 42.175 43.142 -0.967 19285 3054 1 8 . 1 1 57 57 ASP H H 57 9.267 9.267 8.925 0.342 19285 3055 1 8 . 1 1 58 58 PHE N N 58 118.391 118.391 122.484 -4.093 19285 3056 1 8 . 1 1 58 58 PHE HA H 58 3.761 3.761 3.771 -0.010 19285 3057 1 8 . 1 1 58 58 PHE C C 58 176.306 176.306 176.528 -0.222 19285 3058 1 8 . 1 1 58 58 PHE CA C 58 61.806 61.806 62.680 -0.874 19285 3059 1 8 . 1 1 58 58 PHE CB C 58 38.539 38.539 39.074 -0.535 19285 3060 1 8 . 1 1 58 58 PHE H H 58 8.799 8.799 9.108 -0.309 19285 3061 1 8 . 1 1 59 59 ASP N N 59 118.077 118.077 118.535 -0.458 19285 3062 1 8 . 1 1 59 59 ASP HA H 59 4.167 4.167 4.193 -0.026 19285 3063 1 8 . 1 1 59 59 ASP C C 59 179.808 179.808 178.564 1.244 19285 3064 1 8 . 1 1 59 59 ASP CA C 59 57.781 57.781 57.702 0.079 19285 3065 1 8 . 1 1 59 59 ASP CB C 59 41.399 41.399 39.632 1.767 19285 3066 1 8 . 1 1 59 59 ASP H H 59 7.930 7.930 8.847 -0.917 19285 3067 1 8 . 1 1 60 60 GLU N N 60 117.047 117.047 120.275 -3.228 19285 3068 1 8 . 1 1 60 60 GLU HA H 60 3.967 3.967 4.046 -0.079 19285 3069 1 8 . 1 1 60 60 GLU C C 60 180.287 180.287 178.731 1.556 19285 3070 1 8 . 1 1 60 60 GLU CA C 60 58.326 58.326 58.985 -0.659 19285 3071 1 8 . 1 1 60 60 GLU CB C 60 29.925 29.925 29.491 0.434 19285 3072 1 8 . 1 1 60 60 GLU H H 60 7.331 7.331 8.082 -0.751 19285 3073 1 8 . 1 1 61 61 PHE N N 61 124.075 124.075 121.925 2.150 19285 3074 1 8 . 1 1 61 61 PHE HA H 61 4.155 4.155 4.191 -0.036 19285 3075 1 8 . 1 1 61 61 PHE C C 61 176.012 176.012 176.981 -0.969 19285 3076 1 8 . 1 1 61 61 PHE CA C 61 61.100 61.100 61.608 -0.508 19285 3077 1 8 . 1 1 61 61 PHE CB C 61 39.493 39.493 39.306 0.187 19285 3078 1 8 . 1 1 61 61 PHE H H 61 9.079 9.079 8.536 0.543 19285 3079 1 8 . 1 1 62 62 LEU N N 62 119.964 119.964 119.930 0.034 19285 3080 1 8 . 1 1 62 62 LEU HA H 62 3.501 3.501 3.715 -0.214 19285 3081 1 8 . 1 1 62 62 LEU C C 62 179.855 179.855 178.738 1.117 19285 3082 1 8 . 1 1 62 62 LEU CA C 62 58.109 58.109 58.254 -0.145 19285 3083 1 8 . 1 1 62 62 LEU CB C 62 40.495 40.495 40.895 -0.400 19285 3084 1 8 . 1 1 62 62 LEU H H 62 8.416 8.416 8.247 0.169 19285 3085 1 8 . 1 1 63 63 LYS N N 63 121.221 121.221 117.984 3.237 19285 3086 1 8 . 1 1 63 63 LYS HA H 63 4.060 4.060 3.923 0.137 19285 3087 1 8 . 1 1 63 63 LYS C C 63 178.875 178.875 179.181 -0.306 19285 3088 1 8 . 1 1 63 63 LYS CA C 63 58.288 58.288 59.161 -0.873 19285 3089 1 8 . 1 1 63 63 LYS CB C 63 31.683 31.683 32.253 -0.570 19285 3090 1 8 . 1 1 63 63 LYS H H 63 8.804 8.804 7.781 1.023 19285 3091 1 8 . 1 1 64 64 MET N N 64 119.896 119.896 119.977 -0.081 19285 3092 1 8 . 1 1 64 64 MET HA H 64 4.108 4.108 4.109 -0.001 19285 3093 1 8 . 1 1 64 64 MET C C 64 178.427 178.427 178.404 0.023 19285 3094 1 8 . 1 1 64 64 MET CA C 64 58.374 58.374 57.955 0.420 19285 3095 1 8 . 1 1 64 64 MET CB C 64 32.200 32.200 32.170 0.030 19285 3096 1 8 . 1 1 64 64 MET H H 64 7.895 7.895 8.005 -0.110 19285 3097 1 8 . 1 1 65 65 MET N N 65 116.299 116.299 117.340 -1.041 19285 3098 1 8 . 1 1 65 65 MET HA H 65 4.337 4.337 4.050 0.287 19285 3099 1 8 . 1 1 65 65 MET C C 65 178.184 178.184 178.959 -0.775 19285 3100 1 8 . 1 1 65 65 MET CA C 65 55.118 55.118 57.710 -2.592 19285 3101 1 8 . 1 1 65 65 MET CB C 65 30.790 30.790 30.813 -0.023 19285 3102 1 8 . 1 1 65 65 MET H H 65 7.859 7.859 8.315 -0.456 19285 3103 1 8 . 1 1 66 66 GLU N N 66 119.624 119.624 116.949 2.675 19285 3104 1 8 . 1 1 66 66 GLU HA H 66 4.091 4.091 4.110 -0.019 19285 3105 1 8 . 1 1 66 66 GLU C C 66 177.017 177.017 177.181 -0.164 19285 3106 1 8 . 1 1 66 66 GLU CA C 66 58.092 58.092 58.304 -0.212 19285 3107 1 8 . 1 1 66 66 GLU CB C 66 29.619 29.619 29.574 0.045 19285 3108 1 8 . 1 1 66 66 GLU H H 66 7.568 7.568 7.608 -0.040 19285 3109 1 8 . 1 1 67 67 ASN N N 67 116.153 116.153 115.580 0.573 19285 3110 1 8 . 1 1 67 67 ASN HA H 67 4.776 4.776 4.793 -0.017 19285 3111 1 8 . 1 1 67 67 ASN C C 67 175.231 175.231 174.812 0.419 19285 3112 1 8 . 1 1 67 67 ASN CA C 67 53.440 53.440 52.843 0.597 19285 3113 1 8 . 1 1 67 67 ASN CB C 67 39.284 39.284 39.230 0.054 19285 3114 1 8 . 1 1 67 67 ASN H H 67 7.819 7.819 7.756 0.063 19285 3115 1 8 . 1 1 68 68 VAL N N 68 119.217 119.217 121.464 -2.247 19285 3116 1 8 . 1 1 68 68 VAL HA H 68 4.147 4.147 4.090 0.057 19285 3117 1 8 . 1 1 68 68 VAL C C 68 175.101 175.101 176.089 -0.988 19285 3118 1 8 . 1 1 68 68 VAL CA C 68 62.576 62.576 63.332 -0.756 19285 3119 1 8 . 1 1 68 68 VAL CB C 68 32.250 32.250 31.823 0.427 19285 3120 1 8 . 1 1 68 68 VAL H H 68 7.641 7.641 7.155 0.486 19285 3121 1 9 . 1 1 2 2 GLU N N 2 122.304 122.304 122.827 -0.523 19285 3122 1 9 . 1 1 2 2 GLU HA H 2 4.059 4.059 4.126 -0.067 19285 3123 1 9 . 1 1 2 2 GLU C C 2 178.560 178.560 178.383 0.177 19285 3124 1 9 . 1 1 2 2 GLU CA C 2 59.898 59.898 59.418 0.480 19285 3125 1 9 . 1 1 2 2 GLU CB C 2 29.215 29.215 29.554 -0.339 19285 3126 1 9 . 1 1 2 2 GLU H H 2 8.881 8.881 8.782 0.099 19285 3127 1 9 . 1 1 3 3 GLU N N 3 120.033 120.033 118.208 1.825 19285 3128 1 9 . 1 1 3 3 GLU HA H 3 4.155 4.155 4.109 0.046 19285 3129 1 9 . 1 1 3 3 GLU C C 3 179.048 179.048 179.146 -0.098 19285 3130 1 9 . 1 1 3 3 GLU CA C 3 59.270 59.270 59.547 -0.277 19285 3131 1 9 . 1 1 3 3 GLU CB C 3 29.343 29.343 29.292 0.051 19285 3132 1 9 . 1 1 3 3 GLU H H 3 8.528 8.528 8.793 -0.265 19285 3133 1 9 . 1 1 4 4 GLU N N 4 120.958 120.958 119.743 1.215 19285 3134 1 9 . 1 1 4 4 GLU HA H 4 4.176 4.176 4.182 -0.006 19285 3135 1 9 . 1 1 4 4 GLU C C 4 179.840 179.840 179.060 0.780 19285 3136 1 9 . 1 1 4 4 GLU CA C 4 58.953 58.953 58.776 0.177 19285 3137 1 9 . 1 1 4 4 GLU CB C 4 29.586 29.586 29.758 -0.172 19285 3138 1 9 . 1 1 4 4 GLU H H 4 8.101 8.101 7.602 0.499 19285 3139 1 9 . 1 1 5 5 LEU N N 5 120.900 120.900 120.299 0.601 19285 3140 1 9 . 1 1 5 5 LEU HA H 5 4.395 4.395 4.269 0.126 19285 3141 1 9 . 1 1 5 5 LEU C C 5 179.432 179.432 179.223 0.209 19285 3142 1 9 . 1 1 5 5 LEU CA C 5 57.940 57.940 57.547 0.393 19285 3143 1 9 . 1 1 5 5 LEU CB C 5 41.647 41.647 41.776 -0.129 19285 3144 1 9 . 1 1 5 5 LEU H H 5 8.570 8.570 8.515 0.055 19285 3145 1 9 . 1 1 6 6 SER N N 6 116.354 116.354 116.778 -0.424 19285 3146 1 9 . 1 1 6 6 SER HA H 6 4.261 4.261 4.392 -0.131 19285 3147 1 9 . 1 1 6 6 SER C C 6 176.745 176.745 176.741 0.004 19285 3148 1 9 . 1 1 6 6 SER CA C 6 61.992 61.992 62.440 -0.448 19285 3149 1 9 . 1 1 6 6 SER CB C 6 62.341 62.341 62.925 -0.584 19285 3150 1 9 . 1 1 6 6 SER H H 6 8.604 8.604 8.728 -0.124 19285 3151 1 9 . 1 1 7 7 GLU N N 7 122.072 122.072 122.141 -0.069 19285 3152 1 9 . 1 1 7 7 GLU HA H 7 4.190 4.190 4.091 0.099 19285 3153 1 9 . 1 1 7 7 GLU C C 7 178.189 178.189 178.900 -0.711 19285 3154 1 9 . 1 1 7 7 GLU CA C 7 58.831 58.831 59.289 -0.458 19285 3155 1 9 . 1 1 7 7 GLU CB C 7 28.965 28.965 29.573 -0.608 19285 3156 1 9 . 1 1 7 7 GLU H H 7 7.720 7.720 7.605 0.115 19285 3157 1 9 . 1 1 8 8 CYS N N 8 117.904 117.904 118.514 -0.610 19285 3158 1 9 . 1 1 8 8 CYS HA H 8 4.053 4.053 3.615 0.438 19285 3159 1 9 . 1 1 8 8 CYS C C 8 175.681 175.681 176.443 -0.762 19285 3160 1 9 . 1 1 8 8 CYS CA C 8 62.437 62.437 63.517 -1.079 19285 3161 1 9 . 1 1 8 8 CYS CB C 8 26.416 26.416 27.512 -1.096 19285 3162 1 9 . 1 1 8 8 CYS H H 8 8.019 8.019 8.009 0.010 19285 3163 1 9 . 1 1 9 9 PHE N N 9 119.590 119.590 120.875 -1.285 19285 3164 1 9 . 1 1 9 9 PHE HA H 9 3.351 3.351 3.531 -0.180 19285 3165 1 9 . 1 1 9 9 PHE C C 9 175.681 175.681 176.693 -1.012 19285 3166 1 9 . 1 1 9 9 PHE CA C 9 62.181 62.181 61.765 0.416 19285 3167 1 9 . 1 1 9 9 PHE CB C 9 39.277 39.277 38.694 0.583 19285 3168 1 9 . 1 1 9 9 PHE H H 9 8.427 8.427 8.519 -0.092 19285 3169 1 9 . 1 1 10 10 ARG N N 10 114.910 114.910 117.387 -2.477 19285 3170 1 9 . 1 1 10 10 ARG HA H 10 3.953 3.953 3.820 0.133 19285 3171 1 9 . 1 1 10 10 ARG C C 10 178.486 178.486 177.997 0.489 19285 3172 1 9 . 1 1 10 10 ARG CA C 10 58.967 58.967 59.228 -0.261 19285 3173 1 9 . 1 1 10 10 ARG CB C 10 29.948 29.948 30.144 -0.196 19285 3174 1 9 . 1 1 10 10 ARG H H 10 7.558 7.558 7.743 -0.185 19285 3175 1 9 . 1 1 11 11 ILE N N 11 118.349 118.349 118.142 0.207 19285 3176 1 9 . 1 1 11 11 ILE HA H 11 3.582 3.582 3.767 -0.185 19285 3177 1 9 . 1 1 11 11 ILE C C 11 178.112 178.112 177.430 0.682 19285 3178 1 9 . 1 1 11 11 ILE CA C 11 63.622 63.622 64.061 -0.439 19285 3179 1 9 . 1 1 11 11 ILE CB C 11 37.340 37.340 38.326 -0.986 19285 3180 1 9 . 1 1 11 11 ILE H H 11 7.592 7.592 7.301 0.291 19285 3181 1 9 . 1 1 12 12 PHE N N 12 116.960 116.960 115.590 1.370 19285 3182 1 9 . 1 1 12 12 PHE HA H 12 4.477 4.477 4.310 0.167 19285 3183 1 9 . 1 1 12 12 PHE C C 12 176.714 176.714 176.652 0.062 19285 3184 1 9 . 1 1 12 12 PHE CA C 12 58.669 58.669 56.464 2.205 19285 3185 1 9 . 1 1 12 12 PHE CB C 12 39.165 39.165 38.761 0.404 19285 3186 1 9 . 1 1 12 12 PHE H H 12 7.554 7.554 7.625 -0.071 19285 3187 1 9 . 1 1 13 13 ASP N N 13 119.667 119.667 119.938 -0.271 19285 3188 1 9 . 1 1 13 13 ASP HA H 13 4.474 4.474 4.588 -0.114 19285 3189 1 9 . 1 1 13 13 ASP C C 13 176.772 176.772 176.527 0.245 19285 3190 1 9 . 1 1 13 13 ASP CA C 13 52.106 52.106 53.210 -1.104 19285 3191 1 9 . 1 1 13 13 ASP CB C 13 37.794 37.794 39.259 -1.465 19285 3192 1 9 . 1 1 13 13 ASP H H 13 7.725 7.725 7.875 -0.150 19285 3193 1 9 . 1 1 14 14 LYS N N 14 125.111 125.111 123.675 1.436 19285 3194 1 9 . 1 1 14 14 LYS HA H 14 3.933 3.933 4.010 -0.077 19285 3195 1 9 . 1 1 14 14 LYS C C 14 178.180 178.180 178.143 0.037 19285 3196 1 9 . 1 1 14 14 LYS CA C 14 59.277 59.277 58.655 0.622 19285 3197 1 9 . 1 1 14 14 LYS CB C 14 32.988 32.988 32.568 0.420 19285 3198 1 9 . 1 1 14 14 LYS H H 14 7.577 7.577 8.267 -0.690 19285 3199 1 9 . 1 1 15 15 ASP N N 15 114.010 114.010 117.631 -3.621 19285 3200 1 9 . 1 1 15 15 ASP HA H 15 4.588 4.588 4.498 0.090 19285 3201 1 9 . 1 1 15 15 ASP C C 15 177.680 177.680 177.464 0.216 19285 3202 1 9 . 1 1 15 15 ASP CA C 15 52.565 52.565 55.821 -3.256 19285 3203 1 9 . 1 1 15 15 ASP CB C 15 39.322 39.322 41.239 -1.917 19285 3204 1 9 . 1 1 15 15 ASP H H 15 8.032 8.032 8.610 -0.578 19285 3205 1 9 . 1 1 16 16 GLY N N 16 109.187 109.187 107.401 1.786 19285 3206 1 9 . 1 1 16 16 GLY C C 16 175.043 175.043 174.900 0.143 19285 3207 1 9 . 1 1 16 16 GLY CA C 16 47.001 47.001 45.419 1.582 19285 3208 1 9 . 1 1 16 16 GLY H H 16 7.713 7.713 8.609 -0.896 19285 3209 1 9 . 1 1 17 17 ASN N N 17 118.569 118.569 119.093 -0.524 19285 3210 1 9 . 1 1 17 17 ASN HA H 17 4.600 4.600 4.818 -0.218 19285 3211 1 9 . 1 1 17 17 ASN C C 17 176.026 176.026 176.620 -0.594 19285 3212 1 9 . 1 1 17 17 ASN CA C 17 52.265 52.265 51.980 0.285 19285 3213 1 9 . 1 1 17 17 ASN CB C 17 37.340 37.340 38.924 -1.584 19285 3214 1 9 . 1 1 17 17 ASN H H 17 8.118 8.118 8.101 0.017 19285 3215 1 9 . 1 1 18 18 GLY N N 18 112.477 112.477 107.715 4.762 19285 3216 1 9 . 1 1 18 18 GLY C C 18 172.479 172.479 172.894 -0.415 19285 3217 1 9 . 1 1 18 18 GLY CA C 18 45.110 45.110 45.499 -0.389 19285 3218 1 9 . 1 1 18 18 GLY H H 18 10.596 10.596 8.667 1.929 19285 3219 1 9 . 1 1 19 19 PHE N N 19 113.792 113.792 117.123 -3.331 19285 3220 1 9 . 1 1 19 19 PHE HA H 19 5.291 5.291 5.471 -0.180 19285 3221 1 9 . 1 1 19 19 PHE C C 19 173.646 173.646 174.970 -1.324 19285 3222 1 9 . 1 1 19 19 PHE CA C 19 55.516 55.516 56.679 -1.163 19285 3223 1 9 . 1 1 19 19 PHE CB C 19 43.196 43.196 43.057 0.139 19285 3224 1 9 . 1 1 19 19 PHE H H 19 7.500 7.500 8.482 -0.982 19285 3225 1 9 . 1 1 20 20 ILE N N 20 126.629 126.629 122.938 3.691 19285 3226 1 9 . 1 1 20 20 ILE HA H 20 5.051 5.051 4.724 0.327 19285 3227 1 9 . 1 1 20 20 ILE C C 20 175.764 175.764 175.798 -0.034 19285 3228 1 9 . 1 1 20 20 ILE CA C 20 58.933 58.933 59.473 -0.540 19285 3229 1 9 . 1 1 20 20 ILE CB C 20 37.846 37.846 37.891 -0.045 19285 3230 1 9 . 1 1 20 20 ILE H H 20 9.988 9.988 9.302 0.686 19285 3231 1 9 . 1 1 21 21 ASP N N 21 129.797 129.797 127.724 2.073 19285 3232 1 9 . 1 1 21 21 ASP HA H 21 5.124 5.124 5.111 0.013 19285 3233 1 9 . 1 1 21 21 ASP C C 21 175.686 175.686 177.226 -1.540 19285 3234 1 9 . 1 1 21 21 ASP CA C 21 52.214 52.214 52.972 -0.758 19285 3235 1 9 . 1 1 21 21 ASP CB C 21 41.907 41.907 43.728 -1.821 19285 3236 1 9 . 1 1 21 21 ASP H H 21 9.322 9.322 9.151 0.171 19285 3237 1 9 . 1 1 22 22 ARG N N 22 118.041 118.041 121.761 -3.720 19285 3238 1 9 . 1 1 22 22 ARG HA H 22 3.359 3.359 3.167 0.192 19285 3239 1 9 . 1 1 22 22 ARG C C 22 178.803 178.803 178.072 0.731 19285 3240 1 9 . 1 1 22 22 ARG CA C 22 58.193 58.193 60.290 -2.097 19285 3241 1 9 . 1 1 22 22 ARG CB C 22 28.264 28.264 29.815 -1.551 19285 3242 1 9 . 1 1 22 22 ARG H H 22 8.564 8.564 8.598 -0.034 19285 3243 1 9 . 1 1 23 23 GLU N N 23 122.771 122.771 117.533 5.238 19285 3244 1 9 . 1 1 23 23 GLU HA H 23 4.108 4.108 3.985 0.123 19285 3245 1 9 . 1 1 23 23 GLU C C 23 180.100 180.100 178.782 1.318 19285 3246 1 9 . 1 1 23 23 GLU CA C 23 59.392 59.392 59.824 -0.432 19285 3247 1 9 . 1 1 23 23 GLU CB C 23 28.950 28.950 29.247 -0.297 19285 3248 1 9 . 1 1 23 23 GLU H H 23 8.309 8.309 8.522 -0.213 19285 3249 1 9 . 1 1 24 24 GLU N N 24 122.272 122.272 119.765 2.507 19285 3250 1 9 . 1 1 24 24 GLU HA H 24 4.179 4.179 4.072 0.107 19285 3251 1 9 . 1 1 24 24 GLU C C 24 179.466 179.466 178.820 0.646 19285 3252 1 9 . 1 1 24 24 GLU CA C 24 58.237 58.237 58.947 -0.710 19285 3253 1 9 . 1 1 24 24 GLU CB C 24 30.455 30.455 29.495 0.960 19285 3254 1 9 . 1 1 24 24 GLU H H 24 9.062 9.062 8.190 0.872 19285 3255 1 9 . 1 1 25 25 PHE N N 25 118.985 118.985 121.616 -2.631 19285 3256 1 9 . 1 1 25 25 PHE HA H 25 4.050 4.050 4.262 -0.212 19285 3257 1 9 . 1 1 25 25 PHE C C 25 176.876 176.876 177.363 -0.487 19285 3258 1 9 . 1 1 25 25 PHE CA C 25 60.766 60.766 60.919 -0.153 19285 3259 1 9 . 1 1 25 25 PHE CB C 25 40.514 40.514 38.965 1.549 19285 3260 1 9 . 1 1 25 25 PHE H H 25 8.931 8.931 8.657 0.274 19285 3261 1 9 . 1 1 26 26 GLY N N 26 103.509 103.509 107.071 -3.562 19285 3262 1 9 . 1 1 26 26 GLY C C 26 175.475 175.475 175.821 -0.346 19285 3263 1 9 . 1 1 26 26 GLY CA C 26 47.163 47.163 47.343 -0.180 19285 3264 1 9 . 1 1 26 26 GLY H H 26 7.891 7.891 8.350 -0.459 19285 3265 1 9 . 1 1 27 27 ASP N N 27 119.470 119.470 122.622 -3.152 19285 3266 1 9 . 1 1 27 27 ASP HA H 27 4.545 4.545 4.394 0.151 19285 3267 1 9 . 1 1 27 27 ASP C C 27 177.555 177.555 178.596 -1.041 19285 3268 1 9 . 1 1 27 27 ASP CA C 27 56.657 56.657 56.797 -0.140 19285 3269 1 9 . 1 1 27 27 ASP CB C 27 40.521 40.521 40.425 0.096 19285 3270 1 9 . 1 1 27 27 ASP H H 27 7.492 7.492 7.661 -0.169 19285 3271 1 9 . 1 1 28 28 ILE N N 28 119.005 119.005 120.648 -1.643 19285 3272 1 9 . 1 1 28 28 ILE HA H 28 3.222 3.222 3.062 0.160 19285 3273 1 9 . 1 1 28 28 ILE C C 28 178.112 178.112 177.722 0.390 19285 3274 1 9 . 1 1 28 28 ILE CA C 28 63.693 63.693 64.894 -1.201 19285 3275 1 9 . 1 1 28 28 ILE CB C 28 36.967 36.967 37.561 -0.594 19285 3276 1 9 . 1 1 28 28 ILE H H 28 7.290 7.290 7.886 -0.596 19285 3277 1 9 . 1 1 29 29 ILE N N 29 118.036 118.036 120.048 -2.012 19285 3278 1 9 . 1 1 29 29 ILE HA H 29 3.792 3.792 3.464 0.328 19285 3279 1 9 . 1 1 29 29 ILE C C 29 178.396 178.396 178.267 0.129 19285 3280 1 9 . 1 1 29 29 ILE CA C 29 61.114 61.114 65.372 -4.258 19285 3281 1 9 . 1 1 29 29 ILE CB C 29 36.103 36.103 37.345 -1.242 19285 3282 1 9 . 1 1 29 29 ILE H H 29 7.217 7.217 7.774 -0.557 19285 3283 1 9 . 1 1 30 30 ARG N N 30 120.280 120.280 118.709 1.571 19285 3284 1 9 . 1 1 30 30 ARG HA H 30 4.165 4.165 4.024 0.141 19285 3285 1 9 . 1 1 30 30 ARG C C 30 178.243 178.243 179.106 -0.863 19285 3286 1 9 . 1 1 30 30 ARG CA C 30 58.528 58.528 59.046 -0.518 19285 3287 1 9 . 1 1 30 30 ARG CB C 30 29.873 29.873 30.195 -0.322 19285 3288 1 9 . 1 1 30 30 ARG H H 30 7.748 7.748 7.258 0.490 19285 3289 1 9 . 1 1 31 31 LEU N N 31 119.077 119.077 119.186 -0.109 19285 3290 1 9 . 1 1 31 31 LEU HA H 31 4.211 4.211 4.146 0.065 19285 3291 1 9 . 1 1 31 31 LEU C C 31 178.573 178.573 178.577 -0.004 19285 3292 1 9 . 1 1 31 31 LEU CA C 31 56.866 56.866 57.136 -0.270 19285 3293 1 9 . 1 1 31 31 LEU CB C 31 41.900 41.900 41.980 -0.080 19285 3294 1 9 . 1 1 31 31 LEU H H 31 7.614 7.614 8.044 -0.430 19285 3295 1 9 . 1 1 32 32 THR N N 32 108.038 108.038 107.610 0.428 19285 3296 1 9 . 1 1 32 32 THR HA H 32 4.346 4.346 4.370 -0.024 19285 3297 1 9 . 1 1 32 32 THR C C 32 175.796 175.796 175.789 0.007 19285 3298 1 9 . 1 1 32 32 THR CA C 32 62.532 62.532 62.136 0.397 19285 3299 1 9 . 1 1 32 32 THR CB C 32 70.251 70.251 69.898 0.353 19285 3300 1 9 . 1 1 32 32 THR H H 32 7.652 7.652 7.953 -0.301 19285 3301 1 9 . 1 1 33 33 GLY N N 33 109.261 109.261 111.112 -1.851 19285 3302 1 9 . 1 1 33 33 GLY C C 33 174.020 174.020 174.043 -0.023 19285 3303 1 9 . 1 1 33 33 GLY CA C 33 45.617 45.617 45.169 0.448 19285 3304 1 9 . 1 1 33 33 GLY H H 33 7.812 7.812 7.675 0.137 19285 3305 1 9 . 1 1 34 34 GLU N N 34 120.265 120.265 119.966 0.299 19285 3306 1 9 . 1 1 34 34 GLU HA H 34 4.264 4.264 4.564 -0.300 19285 3307 1 9 . 1 1 34 34 GLU C C 34 176.124 176.124 176.165 -0.041 19285 3308 1 9 . 1 1 34 34 GLU CA C 34 56.198 56.198 54.612 1.586 19285 3309 1 9 . 1 1 34 34 GLU CB C 34 30.221 30.221 31.068 -0.847 19285 3310 1 9 . 1 1 34 34 GLU H H 34 7.857 7.857 8.279 -0.422 19285 3311 1 9 . 1 1 35 35 GLN N N 35 122.159 122.159 120.982 1.177 19285 3312 1 9 . 1 1 35 35 GLN HA H 35 4.319 4.319 4.524 -0.205 19285 3313 1 9 . 1 1 35 35 GLN C C 35 174.957 174.957 175.120 -0.163 19285 3314 1 9 . 1 1 35 35 GLN CA C 35 55.489 55.489 55.106 0.383 19285 3315 1 9 . 1 1 35 35 GLN CB C 35 27.772 27.772 28.313 -0.541 19285 3316 1 9 . 1 1 35 35 GLN H H 35 8.683 8.683 8.469 0.214 19285 3317 1 9 . 1 1 36 36 LEU N N 36 124.703 124.703 125.184 -0.481 19285 3318 1 9 . 1 1 36 36 LEU HA H 36 4.764 4.764 4.769 -0.005 19285 3319 1 9 . 1 1 36 36 LEU C C 36 177.647 177.647 177.044 0.603 19285 3320 1 9 . 1 1 36 36 LEU CA C 36 53.868 53.868 53.530 0.338 19285 3321 1 9 . 1 1 36 36 LEU CB C 36 44.448 44.448 45.334 -0.886 19285 3322 1 9 . 1 1 36 36 LEU H H 36 7.790 7.790 8.231 -0.441 19285 3323 1 9 . 1 1 37 37 THR N N 37 114.475 114.475 113.061 1.414 19285 3324 1 9 . 1 1 37 37 THR HA H 37 4.485 4.485 4.514 -0.029 19285 3325 1 9 . 1 1 37 37 THR C C 37 175.339 175.339 175.154 0.185 19285 3326 1 9 . 1 1 37 37 THR CA C 37 60.591 60.591 60.574 0.017 19285 3327 1 9 . 1 1 37 37 THR CB C 37 71.227 71.227 70.915 0.312 19285 3328 1 9 . 1 1 37 37 THR H H 37 9.146 9.146 9.172 -0.026 19285 3329 1 9 . 1 1 38 38 ASP N N 38 120.839 120.839 121.125 -0.286 19285 3330 1 9 . 1 1 38 38 ASP HA H 38 4.255 4.255 4.370 -0.115 19285 3331 1 9 . 1 1 38 38 ASP C C 38 177.870 177.870 178.672 -0.802 19285 3332 1 9 . 1 1 38 38 ASP CA C 38 57.889 57.889 57.462 0.427 19285 3333 1 9 . 1 1 38 38 ASP CB C 38 39.895 39.895 40.309 -0.414 19285 3334 1 9 . 1 1 38 38 ASP H H 38 8.857 8.857 8.814 0.043 19285 3335 1 9 . 1 1 39 39 GLU N N 39 118.596 118.596 119.359 -0.763 19285 3336 1 9 . 1 1 39 39 GLU HA H 39 4.120 4.120 4.115 0.005 19285 3337 1 9 . 1 1 39 39 GLU C C 39 179.052 179.052 178.839 0.213 19285 3338 1 9 . 1 1 39 39 GLU CA C 39 59.662 59.662 59.135 0.527 19285 3339 1 9 . 1 1 39 39 GLU CB C 39 28.823 28.823 29.532 -0.709 19285 3340 1 9 . 1 1 39 39 GLU H H 39 8.389 8.389 8.617 -0.228 19285 3341 1 9 . 1 1 40 40 ASP N N 40 121.412 121.412 120.739 0.673 19285 3342 1 9 . 1 1 40 40 ASP HA H 40 4.460 4.460 4.496 -0.036 19285 3343 1 9 . 1 1 40 40 ASP C C 40 179.307 179.307 178.991 0.316 19285 3344 1 9 . 1 1 40 40 ASP CA C 40 57.164 57.164 57.300 -0.136 19285 3345 1 9 . 1 1 40 40 ASP CB C 40 41.229 41.229 40.485 0.744 19285 3346 1 9 . 1 1 40 40 ASP H H 40 7.768 7.768 7.927 -0.159 19285 3347 1 9 . 1 1 41 41 VAL N N 41 121.053 121.053 120.273 0.780 19285 3348 1 9 . 1 1 41 41 VAL HA H 41 3.605 3.605 3.857 -0.252 19285 3349 1 9 . 1 1 41 41 VAL C C 41 177.685 177.685 177.910 -0.225 19285 3350 1 9 . 1 1 41 41 VAL CA C 41 67.286 67.286 67.048 0.238 19285 3351 1 9 . 1 1 41 41 VAL CB C 41 31.498 31.498 31.865 -0.367 19285 3352 1 9 . 1 1 41 41 VAL H H 41 8.215 8.215 8.080 0.135 19285 3353 1 9 . 1 1 42 42 ASP N N 42 120.507 120.507 118.805 1.702 19285 3354 1 9 . 1 1 42 42 ASP HA H 42 4.213 4.213 4.453 -0.240 19285 3355 1 9 . 1 1 42 42 ASP C C 42 179.444 179.444 178.378 1.066 19285 3356 1 9 . 1 1 42 42 ASP CA C 42 57.744 57.744 57.603 0.141 19285 3357 1 9 . 1 1 42 42 ASP CB C 42 40.082 40.082 41.008 -0.926 19285 3358 1 9 . 1 1 42 42 ASP H H 42 8.527 8.527 7.747 0.780 19285 3359 1 9 . 1 1 43 43 GLU N N 43 121.091 121.091 120.298 0.793 19285 3360 1 9 . 1 1 43 43 GLU HA H 43 4.119 4.119 4.085 0.034 19285 3361 1 9 . 1 1 43 43 GLU C C 43 178.328 178.328 179.089 -0.761 19285 3362 1 9 . 1 1 43 43 GLU CA C 43 59.264 59.264 59.521 -0.257 19285 3363 1 9 . 1 1 43 43 GLU CB C 43 29.277 29.277 29.819 -0.542 19285 3364 1 9 . 1 1 43 43 GLU H H 43 7.758 7.758 8.116 -0.358 19285 3365 1 9 . 1 1 44 44 ILE N N 44 120.248 120.248 119.822 0.426 19285 3366 1 9 . 1 1 44 44 ILE HA H 44 3.957 3.957 3.766 0.191 19285 3367 1 9 . 1 1 44 44 ILE C C 44 179.412 179.412 177.974 1.438 19285 3368 1 9 . 1 1 44 44 ILE CA C 44 64.747 64.747 64.971 -0.224 19285 3369 1 9 . 1 1 44 44 ILE CB C 44 38.919 38.919 38.136 0.783 19285 3370 1 9 . 1 1 44 44 ILE H H 44 7.934 7.934 8.250 -0.316 19285 3371 1 9 . 1 1 45 45 PHE N N 45 124.028 124.028 121.363 2.665 19285 3372 1 9 . 1 1 45 45 PHE HA H 45 3.126 3.126 3.680 -0.554 19285 3373 1 9 . 1 1 45 45 PHE C C 45 176.732 176.732 177.369 -0.637 19285 3374 1 9 . 1 1 45 45 PHE CA C 45 62.039 62.039 61.301 0.738 19285 3375 1 9 . 1 1 45 45 PHE CB C 45 38.562 38.562 38.681 -0.119 19285 3376 1 9 . 1 1 45 45 PHE H H 45 9.019 9.019 8.333 0.686 19285 3377 1 9 . 1 1 46 46 GLY N N 46 104.229 104.229 105.860 -1.631 19285 3378 1 9 . 1 1 46 46 GLY C C 46 176.365 176.365 176.145 0.220 19285 3379 1 9 . 1 1 46 46 GLY CA C 46 47.055 47.055 47.124 -0.069 19285 3380 1 9 . 1 1 46 46 GLY H H 46 8.219 8.219 8.583 -0.364 19285 3381 1 9 . 1 1 47 47 ASP N N 47 119.686 119.686 121.788 -2.102 19285 3382 1 9 . 1 1 47 47 ASP HA H 47 4.343 4.343 4.446 -0.103 19285 3383 1 9 . 1 1 47 47 ASP C C 47 178.101 178.101 177.741 0.360 19285 3384 1 9 . 1 1 47 47 ASP CA C 47 56.235 56.235 56.487 -0.252 19285 3385 1 9 . 1 1 47 47 ASP CB C 47 40.558 40.558 40.390 0.168 19285 3386 1 9 . 1 1 47 47 ASP H H 47 8.106 8.106 8.007 0.099 19285 3387 1 9 . 1 1 48 48 SER N N 48 113.923 113.923 112.713 1.210 19285 3388 1 9 . 1 1 48 48 SER HA H 48 4.281 4.281 4.229 0.052 19285 3389 1 9 . 1 1 48 48 SER C C 48 173.432 173.432 174.287 -0.855 19285 3390 1 9 . 1 1 48 48 SER CA C 48 59.878 59.878 60.405 -0.527 19285 3391 1 9 . 1 1 48 48 SER CB C 48 63.709 63.709 63.566 0.143 19285 3392 1 9 . 1 1 48 48 SER H H 48 7.567 7.567 7.792 -0.225 19285 3393 1 9 . 1 1 49 49 ASP N N 49 121.595 121.595 121.885 -0.290 19285 3394 1 9 . 1 1 49 49 ASP HA H 49 4.424 4.424 4.678 -0.254 19285 3395 1 9 . 1 1 49 49 ASP C C 49 177.055 177.055 177.355 -0.300 19285 3396 1 9 . 1 1 49 49 ASP CA C 49 51.836 51.836 52.862 -1.026 19285 3397 1 9 . 1 1 49 49 ASP CB C 49 38.427 38.427 39.182 -0.756 19285 3398 1 9 . 1 1 49 49 ASP H H 49 7.323 7.323 7.591 -0.268 19285 3399 1 9 . 1 1 50 50 THR N N 50 119.204 119.204 120.275 -1.071 19285 3400 1 9 . 1 1 50 50 THR HA H 50 3.863 3.863 4.018 -0.155 19285 3401 1 9 . 1 1 50 50 THR C C 50 176.041 176.041 175.560 0.481 19285 3402 1 9 . 1 1 50 50 THR CA C 50 65.351 65.351 65.414 -0.063 19285 3403 1 9 . 1 1 50 50 THR CB C 50 68.597 68.597 68.990 -0.393 19285 3404 1 9 . 1 1 50 50 THR H H 50 7.841 7.841 8.184 -0.343 19285 3405 1 9 . 1 1 51 51 ASP N N 51 117.233 117.233 118.885 -1.652 19285 3406 1 9 . 1 1 51 51 ASP HA H 51 4.607 4.607 4.620 -0.013 19285 3407 1 9 . 1 1 51 51 ASP C C 51 175.994 175.994 175.379 0.615 19285 3408 1 9 . 1 1 51 51 ASP CA C 51 52.795 52.795 54.978 -2.183 19285 3409 1 9 . 1 1 51 51 ASP CB C 51 39.098 39.098 40.821 -1.723 19285 3410 1 9 . 1 1 51 51 ASP H H 51 7.972 7.972 8.386 -0.414 19285 3411 1 9 . 1 1 52 52 LYS N N 52 113.938 113.938 115.719 -1.781 19285 3412 1 9 . 1 1 52 52 LYS HA H 52 3.961 3.961 4.074 -0.113 19285 3413 1 9 . 1 1 52 52 LYS C C 52 176.126 176.126 175.745 0.381 19285 3414 1 9 . 1 1 52 52 LYS CA C 52 56.238 56.238 57.117 -0.879 19285 3415 1 9 . 1 1 52 52 LYS CB C 52 28.711 28.711 29.661 -0.950 19285 3416 1 9 . 1 1 52 52 LYS H H 52 7.729 7.729 7.896 -0.167 19285 3417 1 9 . 1 1 53 53 ASN N N 53 117.127 117.127 117.177 -0.050 19285 3418 1 9 . 1 1 53 53 ASN HA H 53 4.764 4.764 4.753 0.011 19285 3419 1 9 . 1 1 53 53 ASN C C 53 177.056 177.056 176.384 0.672 19285 3420 1 9 . 1 1 53 53 ASN CA C 53 51.626 51.626 52.324 -0.698 19285 3421 1 9 . 1 1 53 53 ASN CB C 53 37.742 37.742 38.998 -1.256 19285 3422 1 9 . 1 1 53 53 ASN H H 53 8.193 8.193 8.268 -0.075 19285 3423 1 9 . 1 1 54 54 GLY N N 54 113.327 113.327 109.911 3.416 19285 3424 1 9 . 1 1 54 54 GLY C C 54 172.983 172.983 173.544 -0.561 19285 3425 1 9 . 1 1 54 54 GLY CA C 54 45.671 45.671 45.447 0.225 19285 3426 1 9 . 1 1 54 54 GLY H H 54 10.782 10.782 9.025 1.757 19285 3427 1 9 . 1 1 55 55 ARG N N 55 115.634 115.634 118.433 -2.799 19285 3428 1 9 . 1 1 55 55 ARG HA H 55 4.826 4.826 5.145 -0.319 19285 3429 1 9 . 1 1 55 55 ARG C C 55 173.745 173.745 174.962 -1.217 19285 3430 1 9 . 1 1 55 55 ARG CA C 55 54.044 54.044 53.662 0.382 19285 3431 1 9 . 1 1 55 55 ARG CB C 55 33.457 33.457 33.723 -0.266 19285 3432 1 9 . 1 1 55 55 ARG H H 55 7.501 7.501 8.440 -0.939 19285 3433 1 9 . 1 1 56 56 ILE N N 56 127.446 127.446 123.339 4.107 19285 3434 1 9 . 1 1 56 56 ILE HA H 56 5.127 5.127 4.674 0.453 19285 3435 1 9 . 1 1 56 56 ILE C C 56 175.886 175.886 175.692 0.194 19285 3436 1 9 . 1 1 56 56 ILE CA C 56 58.892 58.892 60.785 -1.893 19285 3437 1 9 . 1 1 56 56 ILE CB C 56 36.907 36.907 39.406 -2.499 19285 3438 1 9 . 1 1 56 56 ILE H H 56 9.592 9.592 8.895 0.697 19285 3439 1 9 . 1 1 57 57 ASP N N 57 129.499 129.499 127.900 1.599 19285 3440 1 9 . 1 1 57 57 ASP HA H 57 5.185 5.185 4.977 0.208 19285 3441 1 9 . 1 1 57 57 ASP C C 57 175.630 175.630 177.239 -1.609 19285 3442 1 9 . 1 1 57 57 ASP CA C 57 52.329 52.329 53.283 -0.954 19285 3443 1 9 . 1 1 57 57 ASP CB C 57 42.175 42.175 43.279 -1.103 19285 3444 1 9 . 1 1 57 57 ASP H H 57 9.267 9.267 9.069 0.198 19285 3445 1 9 . 1 1 58 58 PHE N N 58 118.391 118.391 121.509 -3.118 19285 3446 1 9 . 1 1 58 58 PHE HA H 58 3.761 3.761 3.765 -0.004 19285 3447 1 9 . 1 1 58 58 PHE C C 58 176.306 176.306 176.435 -0.129 19285 3448 1 9 . 1 1 58 58 PHE CA C 58 61.806 61.806 61.902 -0.096 19285 3449 1 9 . 1 1 58 58 PHE CB C 58 38.539 38.539 38.816 -0.276 19285 3450 1 9 . 1 1 58 58 PHE H H 58 8.799 8.799 8.942 -0.143 19285 3451 1 9 . 1 1 59 59 ASP N N 59 118.077 118.077 116.729 1.348 19285 3452 1 9 . 1 1 59 59 ASP HA H 59 4.167 4.167 4.240 -0.073 19285 3453 1 9 . 1 1 59 59 ASP C C 59 179.808 179.808 178.768 1.040 19285 3454 1 9 . 1 1 59 59 ASP CA C 59 57.781 57.781 57.896 -0.115 19285 3455 1 9 . 1 1 59 59 ASP CB C 59 41.399 41.399 39.786 1.613 19285 3456 1 9 . 1 1 59 59 ASP H H 59 7.930 7.930 8.680 -0.750 19285 3457 1 9 . 1 1 60 60 GLU N N 60 117.047 117.047 119.527 -2.480 19285 3458 1 9 . 1 1 60 60 GLU HA H 60 3.967 3.967 4.031 -0.064 19285 3459 1 9 . 1 1 60 60 GLU C C 60 180.287 180.287 178.272 2.015 19285 3460 1 9 . 1 1 60 60 GLU CA C 60 58.326 58.326 59.053 -0.728 19285 3461 1 9 . 1 1 60 60 GLU CB C 60 29.925 29.925 29.471 0.454 19285 3462 1 9 . 1 1 60 60 GLU H H 60 7.331 7.331 8.314 -0.983 19285 3463 1 9 . 1 1 61 61 PHE N N 61 124.075 124.075 122.095 1.980 19285 3464 1 9 . 1 1 61 61 PHE HA H 61 4.155 4.155 4.261 -0.106 19285 3465 1 9 . 1 1 61 61 PHE C C 61 176.012 176.012 176.611 -0.599 19285 3466 1 9 . 1 1 61 61 PHE CA C 61 61.100 61.100 61.598 -0.498 19285 3467 1 9 . 1 1 61 61 PHE CB C 61 39.493 39.493 39.181 0.312 19285 3468 1 9 . 1 1 61 61 PHE H H 61 9.079 9.079 8.423 0.656 19285 3469 1 9 . 1 1 62 62 LEU N N 62 119.964 119.964 118.871 1.093 19285 3470 1 9 . 1 1 62 62 LEU HA H 62 3.501 3.501 3.601 -0.100 19285 3471 1 9 . 1 1 62 62 LEU C C 62 179.855 179.855 179.002 0.853 19285 3472 1 9 . 1 1 62 62 LEU CA C 62 58.109 58.109 58.017 0.093 19285 3473 1 9 . 1 1 62 62 LEU CB C 62 40.495 40.495 41.267 -0.772 19285 3474 1 9 . 1 1 62 62 LEU H H 62 8.416 8.416 8.313 0.103 19285 3475 1 9 . 1 1 63 63 LYS N N 63 121.221 121.221 118.539 2.682 19285 3476 1 9 . 1 1 63 63 LYS HA H 63 4.060 4.060 4.191 -0.131 19285 3477 1 9 . 1 1 63 63 LYS C C 63 178.875 178.875 179.182 -0.307 19285 3478 1 9 . 1 1 63 63 LYS CA C 63 58.288 58.288 58.959 -0.671 19285 3479 1 9 . 1 1 63 63 LYS CB C 63 31.683 31.683 32.373 -0.690 19285 3480 1 9 . 1 1 63 63 LYS H H 63 8.804 8.804 7.336 1.468 19285 3481 1 9 . 1 1 64 64 MET N N 64 119.896 119.896 121.017 -1.121 19285 3482 1 9 . 1 1 64 64 MET HA H 64 4.108 4.108 3.993 0.115 19285 3483 1 9 . 1 1 64 64 MET C C 64 178.427 178.427 177.371 1.056 19285 3484 1 9 . 1 1 64 64 MET CA C 64 58.374 58.374 58.813 -0.439 19285 3485 1 9 . 1 1 64 64 MET CB C 64 32.200 32.200 32.896 -0.696 19285 3486 1 9 . 1 1 64 64 MET H H 64 7.895 7.895 8.092 -0.197 19285 3487 1 9 . 1 1 65 65 MET N N 65 116.299 116.299 114.500 1.799 19285 3488 1 9 . 1 1 65 65 MET HA H 65 4.337 4.337 4.193 0.144 19285 3489 1 9 . 1 1 65 65 MET C C 65 178.184 178.184 179.255 -1.071 19285 3490 1 9 . 1 1 65 65 MET CA C 65 55.118 55.118 56.205 -1.087 19285 3491 1 9 . 1 1 65 65 MET CB C 65 30.790 30.790 30.875 -0.084 19285 3492 1 9 . 1 1 65 65 MET H H 65 7.859 7.859 8.068 -0.209 19285 3493 1 9 . 1 1 66 66 GLU N N 66 119.624 119.624 121.850 -2.226 19285 3494 1 9 . 1 1 66 66 GLU HA H 66 4.091 4.091 4.028 0.063 19285 3495 1 9 . 1 1 66 66 GLU C C 66 177.017 177.017 177.498 -0.481 19285 3496 1 9 . 1 1 66 66 GLU CA C 66 58.092 58.092 58.883 -0.791 19285 3497 1 9 . 1 1 66 66 GLU CB C 66 29.619 29.619 29.743 -0.124 19285 3498 1 9 . 1 1 66 66 GLU H H 66 7.568 7.568 7.973 -0.405 19285 3499 1 9 . 1 1 67 67 ASN N N 67 116.153 116.153 116.385 -0.232 19285 3500 1 9 . 1 1 67 67 ASN HA H 67 4.776 4.776 4.897 -0.121 19285 3501 1 9 . 1 1 67 67 ASN C C 67 175.231 175.231 174.324 0.907 19285 3502 1 9 . 1 1 67 67 ASN CA C 67 53.440 53.440 52.629 0.811 19285 3503 1 9 . 1 1 67 67 ASN CB C 67 39.284 39.284 38.797 0.487 19285 3504 1 9 . 1 1 67 67 ASN H H 67 7.819 7.819 7.783 0.036 19285 3505 1 9 . 1 1 68 68 VAL N N 68 119.217 119.217 120.019 -0.802 19285 3506 1 9 . 1 1 68 68 VAL HA H 68 4.147 4.147 3.939 0.208 19285 3507 1 9 . 1 1 68 68 VAL C C 68 175.101 175.101 176.288 -1.187 19285 3508 1 9 . 1 1 68 68 VAL CA C 68 62.576 62.576 63.258 -0.682 19285 3509 1 9 . 1 1 68 68 VAL CB C 68 32.250 32.250 32.826 -0.576 19285 3510 1 9 . 1 1 68 68 VAL H H 68 7.641 7.641 7.163 0.478 19285 3511 1 10 . 1 1 2 2 GLU N N 2 122.304 122.304 122.256 0.048 19285 3512 1 10 . 1 1 2 2 GLU HA H 2 4.059 4.059 3.986 0.073 19285 3513 1 10 . 1 1 2 2 GLU C C 2 178.560 178.560 178.467 0.093 19285 3514 1 10 . 1 1 2 2 GLU CA C 2 59.898 59.898 59.629 0.269 19285 3515 1 10 . 1 1 2 2 GLU CB C 2 29.215 29.215 29.435 -0.220 19285 3516 1 10 . 1 1 2 2 GLU H H 2 8.881 8.881 8.911 -0.030 19285 3517 1 10 . 1 1 3 3 GLU N N 3 120.033 120.033 119.662 0.371 19285 3518 1 10 . 1 1 3 3 GLU HA H 3 4.155 4.155 4.202 -0.047 19285 3519 1 10 . 1 1 3 3 GLU C C 3 179.048 179.048 179.026 0.022 19285 3520 1 10 . 1 1 3 3 GLU CA C 3 59.270 59.270 59.438 -0.168 19285 3521 1 10 . 1 1 3 3 GLU CB C 3 29.343 29.343 29.290 0.053 19285 3522 1 10 . 1 1 3 3 GLU H H 3 8.528 8.528 8.729 -0.201 19285 3523 1 10 . 1 1 4 4 GLU N N 4 120.958 120.958 119.660 1.298 19285 3524 1 10 . 1 1 4 4 GLU HA H 4 4.176 4.176 4.131 0.045 19285 3525 1 10 . 1 1 4 4 GLU C C 4 179.840 179.840 179.040 0.800 19285 3526 1 10 . 1 1 4 4 GLU CA C 4 58.953 58.953 59.321 -0.368 19285 3527 1 10 . 1 1 4 4 GLU CB C 4 29.586 29.586 29.567 0.019 19285 3528 1 10 . 1 1 4 4 GLU H H 4 8.101 8.101 8.406 -0.305 19285 3529 1 10 . 1 1 5 5 LEU N N 5 120.900 120.900 119.697 1.203 19285 3530 1 10 . 1 1 5 5 LEU HA H 5 4.395 4.395 4.282 0.113 19285 3531 1 10 . 1 1 5 5 LEU C C 5 179.432 179.432 178.986 0.446 19285 3532 1 10 . 1 1 5 5 LEU CA C 5 57.940 57.940 57.292 0.648 19285 3533 1 10 . 1 1 5 5 LEU CB C 5 41.647 41.647 41.792 -0.145 19285 3534 1 10 . 1 1 5 5 LEU H H 5 8.570 8.570 8.589 -0.019 19285 3535 1 10 . 1 1 6 6 SER N N 6 116.354 116.354 116.253 0.101 19285 3536 1 10 . 1 1 6 6 SER HA H 6 4.261 4.261 4.482 -0.221 19285 3537 1 10 . 1 1 6 6 SER C C 6 176.745 176.745 176.797 -0.052 19285 3538 1 10 . 1 1 6 6 SER CA C 6 61.992 61.992 62.191 -0.199 19285 3539 1 10 . 1 1 6 6 SER CB C 6 62.341 62.341 62.946 -0.605 19285 3540 1 10 . 1 1 6 6 SER H H 6 8.604 8.604 8.446 0.158 19285 3541 1 10 . 1 1 7 7 GLU N N 7 122.072 122.072 121.875 0.197 19285 3542 1 10 . 1 1 7 7 GLU HA H 7 4.190 4.190 4.093 0.097 19285 3543 1 10 . 1 1 7 7 GLU C C 7 178.189 178.189 178.983 -0.794 19285 3544 1 10 . 1 1 7 7 GLU CA C 7 58.831 58.831 59.329 -0.498 19285 3545 1 10 . 1 1 7 7 GLU CB C 7 28.965 28.965 29.595 -0.630 19285 3546 1 10 . 1 1 7 7 GLU H H 7 7.720 7.720 7.772 -0.052 19285 3547 1 10 . 1 1 8 8 CYS N N 8 117.904 117.904 118.616 -0.712 19285 3548 1 10 . 1 1 8 8 CYS HA H 8 4.053 4.053 3.656 0.397 19285 3549 1 10 . 1 1 8 8 CYS C C 8 175.681 175.681 176.376 -0.695 19285 3550 1 10 . 1 1 8 8 CYS CA C 8 62.437 62.437 63.466 -1.029 19285 3551 1 10 . 1 1 8 8 CYS CB C 8 26.416 26.416 27.429 -1.013 19285 3552 1 10 . 1 1 8 8 CYS H H 8 8.019 8.019 7.994 0.025 19285 3553 1 10 . 1 1 9 9 PHE N N 9 119.590 119.590 120.955 -1.365 19285 3554 1 10 . 1 1 9 9 PHE HA H 9 3.351 3.351 3.521 -0.170 19285 3555 1 10 . 1 1 9 9 PHE C C 9 175.681 175.681 176.716 -1.035 19285 3556 1 10 . 1 1 9 9 PHE CA C 9 62.181 62.181 61.727 0.454 19285 3557 1 10 . 1 1 9 9 PHE CB C 9 39.277 39.277 38.779 0.498 19285 3558 1 10 . 1 1 9 9 PHE H H 9 8.427 8.427 8.554 -0.127 19285 3559 1 10 . 1 1 10 10 ARG N N 10 114.910 114.910 119.280 -4.370 19285 3560 1 10 . 1 1 10 10 ARG HA H 10 3.953 3.953 3.806 0.147 19285 3561 1 10 . 1 1 10 10 ARG C C 10 178.486 178.486 178.079 0.407 19285 3562 1 10 . 1 1 10 10 ARG CA C 10 58.967 58.967 59.499 -0.532 19285 3563 1 10 . 1 1 10 10 ARG CB C 10 29.948 29.948 30.106 -0.158 19285 3564 1 10 . 1 1 10 10 ARG H H 10 7.558 7.558 7.711 -0.153 19285 3565 1 10 . 1 1 11 11 ILE N N 11 118.349 118.349 118.220 0.129 19285 3566 1 10 . 1 1 11 11 ILE HA H 11 3.582 3.582 3.745 -0.163 19285 3567 1 10 . 1 1 11 11 ILE C C 11 178.112 178.112 177.824 0.288 19285 3568 1 10 . 1 1 11 11 ILE CA C 11 63.622 63.622 64.418 -0.796 19285 3569 1 10 . 1 1 11 11 ILE CB C 11 37.340 37.340 38.204 -0.864 19285 3570 1 10 . 1 1 11 11 ILE H H 11 7.592 7.592 7.387 0.205 19285 3571 1 10 . 1 1 12 12 PHE N N 12 116.960 116.960 115.710 1.250 19285 3572 1 10 . 1 1 12 12 PHE HA H 12 4.477 4.477 4.279 0.198 19285 3573 1 10 . 1 1 12 12 PHE C C 12 176.714 176.714 176.723 -0.009 19285 3574 1 10 . 1 1 12 12 PHE CA C 12 58.669 58.669 56.422 2.247 19285 3575 1 10 . 1 1 12 12 PHE CB C 12 39.165 39.165 38.642 0.523 19285 3576 1 10 . 1 1 12 12 PHE H H 12 7.554 7.554 7.783 -0.229 19285 3577 1 10 . 1 1 13 13 ASP N N 13 119.667 119.667 119.842 -0.175 19285 3578 1 10 . 1 1 13 13 ASP HA H 13 4.474 4.474 4.398 0.076 19285 3579 1 10 . 1 1 13 13 ASP C C 13 176.772 176.772 176.119 0.653 19285 3580 1 10 . 1 1 13 13 ASP CA C 13 52.106 52.106 53.000 -0.894 19285 3581 1 10 . 1 1 13 13 ASP CB C 13 37.794 37.794 38.891 -1.097 19285 3582 1 10 . 1 1 13 13 ASP H H 13 7.725 7.725 7.944 -0.219 19285 3583 1 10 . 1 1 14 14 LYS N N 14 125.111 125.111 122.221 2.890 19285 3584 1 10 . 1 1 14 14 LYS HA H 14 3.933 3.933 4.068 -0.135 19285 3585 1 10 . 1 1 14 14 LYS C C 14 178.180 178.180 177.573 0.607 19285 3586 1 10 . 1 1 14 14 LYS CA C 14 59.277 59.277 58.251 1.026 19285 3587 1 10 . 1 1 14 14 LYS CB C 14 32.988 32.988 32.516 0.472 19285 3588 1 10 . 1 1 14 14 LYS H H 14 7.577 7.577 7.917 -0.340 19285 3589 1 10 . 1 1 15 15 ASP N N 15 114.010 114.010 115.644 -1.634 19285 3590 1 10 . 1 1 15 15 ASP HA H 15 4.588 4.588 4.618 -0.030 19285 3591 1 10 . 1 1 15 15 ASP C C 15 177.680 177.680 176.583 1.097 19285 3592 1 10 . 1 1 15 15 ASP CA C 15 52.565 52.565 53.889 -1.324 19285 3593 1 10 . 1 1 15 15 ASP CB C 15 39.322 39.322 41.019 -1.697 19285 3594 1 10 . 1 1 15 15 ASP H H 15 8.032 8.032 8.086 -0.054 19285 3595 1 10 . 1 1 16 16 GLY N N 16 109.187 109.187 107.993 1.194 19285 3596 1 10 . 1 1 16 16 GLY C C 16 175.043 175.043 175.040 0.003 19285 3597 1 10 . 1 1 16 16 GLY CA C 16 47.001 47.001 45.528 1.473 19285 3598 1 10 . 1 1 16 16 GLY H H 16 7.713 7.713 7.703 0.010 19285 3599 1 10 . 1 1 17 17 ASN N N 17 118.569 118.569 118.987 -0.418 19285 3600 1 10 . 1 1 17 17 ASN HA H 17 4.600 4.600 4.496 0.104 19285 3601 1 10 . 1 1 17 17 ASN C C 17 176.026 176.026 176.396 -0.370 19285 3602 1 10 . 1 1 17 17 ASN CA C 17 52.265 52.265 53.059 -0.794 19285 3603 1 10 . 1 1 17 17 ASN CB C 17 37.340 37.340 38.580 -1.240 19285 3604 1 10 . 1 1 17 17 ASN H H 17 8.118 8.118 8.524 -0.406 19285 3605 1 10 . 1 1 18 18 GLY N N 18 112.477 112.477 107.938 4.539 19285 3606 1 10 . 1 1 18 18 GLY C C 18 172.479 172.479 173.407 -0.928 19285 3607 1 10 . 1 1 18 18 GLY CA C 18 45.110 45.110 45.410 -0.300 19285 3608 1 10 . 1 1 18 18 GLY H H 18 10.596 10.596 8.819 1.777 19285 3609 1 10 . 1 1 19 19 PHE N N 19 113.792 113.792 113.226 0.566 19285 3610 1 10 . 1 1 19 19 PHE HA H 19 5.291 5.291 5.342 -0.051 19285 3611 1 10 . 1 1 19 19 PHE C C 19 173.646 173.646 173.128 0.518 19285 3612 1 10 . 1 1 19 19 PHE CA C 19 55.516 55.516 56.105 -0.589 19285 3613 1 10 . 1 1 19 19 PHE CB C 19 43.196 43.196 40.864 2.332 19285 3614 1 10 . 1 1 19 19 PHE H H 19 7.500 7.500 7.117 0.383 19285 3615 1 10 . 1 1 20 20 ILE N N 20 126.629 126.629 120.962 5.667 19285 3616 1 10 . 1 1 20 20 ILE HA H 20 5.051 5.051 4.397 0.654 19285 3617 1 10 . 1 1 20 20 ILE C C 20 175.764 175.764 174.960 0.804 19285 3618 1 10 . 1 1 20 20 ILE CA C 20 58.933 58.933 60.021 -1.088 19285 3619 1 10 . 1 1 20 20 ILE CB C 20 37.846 37.846 38.428 -0.582 19285 3620 1 10 . 1 1 20 20 ILE H H 20 9.988 9.988 8.935 1.053 19285 3621 1 10 . 1 1 21 21 ASP N N 21 129.797 129.797 127.496 2.301 19285 3622 1 10 . 1 1 21 21 ASP HA H 21 5.124 5.124 5.354 -0.230 19285 3623 1 10 . 1 1 21 21 ASP C C 21 175.686 175.686 177.420 -1.734 19285 3624 1 10 . 1 1 21 21 ASP CA C 21 52.214 52.214 52.264 -0.050 19285 3625 1 10 . 1 1 21 21 ASP CB C 21 41.907 41.907 44.203 -2.296 19285 3626 1 10 . 1 1 21 21 ASP H H 21 9.322 9.322 9.065 0.257 19285 3627 1 10 . 1 1 22 22 ARG N N 22 118.041 118.041 119.990 -1.949 19285 3628 1 10 . 1 1 22 22 ARG HA H 22 3.359 3.359 3.993 -0.634 19285 3629 1 10 . 1 1 22 22 ARG C C 22 178.803 178.803 178.490 0.313 19285 3630 1 10 . 1 1 22 22 ARG CA C 22 58.193 58.193 60.550 -2.357 19285 3631 1 10 . 1 1 22 22 ARG CB C 22 28.264 28.264 29.971 -1.707 19285 3632 1 10 . 1 1 22 22 ARG H H 22 8.564 8.564 8.553 0.011 19285 3633 1 10 . 1 1 23 23 GLU N N 23 122.771 122.771 119.319 3.452 19285 3634 1 10 . 1 1 23 23 GLU HA H 23 4.108 4.108 4.064 0.044 19285 3635 1 10 . 1 1 23 23 GLU C C 23 180.100 180.100 178.814 1.286 19285 3636 1 10 . 1 1 23 23 GLU CA C 23 59.392 59.392 59.685 -0.293 19285 3637 1 10 . 1 1 23 23 GLU CB C 23 28.950 28.950 29.162 -0.212 19285 3638 1 10 . 1 1 23 23 GLU H H 23 8.309 8.309 8.732 -0.423 19285 3639 1 10 . 1 1 24 24 GLU N N 24 122.272 122.272 119.741 2.531 19285 3640 1 10 . 1 1 24 24 GLU HA H 24 4.179 4.179 4.133 0.046 19285 3641 1 10 . 1 1 24 24 GLU C C 24 179.466 179.466 178.717 0.749 19285 3642 1 10 . 1 1 24 24 GLU CA C 24 58.237 58.237 59.503 -1.266 19285 3643 1 10 . 1 1 24 24 GLU CB C 24 30.455 30.455 29.138 1.317 19285 3644 1 10 . 1 1 24 24 GLU H H 24 9.062 9.062 8.543 0.519 19285 3645 1 10 . 1 1 25 25 PHE N N 25 118.985 118.985 121.058 -2.073 19285 3646 1 10 . 1 1 25 25 PHE HA H 25 4.050 4.050 4.233 -0.183 19285 3647 1 10 . 1 1 25 25 PHE C C 25 176.876 176.876 177.260 -0.384 19285 3648 1 10 . 1 1 25 25 PHE CA C 25 60.766 60.766 60.977 -0.211 19285 3649 1 10 . 1 1 25 25 PHE CB C 25 40.514 40.514 39.074 1.440 19285 3650 1 10 . 1 1 25 25 PHE H H 25 8.931 8.931 8.601 0.330 19285 3651 1 10 . 1 1 26 26 GLY N N 26 103.509 103.509 106.958 -3.449 19285 3652 1 10 . 1 1 26 26 GLY C C 26 175.475 175.475 175.837 -0.362 19285 3653 1 10 . 1 1 26 26 GLY CA C 26 47.163 47.163 47.454 -0.291 19285 3654 1 10 . 1 1 26 26 GLY H H 26 7.891 7.891 8.234 -0.343 19285 3655 1 10 . 1 1 27 27 ASP N N 27 119.470 119.470 122.395 -2.925 19285 3656 1 10 . 1 1 27 27 ASP HA H 27 4.545 4.545 4.413 0.132 19285 3657 1 10 . 1 1 27 27 ASP C C 27 177.555 177.555 178.520 -0.965 19285 3658 1 10 . 1 1 27 27 ASP CA C 27 56.657 56.657 56.675 -0.018 19285 3659 1 10 . 1 1 27 27 ASP CB C 27 40.521 40.521 40.468 0.053 19285 3660 1 10 . 1 1 27 27 ASP H H 27 7.492 7.492 7.384 0.108 19285 3661 1 10 . 1 1 28 28 ILE N N 28 119.005 119.005 120.768 -1.763 19285 3662 1 10 . 1 1 28 28 ILE HA H 28 3.222 3.222 3.070 0.152 19285 3663 1 10 . 1 1 28 28 ILE C C 28 178.112 178.112 177.665 0.447 19285 3664 1 10 . 1 1 28 28 ILE CA C 28 63.693 63.693 64.903 -1.210 19285 3665 1 10 . 1 1 28 28 ILE CB C 28 36.967 36.967 37.492 -0.525 19285 3666 1 10 . 1 1 28 28 ILE H H 28 7.290 7.290 7.838 -0.548 19285 3667 1 10 . 1 1 29 29 ILE N N 29 118.036 118.036 119.769 -1.733 19285 3668 1 10 . 1 1 29 29 ILE HA H 29 3.792 3.792 3.428 0.364 19285 3669 1 10 . 1 1 29 29 ILE C C 29 178.396 178.396 178.230 0.166 19285 3670 1 10 . 1 1 29 29 ILE CA C 29 61.114 61.114 65.722 -4.609 19285 3671 1 10 . 1 1 29 29 ILE CB C 29 36.103 36.103 37.404 -1.300 19285 3672 1 10 . 1 1 29 29 ILE H H 29 7.217 7.217 7.980 -0.763 19285 3673 1 10 . 1 1 30 30 ARG N N 30 120.280 120.280 118.641 1.639 19285 3674 1 10 . 1 1 30 30 ARG HA H 30 4.165 4.165 4.038 0.127 19285 3675 1 10 . 1 1 30 30 ARG C C 30 178.243 178.243 178.985 -0.742 19285 3676 1 10 . 1 1 30 30 ARG CA C 30 58.528 58.528 58.834 -0.306 19285 3677 1 10 . 1 1 30 30 ARG CB C 30 29.873 29.873 30.134 -0.261 19285 3678 1 10 . 1 1 30 30 ARG H H 30 7.748 7.748 7.323 0.425 19285 3679 1 10 . 1 1 31 31 LEU N N 31 119.077 119.077 119.418 -0.341 19285 3680 1 10 . 1 1 31 31 LEU HA H 31 4.211 4.211 4.116 0.095 19285 3681 1 10 . 1 1 31 31 LEU C C 31 178.573 178.573 178.659 -0.086 19285 3682 1 10 . 1 1 31 31 LEU CA C 31 56.866 56.866 57.208 -0.342 19285 3683 1 10 . 1 1 31 31 LEU CB C 31 41.900 41.900 41.964 -0.064 19285 3684 1 10 . 1 1 31 31 LEU H H 31 7.614 7.614 8.011 -0.397 19285 3685 1 10 . 1 1 32 32 THR N N 32 108.038 108.038 107.747 0.291 19285 3686 1 10 . 1 1 32 32 THR HA H 32 4.346 4.346 4.310 0.036 19285 3687 1 10 . 1 1 32 32 THR C C 32 175.796 175.796 175.822 -0.026 19285 3688 1 10 . 1 1 32 32 THR CA C 32 62.532 62.532 62.322 0.210 19285 3689 1 10 . 1 1 32 32 THR CB C 32 70.251 70.251 69.724 0.527 19285 3690 1 10 . 1 1 32 32 THR H H 32 7.652 7.652 8.064 -0.412 19285 3691 1 10 . 1 1 33 33 GLY N N 33 109.261 109.261 110.694 -1.433 19285 3692 1 10 . 1 1 33 33 GLY C C 33 174.020 174.020 174.116 -0.096 19285 3693 1 10 . 1 1 33 33 GLY CA C 33 45.617 45.617 45.120 0.497 19285 3694 1 10 . 1 1 33 33 GLY H H 33 7.812 7.812 7.596 0.216 19285 3695 1 10 . 1 1 34 34 GLU N N 34 120.265 120.265 120.079 0.186 19285 3696 1 10 . 1 1 34 34 GLU HA H 34 4.264 4.264 4.562 -0.298 19285 3697 1 10 . 1 1 34 34 GLU C C 34 176.124 176.124 176.359 -0.235 19285 3698 1 10 . 1 1 34 34 GLU CA C 34 56.198 56.198 54.564 1.634 19285 3699 1 10 . 1 1 34 34 GLU CB C 34 30.221 30.221 30.981 -0.760 19285 3700 1 10 . 1 1 34 34 GLU H H 34 7.857 7.857 8.355 -0.498 19285 3701 1 10 . 1 1 35 35 GLN N N 35 122.159 122.159 120.480 1.679 19285 3702 1 10 . 1 1 35 35 GLN HA H 35 4.319 4.319 4.524 -0.205 19285 3703 1 10 . 1 1 35 35 GLN C C 35 174.957 174.957 174.845 0.112 19285 3704 1 10 . 1 1 35 35 GLN CA C 35 55.489 55.489 54.949 0.540 19285 3705 1 10 . 1 1 35 35 GLN CB C 35 27.772 27.772 27.719 0.053 19285 3706 1 10 . 1 1 35 35 GLN H H 35 8.683 8.683 8.473 0.210 19285 3707 1 10 . 1 1 36 36 LEU N N 36 124.703 124.703 123.031 1.672 19285 3708 1 10 . 1 1 36 36 LEU HA H 36 4.764 4.764 4.618 0.146 19285 3709 1 10 . 1 1 36 36 LEU C C 36 177.647 177.647 176.719 0.928 19285 3710 1 10 . 1 1 36 36 LEU CA C 36 53.868 53.868 53.715 0.153 19285 3711 1 10 . 1 1 36 36 LEU CB C 36 44.448 44.448 44.353 0.095 19285 3712 1 10 . 1 1 36 36 LEU H H 36 7.790 7.790 7.931 -0.141 19285 3713 1 10 . 1 1 37 37 THR N N 37 114.475 114.475 112.030 2.445 19285 3714 1 10 . 1 1 37 37 THR HA H 37 4.485 4.485 4.659 -0.174 19285 3715 1 10 . 1 1 37 37 THR C C 37 175.339 175.339 175.005 0.334 19285 3716 1 10 . 1 1 37 37 THR CA C 37 60.591 60.591 59.875 0.716 19285 3717 1 10 . 1 1 37 37 THR CB C 37 71.227 71.227 71.520 -0.293 19285 3718 1 10 . 1 1 37 37 THR H H 37 9.146 9.146 9.133 0.013 19285 3719 1 10 . 1 1 38 38 ASP N N 38 120.839 120.839 119.948 0.891 19285 3720 1 10 . 1 1 38 38 ASP HA H 38 4.255 4.255 4.403 -0.148 19285 3721 1 10 . 1 1 38 38 ASP C C 38 177.870 177.870 178.408 -0.538 19285 3722 1 10 . 1 1 38 38 ASP CA C 38 57.889 57.889 57.283 0.606 19285 3723 1 10 . 1 1 38 38 ASP CB C 38 39.895 39.895 40.353 -0.458 19285 3724 1 10 . 1 1 38 38 ASP H H 38 8.857 8.857 8.822 0.035 19285 3725 1 10 . 1 1 39 39 GLU N N 39 118.596 118.596 118.561 0.035 19285 3726 1 10 . 1 1 39 39 GLU HA H 39 4.120 4.120 4.100 0.020 19285 3727 1 10 . 1 1 39 39 GLU C C 39 179.052 179.052 178.247 0.805 19285 3728 1 10 . 1 1 39 39 GLU CA C 39 59.662 59.662 58.983 0.679 19285 3729 1 10 . 1 1 39 39 GLU CB C 39 28.823 28.823 29.605 -0.782 19285 3730 1 10 . 1 1 39 39 GLU H H 39 8.389 8.389 8.030 0.359 19285 3731 1 10 . 1 1 40 40 ASP N N 40 121.412 121.412 120.000 1.412 19285 3732 1 10 . 1 1 40 40 ASP HA H 40 4.460 4.460 4.606 -0.146 19285 3733 1 10 . 1 1 40 40 ASP C C 40 179.307 179.307 178.723 0.584 19285 3734 1 10 . 1 1 40 40 ASP CA C 40 57.164 57.164 56.908 0.256 19285 3735 1 10 . 1 1 40 40 ASP CB C 40 41.229 41.229 41.069 0.160 19285 3736 1 10 . 1 1 40 40 ASP H H 40 7.768 7.768 7.490 0.278 19285 3737 1 10 . 1 1 41 41 VAL N N 41 121.053 121.053 121.586 -0.533 19285 3738 1 10 . 1 1 41 41 VAL HA H 41 3.605 3.605 3.852 -0.247 19285 3739 1 10 . 1 1 41 41 VAL C C 41 177.685 177.685 177.934 -0.249 19285 3740 1 10 . 1 1 41 41 VAL CA C 41 67.286 67.286 67.026 0.260 19285 3741 1 10 . 1 1 41 41 VAL CB C 41 31.498 31.498 31.900 -0.402 19285 3742 1 10 . 1 1 41 41 VAL H H 41 8.215 8.215 8.376 -0.161 19285 3743 1 10 . 1 1 42 42 ASP N N 42 120.507 120.507 119.259 1.248 19285 3744 1 10 . 1 1 42 42 ASP HA H 42 4.213 4.213 4.425 -0.212 19285 3745 1 10 . 1 1 42 42 ASP C C 42 179.444 179.444 178.769 0.675 19285 3746 1 10 . 1 1 42 42 ASP CA C 42 57.744 57.744 57.621 0.123 19285 3747 1 10 . 1 1 42 42 ASP CB C 42 40.082 40.082 40.236 -0.154 19285 3748 1 10 . 1 1 42 42 ASP H H 42 8.527 8.527 8.168 0.359 19285 3749 1 10 . 1 1 43 43 GLU N N 43 121.091 121.091 120.910 0.181 19285 3750 1 10 . 1 1 43 43 GLU HA H 43 4.119 4.119 4.084 0.035 19285 3751 1 10 . 1 1 43 43 GLU C C 43 178.328 178.328 178.977 -0.649 19285 3752 1 10 . 1 1 43 43 GLU CA C 43 59.264 59.264 59.459 -0.195 19285 3753 1 10 . 1 1 43 43 GLU CB C 43 29.277 29.277 29.740 -0.463 19285 3754 1 10 . 1 1 43 43 GLU H H 43 7.758 7.758 7.724 0.034 19285 3755 1 10 . 1 1 44 44 ILE N N 44 120.248 120.248 119.918 0.330 19285 3756 1 10 . 1 1 44 44 ILE HA H 44 3.957 3.957 3.689 0.268 19285 3757 1 10 . 1 1 44 44 ILE C C 44 179.412 179.412 177.847 1.565 19285 3758 1 10 . 1 1 44 44 ILE CA C 44 64.747 64.747 65.222 -0.475 19285 3759 1 10 . 1 1 44 44 ILE CB C 44 38.919 38.919 38.055 0.864 19285 3760 1 10 . 1 1 44 44 ILE H H 44 7.934 7.934 8.105 -0.171 19285 3761 1 10 . 1 1 45 45 PHE N N 45 124.028 124.028 121.062 2.966 19285 3762 1 10 . 1 1 45 45 PHE HA H 45 3.126 3.126 3.969 -0.843 19285 3763 1 10 . 1 1 45 45 PHE C C 45 176.732 176.732 177.519 -0.787 19285 3764 1 10 . 1 1 45 45 PHE CA C 45 62.039 62.039 61.553 0.485 19285 3765 1 10 . 1 1 45 45 PHE CB C 45 38.562 38.562 38.747 -0.185 19285 3766 1 10 . 1 1 45 45 PHE H H 45 9.019 9.019 8.483 0.536 19285 3767 1 10 . 1 1 46 46 GLY N N 46 104.229 104.229 106.487 -2.258 19285 3768 1 10 . 1 1 46 46 GLY C C 46 176.365 176.365 175.344 1.021 19285 3769 1 10 . 1 1 46 46 GLY CA C 46 47.055 47.055 46.901 0.154 19285 3770 1 10 . 1 1 46 46 GLY H H 46 8.219 8.219 8.259 -0.040 19285 3771 1 10 . 1 1 47 47 ASP N N 47 119.686 119.686 120.008 -0.322 19285 3772 1 10 . 1 1 47 47 ASP HA H 47 4.343 4.343 4.488 -0.145 19285 3773 1 10 . 1 1 47 47 ASP C C 47 178.101 178.101 177.629 0.472 19285 3774 1 10 . 1 1 47 47 ASP CA C 47 56.235 56.235 56.080 0.155 19285 3775 1 10 . 1 1 47 47 ASP CB C 47 40.558 40.558 40.846 -0.288 19285 3776 1 10 . 1 1 47 47 ASP H H 47 8.106 8.106 7.918 0.188 19285 3777 1 10 . 1 1 48 48 SER N N 48 113.923 113.923 112.677 1.246 19285 3778 1 10 . 1 1 48 48 SER HA H 48 4.281 4.281 4.288 -0.007 19285 3779 1 10 . 1 1 48 48 SER C C 48 173.432 173.432 174.396 -0.964 19285 3780 1 10 . 1 1 48 48 SER CA C 48 59.878 59.878 60.409 -0.531 19285 3781 1 10 . 1 1 48 48 SER CB C 48 63.709 63.709 63.723 -0.014 19285 3782 1 10 . 1 1 48 48 SER H H 48 7.567 7.567 7.906 -0.339 19285 3783 1 10 . 1 1 49 49 ASP N N 49 121.595 121.595 121.628 -0.033 19285 3784 1 10 . 1 1 49 49 ASP HA H 49 4.424 4.424 4.810 -0.386 19285 3785 1 10 . 1 1 49 49 ASP C C 49 177.055 177.055 176.720 0.335 19285 3786 1 10 . 1 1 49 49 ASP CA C 49 51.836 51.836 53.336 -1.500 19285 3787 1 10 . 1 1 49 49 ASP CB C 49 38.427 38.427 39.471 -1.044 19285 3788 1 10 . 1 1 49 49 ASP H H 49 7.323 7.323 7.694 -0.371 19285 3789 1 10 . 1 1 50 50 THR N N 50 119.204 119.204 114.793 4.411 19285 3790 1 10 . 1 1 50 50 THR HA H 50 3.863 3.863 4.178 -0.315 19285 3791 1 10 . 1 1 50 50 THR C C 50 176.041 176.041 175.691 0.350 19285 3792 1 10 . 1 1 50 50 THR CA C 50 65.351 65.351 63.714 1.637 19285 3793 1 10 . 1 1 50 50 THR CB C 50 68.597 68.597 69.201 -0.604 19285 3794 1 10 . 1 1 50 50 THR H H 50 7.841 7.841 7.684 0.157 19285 3795 1 10 . 1 1 51 51 ASP N N 51 117.233 117.233 121.017 -3.784 19285 3796 1 10 . 1 1 51 51 ASP HA H 51 4.607 4.607 4.672 -0.065 19285 3797 1 10 . 1 1 51 51 ASP C C 51 175.994 175.994 175.243 0.751 19285 3798 1 10 . 1 1 51 51 ASP CA C 51 52.795 52.795 54.605 -1.810 19285 3799 1 10 . 1 1 51 51 ASP CB C 51 39.098 39.098 40.702 -1.603 19285 3800 1 10 . 1 1 51 51 ASP H H 51 7.972 7.972 8.345 -0.373 19285 3801 1 10 . 1 1 52 52 LYS N N 52 113.938 113.938 115.386 -1.448 19285 3802 1 10 . 1 1 52 52 LYS HA H 52 3.961 3.961 3.933 0.028 19285 3803 1 10 . 1 1 52 52 LYS C C 52 176.126 176.126 175.655 0.471 19285 3804 1 10 . 1 1 52 52 LYS CA C 52 56.238 56.238 57.166 -0.928 19285 3805 1 10 . 1 1 52 52 LYS CB C 52 28.711 28.711 29.484 -0.773 19285 3806 1 10 . 1 1 52 52 LYS H H 52 7.729 7.729 7.802 -0.073 19285 3807 1 10 . 1 1 53 53 ASN N N 53 117.127 117.127 116.547 0.580 19285 3808 1 10 . 1 1 53 53 ASN HA H 53 4.764 4.764 4.737 0.027 19285 3809 1 10 . 1 1 53 53 ASN C C 53 177.056 177.056 175.870 1.186 19285 3810 1 10 . 1 1 53 53 ASN CA C 53 51.626 51.626 52.534 -0.908 19285 3811 1 10 . 1 1 53 53 ASN CB C 53 37.742 37.742 39.094 -1.352 19285 3812 1 10 . 1 1 53 53 ASN H H 53 8.193 8.193 8.366 -0.173 19285 3813 1 10 . 1 1 54 54 GLY N N 54 113.327 113.327 109.096 4.231 19285 3814 1 10 . 1 1 54 54 GLY C C 54 172.983 172.983 173.104 -0.121 19285 3815 1 10 . 1 1 54 54 GLY CA C 54 45.671 45.671 45.611 0.060 19285 3816 1 10 . 1 1 54 54 GLY H H 54 10.782 10.782 8.740 2.042 19285 3817 1 10 . 1 1 55 55 ARG N N 55 115.634 115.634 114.793 0.841 19285 3818 1 10 . 1 1 55 55 ARG HA H 55 4.826 4.826 4.773 0.053 19285 3819 1 10 . 1 1 55 55 ARG C C 55 173.745 173.745 173.932 -0.187 19285 3820 1 10 . 1 1 55 55 ARG CA C 55 54.044 54.044 54.632 -0.588 19285 3821 1 10 . 1 1 55 55 ARG CB C 55 33.457 33.457 32.543 0.914 19285 3822 1 10 . 1 1 55 55 ARG H H 55 7.501 7.501 8.195 -0.694 19285 3823 1 10 . 1 1 56 56 ILE N N 56 127.446 127.446 121.882 5.564 19285 3824 1 10 . 1 1 56 56 ILE HA H 56 5.127 5.127 4.739 0.388 19285 3825 1 10 . 1 1 56 56 ILE C C 56 175.886 175.886 175.630 0.256 19285 3826 1 10 . 1 1 56 56 ILE CA C 56 58.892 58.892 58.600 0.292 19285 3827 1 10 . 1 1 56 56 ILE CB C 56 36.907 36.907 36.892 0.014 19285 3828 1 10 . 1 1 56 56 ILE H H 56 9.592 9.592 8.885 0.707 19285 3829 1 10 . 1 1 57 57 ASP N N 57 129.499 129.499 128.558 0.941 19285 3830 1 10 . 1 1 57 57 ASP HA H 57 5.185 5.185 4.883 0.302 19285 3831 1 10 . 1 1 57 57 ASP C C 57 175.630 175.630 177.117 -1.487 19285 3832 1 10 . 1 1 57 57 ASP CA C 57 52.329 52.329 53.551 -1.222 19285 3833 1 10 . 1 1 57 57 ASP CB C 57 42.175 42.175 43.156 -0.981 19285 3834 1 10 . 1 1 57 57 ASP H H 57 9.267 9.267 8.901 0.366 19285 3835 1 10 . 1 1 58 58 PHE N N 58 118.391 118.391 121.985 -3.594 19285 3836 1 10 . 1 1 58 58 PHE HA H 58 3.761 3.761 3.855 -0.094 19285 3837 1 10 . 1 1 58 58 PHE C C 58 176.306 176.306 176.639 -0.333 19285 3838 1 10 . 1 1 58 58 PHE CA C 58 61.806 61.806 62.565 -0.759 19285 3839 1 10 . 1 1 58 58 PHE CB C 58 38.539 38.539 39.225 -0.686 19285 3840 1 10 . 1 1 58 58 PHE H H 58 8.799 8.799 9.044 -0.245 19285 3841 1 10 . 1 1 59 59 ASP N N 59 118.077 118.077 118.567 -0.490 19285 3842 1 10 . 1 1 59 59 ASP HA H 59 4.167 4.167 4.257 -0.090 19285 3843 1 10 . 1 1 59 59 ASP C C 59 179.808 179.808 178.538 1.270 19285 3844 1 10 . 1 1 59 59 ASP CA C 59 57.781 57.781 57.734 0.047 19285 3845 1 10 . 1 1 59 59 ASP CB C 59 41.399 41.399 39.666 1.733 19285 3846 1 10 . 1 1 59 59 ASP H H 59 7.930 7.930 8.824 -0.894 19285 3847 1 10 . 1 1 60 60 GLU N N 60 117.047 117.047 119.726 -2.679 19285 3848 1 10 . 1 1 60 60 GLU HA H 60 3.967 3.967 4.047 -0.080 19285 3849 1 10 . 1 1 60 60 GLU C C 60 180.287 180.287 178.539 1.748 19285 3850 1 10 . 1 1 60 60 GLU CA C 60 58.326 58.326 59.134 -0.808 19285 3851 1 10 . 1 1 60 60 GLU CB C 60 29.925 29.925 29.571 0.354 19285 3852 1 10 . 1 1 60 60 GLU H H 60 7.331 7.331 8.372 -1.041 19285 3853 1 10 . 1 1 61 61 PHE N N 61 124.075 124.075 122.068 2.007 19285 3854 1 10 . 1 1 61 61 PHE HA H 61 4.155 4.155 4.308 -0.153 19285 3855 1 10 . 1 1 61 61 PHE C C 61 176.012 176.012 176.586 -0.574 19285 3856 1 10 . 1 1 61 61 PHE CA C 61 61.100 61.100 61.563 -0.463 19285 3857 1 10 . 1 1 61 61 PHE CB C 61 39.493 39.493 39.214 0.279 19285 3858 1 10 . 1 1 61 61 PHE H H 61 9.079 9.079 8.557 0.522 19285 3859 1 10 . 1 1 62 62 LEU N N 62 119.964 119.964 119.547 0.417 19285 3860 1 10 . 1 1 62 62 LEU HA H 62 3.501 3.501 3.573 -0.072 19285 3861 1 10 . 1 1 62 62 LEU C C 62 179.855 179.855 178.942 0.913 19285 3862 1 10 . 1 1 62 62 LEU CA C 62 58.109 58.109 58.089 0.020 19285 3863 1 10 . 1 1 62 62 LEU CB C 62 40.495 40.495 41.248 -0.753 19285 3864 1 10 . 1 1 62 62 LEU H H 62 8.416 8.416 8.399 0.017 19285 3865 1 10 . 1 1 63 63 LYS N N 63 121.221 121.221 118.311 2.910 19285 3866 1 10 . 1 1 63 63 LYS HA H 63 4.060 4.060 4.035 0.025 19285 3867 1 10 . 1 1 63 63 LYS C C 63 178.875 178.875 179.193 -0.318 19285 3868 1 10 . 1 1 63 63 LYS CA C 63 58.288 58.288 59.010 -0.722 19285 3869 1 10 . 1 1 63 63 LYS CB C 63 31.683 31.683 32.395 -0.712 19285 3870 1 10 . 1 1 63 63 LYS H H 63 8.804 8.804 7.650 1.154 19285 3871 1 10 . 1 1 64 64 MET N N 64 119.896 119.896 120.839 -0.943 19285 3872 1 10 . 1 1 64 64 MET HA H 64 4.108 4.108 4.035 0.073 19285 3873 1 10 . 1 1 64 64 MET C C 64 178.427 178.427 177.193 1.234 19285 3874 1 10 . 1 1 64 64 MET CA C 64 58.374 58.374 58.746 -0.372 19285 3875 1 10 . 1 1 64 64 MET CB C 64 32.200 32.200 32.973 -0.773 19285 3876 1 10 . 1 1 64 64 MET H H 64 7.895 7.895 8.027 -0.132 19285 3877 1 10 . 1 1 65 65 MET N N 65 116.299 116.299 114.323 1.976 19285 3878 1 10 . 1 1 65 65 MET HA H 65 4.337 4.337 4.205 0.132 19285 3879 1 10 . 1 1 65 65 MET C C 65 178.184 178.184 179.332 -1.148 19285 3880 1 10 . 1 1 65 65 MET CA C 65 55.118 55.118 56.318 -1.200 19285 3881 1 10 . 1 1 65 65 MET CB C 65 30.790 30.790 31.027 -0.237 19285 3882 1 10 . 1 1 65 65 MET H H 65 7.859 7.859 7.999 -0.140 19285 3883 1 10 . 1 1 66 66 GLU N N 66 119.624 119.624 121.683 -2.059 19285 3884 1 10 . 1 1 66 66 GLU HA H 66 4.091 4.091 4.033 0.058 19285 3885 1 10 . 1 1 66 66 GLU C C 66 177.017 177.017 177.535 -0.518 19285 3886 1 10 . 1 1 66 66 GLU CA C 66 58.092 58.092 58.882 -0.790 19285 3887 1 10 . 1 1 66 66 GLU CB C 66 29.619 29.619 29.766 -0.147 19285 3888 1 10 . 1 1 66 66 GLU H H 66 7.568 7.568 7.983 -0.415 19285 3889 1 10 . 1 1 67 67 ASN N N 67 116.153 116.153 116.237 -0.084 19285 3890 1 10 . 1 1 67 67 ASN HA H 67 4.776 4.776 4.896 -0.120 19285 3891 1 10 . 1 1 67 67 ASN C C 67 175.231 175.231 174.327 0.904 19285 3892 1 10 . 1 1 67 67 ASN CA C 67 53.440 53.440 52.674 0.766 19285 3893 1 10 . 1 1 67 67 ASN CB C 67 39.284 39.284 38.970 0.314 19285 3894 1 10 . 1 1 67 67 ASN H H 67 7.819 7.819 7.908 -0.089 19285 3895 1 10 . 1 1 68 68 VAL N N 68 119.217 119.217 121.609 -2.392 19285 3896 1 10 . 1 1 68 68 VAL HA H 68 4.147 4.147 4.008 0.139 19285 3897 1 10 . 1 1 68 68 VAL C C 68 175.101 175.101 176.825 -1.724 19285 3898 1 10 . 1 1 68 68 VAL CA C 68 62.576 62.576 62.722 -0.146 19285 3899 1 10 . 1 1 68 68 VAL CB C 68 32.250 32.250 33.036 -0.786 19285 3900 1 10 . 1 1 68 68 VAL H H 68 7.641 7.641 7.170 0.471 19285 3901 1 11 . 1 1 2 2 GLU N N 2 122.304 122.304 122.995 -0.691 19285 3902 1 11 . 1 1 2 2 GLU HA H 2 4.059 4.059 4.107 -0.048 19285 3903 1 11 . 1 1 2 2 GLU C C 2 178.560 178.560 178.323 0.237 19285 3904 1 11 . 1 1 2 2 GLU CA C 2 59.898 59.898 59.044 0.854 19285 3905 1 11 . 1 1 2 2 GLU CB C 2 29.215 29.215 29.383 -0.168 19285 3906 1 11 . 1 1 2 2 GLU H H 2 8.881 8.881 8.873 0.008 19285 3907 1 11 . 1 1 3 3 GLU N N 3 120.033 120.033 119.662 0.371 19285 3908 1 11 . 1 1 3 3 GLU HA H 3 4.155 4.155 4.071 0.084 19285 3909 1 11 . 1 1 3 3 GLU C C 3 179.048 179.048 178.920 0.128 19285 3910 1 11 . 1 1 3 3 GLU CA C 3 59.270 59.270 59.639 -0.368 19285 3911 1 11 . 1 1 3 3 GLU CB C 3 29.343 29.343 29.463 -0.120 19285 3912 1 11 . 1 1 3 3 GLU H H 3 8.528 8.528 8.768 -0.240 19285 3913 1 11 . 1 1 4 4 GLU N N 4 120.958 120.958 119.130 1.828 19285 3914 1 11 . 1 1 4 4 GLU HA H 4 4.176 4.176 4.199 -0.023 19285 3915 1 11 . 1 1 4 4 GLU C C 4 179.840 179.840 179.147 0.693 19285 3916 1 11 . 1 1 4 4 GLU CA C 4 58.953 58.953 58.502 0.451 19285 3917 1 11 . 1 1 4 4 GLU CB C 4 29.586 29.586 29.873 -0.287 19285 3918 1 11 . 1 1 4 4 GLU H H 4 8.101 8.101 7.657 0.444 19285 3919 1 11 . 1 1 5 5 LEU N N 5 120.900 120.900 120.274 0.626 19285 3920 1 11 . 1 1 5 5 LEU HA H 5 4.395 4.395 4.257 0.138 19285 3921 1 11 . 1 1 5 5 LEU C C 5 179.432 179.432 179.000 0.432 19285 3922 1 11 . 1 1 5 5 LEU CA C 5 57.940 57.940 57.759 0.181 19285 3923 1 11 . 1 1 5 5 LEU CB C 5 41.647 41.647 41.809 -0.162 19285 3924 1 11 . 1 1 5 5 LEU H H 5 8.570 8.570 8.228 0.342 19285 3925 1 11 . 1 1 6 6 SER N N 6 116.354 116.354 114.707 1.647 19285 3926 1 11 . 1 1 6 6 SER HA H 6 4.261 4.261 4.522 -0.261 19285 3927 1 11 . 1 1 6 6 SER C C 6 176.745 176.745 176.980 -0.235 19285 3928 1 11 . 1 1 6 6 SER CA C 6 61.992 61.992 61.537 0.455 19285 3929 1 11 . 1 1 6 6 SER CB C 6 62.341 62.341 63.109 -0.768 19285 3930 1 11 . 1 1 6 6 SER H H 6 8.604 8.604 8.690 -0.086 19285 3931 1 11 . 1 1 7 7 GLU N N 7 122.072 122.072 123.143 -1.071 19285 3932 1 11 . 1 1 7 7 GLU HA H 7 4.190 4.190 4.272 -0.082 19285 3933 1 11 . 1 1 7 7 GLU C C 7 178.189 178.189 178.732 -0.543 19285 3934 1 11 . 1 1 7 7 GLU CA C 7 58.831 58.831 58.968 -0.137 19285 3935 1 11 . 1 1 7 7 GLU CB C 7 28.965 28.965 29.648 -0.682 19285 3936 1 11 . 1 1 7 7 GLU H H 7 7.720 7.720 7.534 0.186 19285 3937 1 11 . 1 1 8 8 CYS N N 8 117.904 117.904 119.442 -1.538 19285 3938 1 11 . 1 1 8 8 CYS HA H 8 4.053 4.053 4.114 -0.061 19285 3939 1 11 . 1 1 8 8 CYS C C 8 175.681 175.681 177.037 -1.356 19285 3940 1 11 . 1 1 8 8 CYS CA C 8 62.437 62.437 64.214 -1.777 19285 3941 1 11 . 1 1 8 8 CYS CB C 8 26.416 26.416 27.994 -1.578 19285 3942 1 11 . 1 1 8 8 CYS H H 8 8.019 8.019 8.124 -0.105 19285 3943 1 11 . 1 1 9 9 PHE N N 9 119.590 119.590 120.520 -0.930 19285 3944 1 11 . 1 1 9 9 PHE HA H 9 3.351 3.351 3.325 0.026 19285 3945 1 11 . 1 1 9 9 PHE C C 9 175.681 175.681 176.766 -1.085 19285 3946 1 11 . 1 1 9 9 PHE CA C 9 62.181 62.181 62.024 0.157 19285 3947 1 11 . 1 1 9 9 PHE CB C 9 39.277 39.277 38.913 0.364 19285 3948 1 11 . 1 1 9 9 PHE H H 9 8.427 8.427 8.861 -0.434 19285 3949 1 11 . 1 1 10 10 ARG N N 10 114.910 114.910 117.773 -2.863 19285 3950 1 11 . 1 1 10 10 ARG HA H 10 3.953 3.953 3.886 0.067 19285 3951 1 11 . 1 1 10 10 ARG C C 10 178.486 178.486 178.406 0.080 19285 3952 1 11 . 1 1 10 10 ARG CA C 10 58.967 58.967 59.209 -0.242 19285 3953 1 11 . 1 1 10 10 ARG CB C 10 29.948 29.948 30.154 -0.206 19285 3954 1 11 . 1 1 10 10 ARG H H 10 7.558 7.558 7.593 -0.035 19285 3955 1 11 . 1 1 11 11 ILE N N 11 118.349 118.349 118.713 -0.364 19285 3956 1 11 . 1 1 11 11 ILE HA H 11 3.582 3.582 3.609 -0.027 19285 3957 1 11 . 1 1 11 11 ILE C C 11 178.112 178.112 177.243 0.869 19285 3958 1 11 . 1 1 11 11 ILE CA C 11 63.622 63.622 64.393 -0.771 19285 3959 1 11 . 1 1 11 11 ILE CB C 11 37.340 37.340 37.861 -0.521 19285 3960 1 11 . 1 1 11 11 ILE H H 11 7.592 7.592 7.380 0.212 19285 3961 1 11 . 1 1 12 12 PHE N N 12 116.960 116.960 114.842 2.118 19285 3962 1 11 . 1 1 12 12 PHE HA H 12 4.477 4.477 4.300 0.177 19285 3963 1 11 . 1 1 12 12 PHE C C 12 176.714 176.714 176.419 0.295 19285 3964 1 11 . 1 1 12 12 PHE CA C 12 58.669 58.669 58.871 -0.202 19285 3965 1 11 . 1 1 12 12 PHE CB C 12 39.165 39.165 39.314 -0.149 19285 3966 1 11 . 1 1 12 12 PHE H H 12 7.554 7.554 7.435 0.119 19285 3967 1 11 . 1 1 13 13 ASP N N 13 119.667 119.667 119.830 -0.163 19285 3968 1 11 . 1 1 13 13 ASP HA H 13 4.474 4.474 4.650 -0.176 19285 3969 1 11 . 1 1 13 13 ASP C C 13 176.772 176.772 176.012 0.760 19285 3970 1 11 . 1 1 13 13 ASP CA C 13 52.106 52.106 52.436 -0.330 19285 3971 1 11 . 1 1 13 13 ASP CB C 13 37.794 37.794 38.452 -0.658 19285 3972 1 11 . 1 1 13 13 ASP H H 13 7.725 7.725 8.043 -0.318 19285 3973 1 11 . 1 1 14 14 LYS N N 14 125.111 125.111 121.496 3.615 19285 3974 1 11 . 1 1 14 14 LYS HA H 14 3.933 3.933 4.059 -0.126 19285 3975 1 11 . 1 1 14 14 LYS C C 14 178.180 178.180 177.720 0.460 19285 3976 1 11 . 1 1 14 14 LYS CA C 14 59.277 59.277 58.266 1.011 19285 3977 1 11 . 1 1 14 14 LYS CB C 14 32.988 32.988 32.554 0.434 19285 3978 1 11 . 1 1 14 14 LYS H H 14 7.577 7.577 7.942 -0.365 19285 3979 1 11 . 1 1 15 15 ASP N N 15 114.010 114.010 115.979 -1.969 19285 3980 1 11 . 1 1 15 15 ASP HA H 15 4.588 4.588 4.612 -0.024 19285 3981 1 11 . 1 1 15 15 ASP C C 15 177.680 177.680 176.697 0.983 19285 3982 1 11 . 1 1 15 15 ASP CA C 15 52.565 52.565 54.251 -1.686 19285 3983 1 11 . 1 1 15 15 ASP CB C 15 39.322 39.322 41.006 -1.684 19285 3984 1 11 . 1 1 15 15 ASP H H 15 8.032 8.032 7.730 0.302 19285 3985 1 11 . 1 1 16 16 GLY N N 16 109.187 109.187 107.765 1.422 19285 3986 1 11 . 1 1 16 16 GLY C C 16 175.043 175.043 175.051 -0.008 19285 3987 1 11 . 1 1 16 16 GLY CA C 16 47.001 47.001 45.605 1.396 19285 3988 1 11 . 1 1 16 16 GLY H H 16 7.713 7.713 7.592 0.121 19285 3989 1 11 . 1 1 17 17 ASN N N 17 118.569 118.569 118.860 -0.291 19285 3990 1 11 . 1 1 17 17 ASN HA H 17 4.600 4.600 4.558 0.042 19285 3991 1 11 . 1 1 17 17 ASN C C 17 176.026 176.026 176.340 -0.314 19285 3992 1 11 . 1 1 17 17 ASN CA C 17 52.265 52.265 53.024 -0.759 19285 3993 1 11 . 1 1 17 17 ASN CB C 17 37.340 37.340 38.670 -1.330 19285 3994 1 11 . 1 1 17 17 ASN H H 17 8.118 8.118 8.627 -0.509 19285 3995 1 11 . 1 1 18 18 GLY N N 18 112.477 112.477 108.064 4.413 19285 3996 1 11 . 1 1 18 18 GLY C C 18 172.479 172.479 173.270 -0.791 19285 3997 1 11 . 1 1 18 18 GLY CA C 18 45.110 45.110 45.594 -0.484 19285 3998 1 11 . 1 1 18 18 GLY H H 18 10.596 10.596 8.853 1.743 19285 3999 1 11 . 1 1 19 19 PHE N N 19 113.792 113.792 112.790 1.002 19285 4000 1 11 . 1 1 19 19 PHE HA H 19 5.291 5.291 5.334 -0.043 19285 4001 1 11 . 1 1 19 19 PHE C C 19 173.646 173.646 173.125 0.521 19285 4002 1 11 . 1 1 19 19 PHE CA C 19 55.516 55.516 55.649 -0.133 19285 4003 1 11 . 1 1 19 19 PHE CB C 19 43.196 43.196 41.289 1.907 19285 4004 1 11 . 1 1 19 19 PHE H H 19 7.500 7.500 6.940 0.560 19285 4005 1 11 . 1 1 20 20 ILE N N 20 126.629 126.629 121.635 4.994 19285 4006 1 11 . 1 1 20 20 ILE HA H 20 5.051 5.051 4.802 0.249 19285 4007 1 11 . 1 1 20 20 ILE C C 20 175.764 175.764 175.864 -0.100 19285 4008 1 11 . 1 1 20 20 ILE CA C 20 58.933 58.933 59.557 -0.624 19285 4009 1 11 . 1 1 20 20 ILE CB C 20 37.846 37.846 37.775 0.071 19285 4010 1 11 . 1 1 20 20 ILE H H 20 9.988 9.988 9.053 0.935 19285 4011 1 11 . 1 1 21 21 ASP N N 21 129.797 129.797 127.865 1.932 19285 4012 1 11 . 1 1 21 21 ASP HA H 21 5.124 5.124 5.213 -0.089 19285 4013 1 11 . 1 1 21 21 ASP C C 21 175.686 175.686 177.723 -2.037 19285 4014 1 11 . 1 1 21 21 ASP CA C 21 52.214 52.214 52.816 -0.602 19285 4015 1 11 . 1 1 21 21 ASP CB C 21 41.907 41.907 43.806 -1.899 19285 4016 1 11 . 1 1 21 21 ASP H H 21 9.322 9.322 9.128 0.194 19285 4017 1 11 . 1 1 22 22 ARG N N 22 118.041 118.041 120.735 -2.694 19285 4018 1 11 . 1 1 22 22 ARG HA H 22 3.359 3.359 3.645 -0.286 19285 4019 1 11 . 1 1 22 22 ARG C C 22 178.803 178.803 178.549 0.254 19285 4020 1 11 . 1 1 22 22 ARG CA C 22 58.193 58.193 60.730 -2.537 19285 4021 1 11 . 1 1 22 22 ARG CB C 22 28.264 28.264 29.890 -1.626 19285 4022 1 11 . 1 1 22 22 ARG H H 22 8.564 8.564 8.786 -0.222 19285 4023 1 11 . 1 1 23 23 GLU N N 23 122.771 122.771 119.076 3.695 19285 4024 1 11 . 1 1 23 23 GLU HA H 23 4.108 4.108 4.087 0.021 19285 4025 1 11 . 1 1 23 23 GLU C C 23 180.100 180.100 178.940 1.160 19285 4026 1 11 . 1 1 23 23 GLU CA C 23 59.392 59.392 59.550 -0.158 19285 4027 1 11 . 1 1 23 23 GLU CB C 23 28.950 28.950 29.174 -0.224 19285 4028 1 11 . 1 1 23 23 GLU H H 23 8.309 8.309 8.843 -0.534 19285 4029 1 11 . 1 1 24 24 GLU N N 24 122.272 122.272 119.175 3.097 19285 4030 1 11 . 1 1 24 24 GLU HA H 24 4.179 4.179 4.226 -0.047 19285 4031 1 11 . 1 1 24 24 GLU C C 24 179.466 179.466 178.740 0.726 19285 4032 1 11 . 1 1 24 24 GLU CA C 24 58.237 58.237 58.587 -0.350 19285 4033 1 11 . 1 1 24 24 GLU CB C 24 30.455 30.455 29.496 0.959 19285 4034 1 11 . 1 1 24 24 GLU H H 24 9.062 9.062 8.453 0.609 19285 4035 1 11 . 1 1 25 25 PHE N N 25 118.985 118.985 122.010 -3.025 19285 4036 1 11 . 1 1 25 25 PHE HA H 25 4.050 4.050 4.263 -0.213 19285 4037 1 11 . 1 1 25 25 PHE C C 25 176.876 176.876 177.160 -0.284 19285 4038 1 11 . 1 1 25 25 PHE CA C 25 60.766 60.766 60.703 0.063 19285 4039 1 11 . 1 1 25 25 PHE CB C 25 40.514 40.514 39.181 1.333 19285 4040 1 11 . 1 1 25 25 PHE H H 25 8.931 8.931 8.681 0.250 19285 4041 1 11 . 1 1 26 26 GLY N N 26 103.509 103.509 107.428 -3.919 19285 4042 1 11 . 1 1 26 26 GLY C C 26 175.475 175.475 175.858 -0.383 19285 4043 1 11 . 1 1 26 26 GLY CA C 26 47.163 47.163 47.452 -0.289 19285 4044 1 11 . 1 1 26 26 GLY H H 26 7.891 7.891 8.318 -0.427 19285 4045 1 11 . 1 1 27 27 ASP N N 27 119.470 119.470 122.180 -2.710 19285 4046 1 11 . 1 1 27 27 ASP HA H 27 4.545 4.545 4.513 0.032 19285 4047 1 11 . 1 1 27 27 ASP C C 27 177.555 177.555 178.606 -1.051 19285 4048 1 11 . 1 1 27 27 ASP CA C 27 56.657 56.657 56.886 -0.229 19285 4049 1 11 . 1 1 27 27 ASP CB C 27 40.521 40.521 40.516 0.005 19285 4050 1 11 . 1 1 27 27 ASP H H 27 7.492 7.492 7.532 -0.040 19285 4051 1 11 . 1 1 28 28 ILE N N 28 119.005 119.005 119.806 -0.801 19285 4052 1 11 . 1 1 28 28 ILE HA H 28 3.222 3.222 3.298 -0.076 19285 4053 1 11 . 1 1 28 28 ILE C C 28 178.112 178.112 177.807 0.305 19285 4054 1 11 . 1 1 28 28 ILE CA C 28 63.693 63.693 64.803 -1.110 19285 4055 1 11 . 1 1 28 28 ILE CB C 28 36.967 36.967 37.748 -0.781 19285 4056 1 11 . 1 1 28 28 ILE H H 28 7.290 7.290 7.266 0.024 19285 4057 1 11 . 1 1 29 29 ILE N N 29 118.036 118.036 115.749 2.287 19285 4058 1 11 . 1 1 29 29 ILE HA H 29 3.792 3.792 3.980 -0.188 19285 4059 1 11 . 1 1 29 29 ILE C C 29 178.396 178.396 177.433 0.963 19285 4060 1 11 . 1 1 29 29 ILE CA C 29 61.114 61.114 63.487 -2.373 19285 4061 1 11 . 1 1 29 29 ILE CB C 29 36.103 36.103 37.401 -1.298 19285 4062 1 11 . 1 1 29 29 ILE H H 29 7.217 7.217 7.874 -0.657 19285 4063 1 11 . 1 1 30 30 ARG N N 30 120.280 120.280 121.241 -0.961 19285 4064 1 11 . 1 1 30 30 ARG HA H 30 4.165 4.165 4.098 0.067 19285 4065 1 11 . 1 1 30 30 ARG C C 30 178.243 178.243 178.558 -0.315 19285 4066 1 11 . 1 1 30 30 ARG CA C 30 58.528 58.528 59.560 -1.032 19285 4067 1 11 . 1 1 30 30 ARG CB C 30 29.873 29.873 30.472 -0.599 19285 4068 1 11 . 1 1 30 30 ARG H H 30 7.748 7.748 7.555 0.193 19285 4069 1 11 . 1 1 31 31 LEU N N 31 119.077 119.077 117.760 1.317 19285 4070 1 11 . 1 1 31 31 LEU HA H 31 4.211 4.211 4.349 -0.138 19285 4071 1 11 . 1 1 31 31 LEU C C 31 178.573 178.573 178.529 0.044 19285 4072 1 11 . 1 1 31 31 LEU CA C 31 56.866 56.866 56.580 0.286 19285 4073 1 11 . 1 1 31 31 LEU CB C 31 41.900 41.900 42.654 -0.754 19285 4074 1 11 . 1 1 31 31 LEU H H 31 7.614 7.614 7.806 -0.192 19285 4075 1 11 . 1 1 32 32 THR N N 32 108.038 108.038 109.801 -1.763 19285 4076 1 11 . 1 1 32 32 THR HA H 32 4.346 4.346 4.381 -0.035 19285 4077 1 11 . 1 1 32 32 THR C C 32 175.796 175.796 175.715 0.081 19285 4078 1 11 . 1 1 32 32 THR CA C 32 62.532 62.532 61.937 0.596 19285 4079 1 11 . 1 1 32 32 THR CB C 32 70.251 70.251 69.475 0.776 19285 4080 1 11 . 1 1 32 32 THR H H 32 7.652 7.652 7.679 -0.027 19285 4081 1 11 . 1 1 33 33 GLY N N 33 109.261 109.261 110.227 -0.966 19285 4082 1 11 . 1 1 33 33 GLY C C 33 174.020 174.020 174.376 -0.356 19285 4083 1 11 . 1 1 33 33 GLY CA C 33 45.617 45.617 45.298 0.319 19285 4084 1 11 . 1 1 33 33 GLY H H 33 7.812 7.812 7.839 -0.027 19285 4085 1 11 . 1 1 34 34 GLU N N 34 120.265 120.265 120.359 -0.094 19285 4086 1 11 . 1 1 34 34 GLU HA H 34 4.264 4.264 4.525 -0.261 19285 4087 1 11 . 1 1 34 34 GLU C C 34 176.124 176.124 175.699 0.425 19285 4088 1 11 . 1 1 34 34 GLU CA C 34 56.198 56.198 54.537 1.661 19285 4089 1 11 . 1 1 34 34 GLU CB C 34 30.221 30.221 30.541 -0.320 19285 4090 1 11 . 1 1 34 34 GLU H H 34 7.857 7.857 8.406 -0.549 19285 4091 1 11 . 1 1 35 35 GLN N N 35 122.159 122.159 123.361 -1.202 19285 4092 1 11 . 1 1 35 35 GLN HA H 35 4.319 4.319 4.456 -0.137 19285 4093 1 11 . 1 1 35 35 GLN C C 35 174.957 174.957 175.320 -0.363 19285 4094 1 11 . 1 1 35 35 GLN CA C 35 55.489 55.489 55.044 0.445 19285 4095 1 11 . 1 1 35 35 GLN CB C 35 27.772 27.772 28.110 -0.338 19285 4096 1 11 . 1 1 35 35 GLN H H 35 8.683 8.683 8.580 0.103 19285 4097 1 11 . 1 1 36 36 LEU N N 36 124.703 124.703 125.672 -0.969 19285 4098 1 11 . 1 1 36 36 LEU HA H 36 4.764 4.764 4.665 0.099 19285 4099 1 11 . 1 1 36 36 LEU C C 36 177.647 177.647 177.442 0.205 19285 4100 1 11 . 1 1 36 36 LEU CA C 36 53.868 53.868 53.582 0.286 19285 4101 1 11 . 1 1 36 36 LEU CB C 36 44.448 44.448 44.110 0.338 19285 4102 1 11 . 1 1 36 36 LEU H H 36 7.790 7.790 8.193 -0.403 19285 4103 1 11 . 1 1 37 37 THR N N 37 114.475 114.475 113.054 1.421 19285 4104 1 11 . 1 1 37 37 THR HA H 37 4.485 4.485 4.493 -0.008 19285 4105 1 11 . 1 1 37 37 THR C C 37 175.339 175.339 175.234 0.105 19285 4106 1 11 . 1 1 37 37 THR CA C 37 60.591 60.591 60.580 0.011 19285 4107 1 11 . 1 1 37 37 THR CB C 37 71.227 71.227 70.882 0.345 19285 4108 1 11 . 1 1 37 37 THR H H 37 9.146 9.146 8.480 0.666 19285 4109 1 11 . 1 1 38 38 ASP N N 38 120.839 120.839 120.114 0.725 19285 4110 1 11 . 1 1 38 38 ASP HA H 38 4.255 4.255 4.363 -0.108 19285 4111 1 11 . 1 1 38 38 ASP C C 38 177.870 177.870 178.501 -0.631 19285 4112 1 11 . 1 1 38 38 ASP CA C 38 57.889 57.889 57.436 0.453 19285 4113 1 11 . 1 1 38 38 ASP CB C 38 39.895 39.895 40.431 -0.536 19285 4114 1 11 . 1 1 38 38 ASP H H 38 8.857 8.857 8.823 0.034 19285 4115 1 11 . 1 1 39 39 GLU N N 39 118.596 118.596 119.292 -0.696 19285 4116 1 11 . 1 1 39 39 GLU HA H 39 4.120 4.120 4.129 -0.009 19285 4117 1 11 . 1 1 39 39 GLU C C 39 179.052 179.052 178.412 0.640 19285 4118 1 11 . 1 1 39 39 GLU CA C 39 59.662 59.662 58.943 0.719 19285 4119 1 11 . 1 1 39 39 GLU CB C 39 28.823 28.823 29.790 -0.967 19285 4120 1 11 . 1 1 39 39 GLU H H 39 8.389 8.389 7.917 0.472 19285 4121 1 11 . 1 1 40 40 ASP N N 40 121.412 121.412 120.703 0.709 19285 4122 1 11 . 1 1 40 40 ASP HA H 40 4.460 4.460 4.490 -0.030 19285 4123 1 11 . 1 1 40 40 ASP C C 40 179.307 179.307 178.999 0.308 19285 4124 1 11 . 1 1 40 40 ASP CA C 40 57.164 57.164 57.225 -0.061 19285 4125 1 11 . 1 1 40 40 ASP CB C 40 41.229 41.229 40.579 0.650 19285 4126 1 11 . 1 1 40 40 ASP H H 40 7.768 7.768 7.869 -0.101 19285 4127 1 11 . 1 1 41 41 VAL N N 41 121.053 121.053 120.212 0.841 19285 4128 1 11 . 1 1 41 41 VAL HA H 41 3.605 3.605 3.854 -0.249 19285 4129 1 11 . 1 1 41 41 VAL C C 41 177.685 177.685 177.921 -0.236 19285 4130 1 11 . 1 1 41 41 VAL CA C 41 67.286 67.286 66.893 0.393 19285 4131 1 11 . 1 1 41 41 VAL CB C 41 31.498 31.498 31.880 -0.382 19285 4132 1 11 . 1 1 41 41 VAL H H 41 8.215 8.215 8.404 -0.189 19285 4133 1 11 . 1 1 42 42 ASP N N 42 120.507 120.507 120.134 0.373 19285 4134 1 11 . 1 1 42 42 ASP HA H 42 4.213 4.213 4.410 -0.197 19285 4135 1 11 . 1 1 42 42 ASP C C 42 179.444 179.444 179.049 0.395 19285 4136 1 11 . 1 1 42 42 ASP CA C 42 57.744 57.744 57.532 0.212 19285 4137 1 11 . 1 1 42 42 ASP CB C 42 40.082 40.082 40.266 -0.184 19285 4138 1 11 . 1 1 42 42 ASP H H 42 8.527 8.527 7.737 0.790 19285 4139 1 11 . 1 1 43 43 GLU N N 43 121.091 121.091 120.298 0.793 19285 4140 1 11 . 1 1 43 43 GLU HA H 43 4.119 4.119 4.085 0.034 19285 4141 1 11 . 1 1 43 43 GLU C C 43 178.328 178.328 179.206 -0.878 19285 4142 1 11 . 1 1 43 43 GLU CA C 43 59.264 59.264 59.504 -0.240 19285 4143 1 11 . 1 1 43 43 GLU CB C 43 29.277 29.277 29.894 -0.617 19285 4144 1 11 . 1 1 43 43 GLU H H 43 7.758 7.758 8.220 -0.462 19285 4145 1 11 . 1 1 44 44 ILE N N 44 120.248 120.248 120.355 -0.107 19285 4146 1 11 . 1 1 44 44 ILE HA H 44 3.957 3.957 3.917 0.040 19285 4147 1 11 . 1 1 44 44 ILE C C 44 179.412 179.412 177.972 1.440 19285 4148 1 11 . 1 1 44 44 ILE CA C 44 64.747 64.747 65.027 -0.280 19285 4149 1 11 . 1 1 44 44 ILE CB C 44 38.919 38.919 38.173 0.746 19285 4150 1 11 . 1 1 44 44 ILE H H 44 7.934 7.934 8.072 -0.138 19285 4151 1 11 . 1 1 45 45 PHE N N 45 124.028 124.028 121.152 2.876 19285 4152 1 11 . 1 1 45 45 PHE HA H 45 3.126 3.126 3.666 -0.540 19285 4153 1 11 . 1 1 45 45 PHE C C 45 176.732 176.732 177.713 -0.981 19285 4154 1 11 . 1 1 45 45 PHE CA C 45 62.039 62.039 61.116 0.923 19285 4155 1 11 . 1 1 45 45 PHE CB C 45 38.562 38.562 38.661 -0.099 19285 4156 1 11 . 1 1 45 45 PHE H H 45 9.019 9.019 8.340 0.679 19285 4157 1 11 . 1 1 46 46 GLY N N 46 104.229 104.229 105.709 -1.480 19285 4158 1 11 . 1 1 46 46 GLY C C 46 176.365 176.365 176.073 0.292 19285 4159 1 11 . 1 1 46 46 GLY CA C 46 47.055 47.055 46.982 0.073 19285 4160 1 11 . 1 1 46 46 GLY H H 46 8.219 8.219 8.347 -0.128 19285 4161 1 11 . 1 1 47 47 ASP N N 47 119.686 119.686 121.431 -1.745 19285 4162 1 11 . 1 1 47 47 ASP HA H 47 4.343 4.343 4.463 -0.120 19285 4163 1 11 . 1 1 47 47 ASP C C 47 178.101 178.101 177.711 0.390 19285 4164 1 11 . 1 1 47 47 ASP CA C 47 56.235 56.235 56.620 -0.385 19285 4165 1 11 . 1 1 47 47 ASP CB C 47 40.558 40.558 40.550 0.007 19285 4166 1 11 . 1 1 47 47 ASP H H 47 8.106 8.106 8.158 -0.052 19285 4167 1 11 . 1 1 48 48 SER N N 48 113.923 113.923 111.824 2.099 19285 4168 1 11 . 1 1 48 48 SER HA H 48 4.281 4.281 4.176 0.105 19285 4169 1 11 . 1 1 48 48 SER C C 48 173.432 173.432 174.955 -1.523 19285 4170 1 11 . 1 1 48 48 SER CA C 48 59.878 59.878 59.912 -0.034 19285 4171 1 11 . 1 1 48 48 SER CB C 48 63.709 63.709 63.415 0.294 19285 4172 1 11 . 1 1 48 48 SER H H 48 7.567 7.567 7.848 -0.281 19285 4173 1 11 . 1 1 49 49 ASP N N 49 121.595 121.595 123.992 -2.397 19285 4174 1 11 . 1 1 49 49 ASP HA H 49 4.424 4.424 4.860 -0.436 19285 4175 1 11 . 1 1 49 49 ASP C C 49 177.055 177.055 177.179 -0.124 19285 4176 1 11 . 1 1 49 49 ASP CA C 49 51.836 51.836 52.861 -1.025 19285 4177 1 11 . 1 1 49 49 ASP CB C 49 38.427 38.427 39.410 -0.983 19285 4178 1 11 . 1 1 49 49 ASP H H 49 7.323 7.323 7.502 -0.179 19285 4179 1 11 . 1 1 50 50 THR N N 50 119.204 119.204 119.922 -0.718 19285 4180 1 11 . 1 1 50 50 THR HA H 50 3.863 3.863 4.024 -0.161 19285 4181 1 11 . 1 1 50 50 THR C C 50 176.041 176.041 175.540 0.501 19285 4182 1 11 . 1 1 50 50 THR CA C 50 65.351 65.351 65.400 -0.049 19285 4183 1 11 . 1 1 50 50 THR CB C 50 68.597 68.597 68.984 -0.387 19285 4184 1 11 . 1 1 50 50 THR H H 50 7.841 7.841 8.096 -0.255 19285 4185 1 11 . 1 1 51 51 ASP N N 51 117.233 117.233 118.529 -1.296 19285 4186 1 11 . 1 1 51 51 ASP HA H 51 4.607 4.607 4.660 -0.053 19285 4187 1 11 . 1 1 51 51 ASP C C 51 175.994 175.994 175.183 0.811 19285 4188 1 11 . 1 1 51 51 ASP CA C 51 52.795 52.795 54.739 -1.944 19285 4189 1 11 . 1 1 51 51 ASP CB C 51 39.098 39.098 40.836 -1.738 19285 4190 1 11 . 1 1 51 51 ASP H H 51 7.972 7.972 8.371 -0.399 19285 4191 1 11 . 1 1 52 52 LYS N N 52 113.938 113.938 116.038 -2.100 19285 4192 1 11 . 1 1 52 52 LYS HA H 52 3.961 3.961 4.124 -0.163 19285 4193 1 11 . 1 1 52 52 LYS C C 52 176.126 176.126 175.853 0.273 19285 4194 1 11 . 1 1 52 52 LYS CA C 52 56.238 56.238 57.076 -0.838 19285 4195 1 11 . 1 1 52 52 LYS CB C 52 28.711 28.711 29.614 -0.903 19285 4196 1 11 . 1 1 52 52 LYS H H 52 7.729 7.729 7.888 -0.159 19285 4197 1 11 . 1 1 53 53 ASN N N 53 117.127 117.127 117.220 -0.093 19285 4198 1 11 . 1 1 53 53 ASN HA H 53 4.764 4.764 4.730 0.034 19285 4199 1 11 . 1 1 53 53 ASN C C 53 177.056 177.056 176.388 0.668 19285 4200 1 11 . 1 1 53 53 ASN CA C 53 51.626 51.626 52.363 -0.737 19285 4201 1 11 . 1 1 53 53 ASN CB C 53 37.742 37.742 38.976 -1.234 19285 4202 1 11 . 1 1 53 53 ASN H H 53 8.193 8.193 8.426 -0.233 19285 4203 1 11 . 1 1 54 54 GLY N N 54 113.327 113.327 108.975 4.352 19285 4204 1 11 . 1 1 54 54 GLY C C 54 172.983 172.983 173.552 -0.569 19285 4205 1 11 . 1 1 54 54 GLY CA C 54 45.671 45.671 45.419 0.253 19285 4206 1 11 . 1 1 54 54 GLY H H 54 10.782 10.782 9.002 1.780 19285 4207 1 11 . 1 1 55 55 ARG N N 55 115.634 115.634 118.215 -2.581 19285 4208 1 11 . 1 1 55 55 ARG HA H 55 4.826 4.826 5.005 -0.179 19285 4209 1 11 . 1 1 55 55 ARG C C 55 173.745 173.745 174.719 -0.974 19285 4210 1 11 . 1 1 55 55 ARG CA C 55 54.044 54.044 53.501 0.543 19285 4211 1 11 . 1 1 55 55 ARG CB C 55 33.457 33.457 33.761 -0.304 19285 4212 1 11 . 1 1 55 55 ARG H H 55 7.501 7.501 8.357 -0.856 19285 4213 1 11 . 1 1 56 56 ILE N N 56 127.446 127.446 122.468 4.978 19285 4214 1 11 . 1 1 56 56 ILE HA H 56 5.127 5.127 4.449 0.678 19285 4215 1 11 . 1 1 56 56 ILE C C 56 175.886 175.886 175.429 0.457 19285 4216 1 11 . 1 1 56 56 ILE CA C 56 58.892 58.892 60.800 -1.908 19285 4217 1 11 . 1 1 56 56 ILE CB C 56 36.907 36.907 38.957 -2.050 19285 4218 1 11 . 1 1 56 56 ILE H H 56 9.592 9.592 8.399 1.193 19285 4219 1 11 . 1 1 57 57 ASP N N 57 129.499 129.499 128.129 1.370 19285 4220 1 11 . 1 1 57 57 ASP HA H 57 5.185 5.185 4.916 0.269 19285 4221 1 11 . 1 1 57 57 ASP C C 57 175.630 175.630 177.130 -1.500 19285 4222 1 11 . 1 1 57 57 ASP CA C 57 52.329 52.329 53.273 -0.944 19285 4223 1 11 . 1 1 57 57 ASP CB C 57 42.175 42.175 43.114 -0.939 19285 4224 1 11 . 1 1 57 57 ASP H H 57 9.267 9.267 8.908 0.359 19285 4225 1 11 . 1 1 58 58 PHE N N 58 118.391 118.391 121.970 -3.579 19285 4226 1 11 . 1 1 58 58 PHE HA H 58 3.761 3.761 3.677 0.084 19285 4227 1 11 . 1 1 58 58 PHE C C 58 176.306 176.306 176.554 -0.248 19285 4228 1 11 . 1 1 58 58 PHE CA C 58 61.806 61.806 62.242 -0.436 19285 4229 1 11 . 1 1 58 58 PHE CB C 58 38.539 38.539 38.930 -0.391 19285 4230 1 11 . 1 1 58 58 PHE H H 58 8.799 8.799 9.108 -0.309 19285 4231 1 11 . 1 1 59 59 ASP N N 59 118.077 118.077 116.659 1.418 19285 4232 1 11 . 1 1 59 59 ASP HA H 59 4.167 4.167 4.282 -0.115 19285 4233 1 11 . 1 1 59 59 ASP C C 59 179.808 179.808 178.795 1.013 19285 4234 1 11 . 1 1 59 59 ASP CA C 59 57.781 57.781 57.870 -0.089 19285 4235 1 11 . 1 1 59 59 ASP CB C 59 41.399 41.399 39.820 1.579 19285 4236 1 11 . 1 1 59 59 ASP H H 59 7.930 7.930 8.798 -0.868 19285 4237 1 11 . 1 1 60 60 GLU N N 60 117.047 117.047 120.042 -2.995 19285 4238 1 11 . 1 1 60 60 GLU HA H 60 3.967 3.967 4.009 -0.042 19285 4239 1 11 . 1 1 60 60 GLU C C 60 180.287 180.287 178.395 1.892 19285 4240 1 11 . 1 1 60 60 GLU CA C 60 58.326 58.326 59.276 -0.950 19285 4241 1 11 . 1 1 60 60 GLU CB C 60 29.925 29.925 29.438 0.487 19285 4242 1 11 . 1 1 60 60 GLU H H 60 7.331 7.331 8.180 -0.849 19285 4243 1 11 . 1 1 61 61 PHE N N 61 124.075 124.075 121.972 2.103 19285 4244 1 11 . 1 1 61 61 PHE HA H 61 4.155 4.155 4.228 -0.072 19285 4245 1 11 . 1 1 61 61 PHE C C 61 176.012 176.012 176.790 -0.778 19285 4246 1 11 . 1 1 61 61 PHE CA C 61 61.100 61.100 61.660 -0.560 19285 4247 1 11 . 1 1 61 61 PHE CB C 61 39.493 39.493 39.292 0.201 19285 4248 1 11 . 1 1 61 61 PHE H H 61 9.079 9.079 8.542 0.537 19285 4249 1 11 . 1 1 62 62 LEU N N 62 119.964 119.964 120.186 -0.222 19285 4250 1 11 . 1 1 62 62 LEU HA H 62 3.501 3.501 3.707 -0.206 19285 4251 1 11 . 1 1 62 62 LEU C C 62 179.855 179.855 178.854 1.001 19285 4252 1 11 . 1 1 62 62 LEU CA C 62 58.109 58.109 58.441 -0.332 19285 4253 1 11 . 1 1 62 62 LEU CB C 62 40.495 40.495 40.970 -0.475 19285 4254 1 11 . 1 1 62 62 LEU H H 62 8.416 8.416 8.130 0.286 19285 4255 1 11 . 1 1 63 63 LYS N N 63 121.221 121.221 119.019 2.202 19285 4256 1 11 . 1 1 63 63 LYS HA H 63 4.060 4.060 3.985 0.075 19285 4257 1 11 . 1 1 63 63 LYS C C 63 178.875 178.875 179.224 -0.349 19285 4258 1 11 . 1 1 63 63 LYS CA C 63 58.288 58.288 59.269 -0.981 19285 4259 1 11 . 1 1 63 63 LYS CB C 63 31.683 31.683 32.373 -0.690 19285 4260 1 11 . 1 1 63 63 LYS H H 63 8.804 8.804 7.824 0.980 19285 4261 1 11 . 1 1 64 64 MET N N 64 119.896 119.896 120.142 -0.246 19285 4262 1 11 . 1 1 64 64 MET HA H 64 4.108 4.108 3.973 0.135 19285 4263 1 11 . 1 1 64 64 MET C C 64 178.427 178.427 177.297 1.130 19285 4264 1 11 . 1 1 64 64 MET CA C 64 58.374 58.374 58.887 -0.513 19285 4265 1 11 . 1 1 64 64 MET CB C 64 32.200 32.200 32.823 -0.623 19285 4266 1 11 . 1 1 64 64 MET H H 64 7.895 7.895 7.899 -0.004 19285 4267 1 11 . 1 1 65 65 MET N N 65 116.299 116.299 114.700 1.599 19285 4268 1 11 . 1 1 65 65 MET HA H 65 4.337 4.337 4.095 0.242 19285 4269 1 11 . 1 1 65 65 MET C C 65 178.184 178.184 179.233 -1.049 19285 4270 1 11 . 1 1 65 65 MET CA C 65 55.118 55.118 56.469 -1.351 19285 4271 1 11 . 1 1 65 65 MET CB C 65 30.790 30.790 30.920 -0.130 19285 4272 1 11 . 1 1 65 65 MET H H 65 7.859 7.859 8.040 -0.181 19285 4273 1 11 . 1 1 66 66 GLU N N 66 119.624 119.624 121.581 -1.957 19285 4274 1 11 . 1 1 66 66 GLU HA H 66 4.091 4.091 4.006 0.085 19285 4275 1 11 . 1 1 66 66 GLU C C 66 177.017 177.017 177.624 -0.607 19285 4276 1 11 . 1 1 66 66 GLU CA C 66 58.092 58.092 58.908 -0.816 19285 4277 1 11 . 1 1 66 66 GLU CB C 66 29.619 29.619 29.721 -0.102 19285 4278 1 11 . 1 1 66 66 GLU H H 66 7.568 7.568 8.123 -0.555 19285 4279 1 11 . 1 1 67 67 ASN N N 67 116.153 116.153 116.122 0.031 19285 4280 1 11 . 1 1 67 67 ASN HA H 67 4.776 4.776 4.878 -0.102 19285 4281 1 11 . 1 1 67 67 ASN C C 67 175.231 175.231 174.471 0.760 19285 4282 1 11 . 1 1 67 67 ASN CA C 67 53.440 53.440 52.688 0.752 19285 4283 1 11 . 1 1 67 67 ASN CB C 67 39.284 39.284 38.916 0.368 19285 4284 1 11 . 1 1 67 67 ASN H H 67 7.819 7.819 7.843 -0.024 19285 4285 1 11 . 1 1 68 68 VAL N N 68 119.217 119.217 120.163 -0.946 19285 4286 1 11 . 1 1 68 68 VAL HA H 68 4.147 4.147 3.913 0.234 19285 4287 1 11 . 1 1 68 68 VAL C C 68 175.101 175.101 176.034 -0.933 19285 4288 1 11 . 1 1 68 68 VAL CA C 68 62.576 62.576 63.007 -0.431 19285 4289 1 11 . 1 1 68 68 VAL CB C 68 32.250 32.250 32.587 -0.337 19285 4290 1 11 . 1 1 68 68 VAL H H 68 7.641 7.641 7.199 0.442 19285 4291 1 12 . 1 1 2 2 GLU N N 2 122.304 122.304 122.811 -0.507 19285 4292 1 12 . 1 1 2 2 GLU HA H 2 4.059 4.059 4.187 -0.128 19285 4293 1 12 . 1 1 2 2 GLU C C 2 178.560 178.560 178.349 0.211 19285 4294 1 12 . 1 1 2 2 GLU CA C 2 59.898 59.898 59.277 0.621 19285 4295 1 12 . 1 1 2 2 GLU CB C 2 29.215 29.215 29.594 -0.379 19285 4296 1 12 . 1 1 2 2 GLU H H 2 8.881 8.881 8.793 0.088 19285 4297 1 12 . 1 1 3 3 GLU N N 3 120.033 120.033 117.984 2.049 19285 4298 1 12 . 1 1 3 3 GLU HA H 3 4.155 4.155 4.158 -0.003 19285 4299 1 12 . 1 1 3 3 GLU C C 3 179.048 179.048 179.041 0.007 19285 4300 1 12 . 1 1 3 3 GLU CA C 3 59.270 59.270 59.389 -0.119 19285 4301 1 12 . 1 1 3 3 GLU CB C 3 29.343 29.343 29.400 -0.057 19285 4302 1 12 . 1 1 3 3 GLU H H 3 8.528 8.528 8.766 -0.238 19285 4303 1 12 . 1 1 4 4 GLU N N 4 120.958 120.958 119.842 1.116 19285 4304 1 12 . 1 1 4 4 GLU HA H 4 4.176 4.176 4.231 -0.055 19285 4305 1 12 . 1 1 4 4 GLU C C 4 179.840 179.840 179.179 0.661 19285 4306 1 12 . 1 1 4 4 GLU CA C 4 58.953 58.953 58.580 0.374 19285 4307 1 12 . 1 1 4 4 GLU CB C 4 29.586 29.586 29.797 -0.211 19285 4308 1 12 . 1 1 4 4 GLU H H 4 8.101 8.101 7.621 0.480 19285 4309 1 12 . 1 1 5 5 LEU N N 5 120.900 120.900 120.678 0.222 19285 4310 1 12 . 1 1 5 5 LEU HA H 5 4.395 4.395 4.342 0.053 19285 4311 1 12 . 1 1 5 5 LEU C C 5 179.432 179.432 179.153 0.279 19285 4312 1 12 . 1 1 5 5 LEU CA C 5 57.940 57.940 57.797 0.142 19285 4313 1 12 . 1 1 5 5 LEU CB C 5 41.647 41.647 41.759 -0.112 19285 4314 1 12 . 1 1 5 5 LEU H H 5 8.570 8.570 8.370 0.200 19285 4315 1 12 . 1 1 6 6 SER N N 6 116.354 116.354 115.948 0.406 19285 4316 1 12 . 1 1 6 6 SER HA H 6 4.261 4.261 4.419 -0.158 19285 4317 1 12 . 1 1 6 6 SER C C 6 176.745 176.745 176.832 -0.087 19285 4318 1 12 . 1 1 6 6 SER CA C 6 61.992 61.992 62.205 -0.213 19285 4319 1 12 . 1 1 6 6 SER CB C 6 62.341 62.341 62.903 -0.562 19285 4320 1 12 . 1 1 6 6 SER H H 6 8.604 8.604 8.615 -0.011 19285 4321 1 12 . 1 1 7 7 GLU N N 7 122.072 122.072 121.547 0.525 19285 4322 1 12 . 1 1 7 7 GLU HA H 7 4.190 4.190 4.212 -0.022 19285 4323 1 12 . 1 1 7 7 GLU C C 7 178.189 178.189 178.917 -0.728 19285 4324 1 12 . 1 1 7 7 GLU CA C 7 58.831 58.831 58.972 -0.141 19285 4325 1 12 . 1 1 7 7 GLU CB C 7 28.965 28.965 29.699 -0.734 19285 4326 1 12 . 1 1 7 7 GLU H H 7 7.720 7.720 7.694 0.026 19285 4327 1 12 . 1 1 8 8 CYS N N 8 117.904 117.904 119.063 -1.159 19285 4328 1 12 . 1 1 8 8 CYS HA H 8 4.053 4.053 4.099 -0.046 19285 4329 1 12 . 1 1 8 8 CYS C C 8 175.681 175.681 177.026 -1.345 19285 4330 1 12 . 1 1 8 8 CYS CA C 8 62.437 62.437 63.973 -1.536 19285 4331 1 12 . 1 1 8 8 CYS CB C 8 26.416 26.416 26.977 -0.561 19285 4332 1 12 . 1 1 8 8 CYS H H 8 8.019 8.019 8.040 -0.021 19285 4333 1 12 . 1 1 9 9 PHE N N 9 119.590 119.590 121.047 -1.457 19285 4334 1 12 . 1 1 9 9 PHE HA H 9 3.351 3.351 3.513 -0.162 19285 4335 1 12 . 1 1 9 9 PHE C C 9 175.681 175.681 176.924 -1.243 19285 4336 1 12 . 1 1 9 9 PHE CA C 9 62.181 62.181 62.147 0.034 19285 4337 1 12 . 1 1 9 9 PHE CB C 9 39.277 39.277 38.660 0.617 19285 4338 1 12 . 1 1 9 9 PHE H H 9 8.427 8.427 8.904 -0.477 19285 4339 1 12 . 1 1 10 10 ARG N N 10 114.910 114.910 117.706 -2.796 19285 4340 1 12 . 1 1 10 10 ARG HA H 10 3.953 3.953 3.831 0.122 19285 4341 1 12 . 1 1 10 10 ARG C C 10 178.486 178.486 178.239 0.247 19285 4342 1 12 . 1 1 10 10 ARG CA C 10 58.967 58.967 59.170 -0.203 19285 4343 1 12 . 1 1 10 10 ARG CB C 10 29.948 29.948 30.157 -0.209 19285 4344 1 12 . 1 1 10 10 ARG H H 10 7.558 7.558 7.469 0.089 19285 4345 1 12 . 1 1 11 11 ILE N N 11 118.349 118.349 118.660 -0.311 19285 4346 1 12 . 1 1 11 11 ILE HA H 11 3.582 3.582 3.643 -0.061 19285 4347 1 12 . 1 1 11 11 ILE C C 11 178.112 178.112 177.276 0.836 19285 4348 1 12 . 1 1 11 11 ILE CA C 11 63.622 63.622 64.245 -0.623 19285 4349 1 12 . 1 1 11 11 ILE CB C 11 37.340 37.340 37.967 -0.627 19285 4350 1 12 . 1 1 11 11 ILE H H 11 7.592 7.592 7.562 0.030 19285 4351 1 12 . 1 1 12 12 PHE N N 12 116.960 116.960 115.220 1.740 19285 4352 1 12 . 1 1 12 12 PHE HA H 12 4.477 4.477 4.323 0.154 19285 4353 1 12 . 1 1 12 12 PHE C C 12 176.714 176.714 176.552 0.162 19285 4354 1 12 . 1 1 12 12 PHE CA C 12 58.669 58.669 58.658 0.011 19285 4355 1 12 . 1 1 12 12 PHE CB C 12 39.165 39.165 39.183 -0.018 19285 4356 1 12 . 1 1 12 12 PHE H H 12 7.554 7.554 7.807 -0.253 19285 4357 1 12 . 1 1 13 13 ASP N N 13 119.667 119.667 119.956 -0.289 19285 4358 1 12 . 1 1 13 13 ASP HA H 13 4.474 4.474 4.723 -0.249 19285 4359 1 12 . 1 1 13 13 ASP C C 13 176.772 176.772 176.206 0.566 19285 4360 1 12 . 1 1 13 13 ASP CA C 13 52.106 52.106 52.640 -0.534 19285 4361 1 12 . 1 1 13 13 ASP CB C 13 37.794 37.794 38.740 -0.946 19285 4362 1 12 . 1 1 13 13 ASP H H 13 7.725 7.725 7.978 -0.253 19285 4363 1 12 . 1 1 14 14 LYS N N 14 125.111 125.111 121.914 3.197 19285 4364 1 12 . 1 1 14 14 LYS HA H 14 3.933 3.933 4.093 -0.160 19285 4365 1 12 . 1 1 14 14 LYS C C 14 178.180 178.180 177.526 0.654 19285 4366 1 12 . 1 1 14 14 LYS CA C 14 59.277 59.277 58.001 1.276 19285 4367 1 12 . 1 1 14 14 LYS CB C 14 32.988 32.988 32.595 0.393 19285 4368 1 12 . 1 1 14 14 LYS H H 14 7.577 7.577 7.977 -0.400 19285 4369 1 12 . 1 1 15 15 ASP N N 15 114.010 114.010 115.900 -1.890 19285 4370 1 12 . 1 1 15 15 ASP HA H 15 4.588 4.588 4.650 -0.062 19285 4371 1 12 . 1 1 15 15 ASP C C 15 177.680 177.680 176.691 0.989 19285 4372 1 12 . 1 1 15 15 ASP CA C 15 52.565 52.565 54.426 -1.861 19285 4373 1 12 . 1 1 15 15 ASP CB C 15 39.322 39.322 41.346 -2.024 19285 4374 1 12 . 1 1 15 15 ASP H H 15 8.032 8.032 7.702 0.330 19285 4375 1 12 . 1 1 16 16 GLY N N 16 109.187 109.187 108.284 0.903 19285 4376 1 12 . 1 1 16 16 GLY C C 16 175.043 175.043 175.002 0.041 19285 4377 1 12 . 1 1 16 16 GLY CA C 16 47.001 47.001 45.549 1.452 19285 4378 1 12 . 1 1 16 16 GLY H H 16 7.713 7.713 7.688 0.025 19285 4379 1 12 . 1 1 17 17 ASN N N 17 118.569 118.569 118.207 0.362 19285 4380 1 12 . 1 1 17 17 ASN HA H 17 4.600 4.600 4.530 0.070 19285 4381 1 12 . 1 1 17 17 ASN C C 17 176.026 176.026 175.771 0.255 19285 4382 1 12 . 1 1 17 17 ASN CA C 17 52.265 52.265 53.055 -0.790 19285 4383 1 12 . 1 1 17 17 ASN CB C 17 37.340 37.340 38.651 -1.312 19285 4384 1 12 . 1 1 17 17 ASN H H 17 8.118 8.118 8.680 -0.562 19285 4385 1 12 . 1 1 18 18 GLY N N 18 112.477 112.477 106.752 5.725 19285 4386 1 12 . 1 1 18 18 GLY C C 18 172.479 172.479 172.934 -0.455 19285 4387 1 12 . 1 1 18 18 GLY CA C 18 45.110 45.110 45.606 -0.496 19285 4388 1 12 . 1 1 18 18 GLY H H 18 10.596 10.596 8.822 1.774 19285 4389 1 12 . 1 1 19 19 PHE N N 19 113.792 113.792 112.870 0.922 19285 4390 1 12 . 1 1 19 19 PHE HA H 19 5.291 5.291 5.290 0.001 19285 4391 1 12 . 1 1 19 19 PHE C C 19 173.646 173.646 173.061 0.585 19285 4392 1 12 . 1 1 19 19 PHE CA C 19 55.516 55.516 55.860 -0.344 19285 4393 1 12 . 1 1 19 19 PHE CB C 19 43.196 43.196 41.150 2.046 19285 4394 1 12 . 1 1 19 19 PHE H H 19 7.500 7.500 6.956 0.544 19285 4395 1 12 . 1 1 20 20 ILE N N 20 126.629 126.629 122.747 3.882 19285 4396 1 12 . 1 1 20 20 ILE HA H 20 5.051 5.051 4.910 0.141 19285 4397 1 12 . 1 1 20 20 ILE C C 20 175.764 175.764 176.236 -0.472 19285 4398 1 12 . 1 1 20 20 ILE CA C 20 58.933 58.933 59.346 -0.413 19285 4399 1 12 . 1 1 20 20 ILE CB C 20 37.846 37.846 37.803 0.043 19285 4400 1 12 . 1 1 20 20 ILE H H 20 9.988 9.988 9.201 0.787 19285 4401 1 12 . 1 1 21 21 ASP N N 21 129.797 129.797 128.436 1.361 19285 4402 1 12 . 1 1 21 21 ASP HA H 21 5.124 5.124 5.371 -0.247 19285 4403 1 12 . 1 1 21 21 ASP C C 21 175.686 175.686 176.976 -1.290 19285 4404 1 12 . 1 1 21 21 ASP CA C 21 52.214 52.214 52.460 -0.246 19285 4405 1 12 . 1 1 21 21 ASP CB C 21 41.907 41.907 42.361 -0.454 19285 4406 1 12 . 1 1 21 21 ASP H H 21 9.322 9.322 9.327 -0.005 19285 4407 1 12 . 1 1 22 22 ARG N N 22 118.041 118.041 119.568 -1.527 19285 4408 1 12 . 1 1 22 22 ARG HA H 22 3.359 3.359 2.869 0.490 19285 4409 1 12 . 1 1 22 22 ARG C C 22 178.803 178.803 178.242 0.561 19285 4410 1 12 . 1 1 22 22 ARG CA C 22 58.193 58.193 60.207 -2.014 19285 4411 1 12 . 1 1 22 22 ARG CB C 22 28.264 28.264 29.862 -1.598 19285 4412 1 12 . 1 1 22 22 ARG H H 22 8.564 8.564 8.754 -0.190 19285 4413 1 12 . 1 1 23 23 GLU N N 23 122.771 122.771 118.353 4.418 19285 4414 1 12 . 1 1 23 23 GLU HA H 23 4.108 4.108 4.031 0.077 19285 4415 1 12 . 1 1 23 23 GLU C C 23 180.100 180.100 178.960 1.140 19285 4416 1 12 . 1 1 23 23 GLU CA C 23 59.392 59.392 59.354 0.038 19285 4417 1 12 . 1 1 23 23 GLU CB C 23 28.950 28.950 29.280 -0.330 19285 4418 1 12 . 1 1 23 23 GLU H H 23 8.309 8.309 8.024 0.285 19285 4419 1 12 . 1 1 24 24 GLU N N 24 122.272 122.272 119.768 2.504 19285 4420 1 12 . 1 1 24 24 GLU HA H 24 4.179 4.179 4.137 0.042 19285 4421 1 12 . 1 1 24 24 GLU C C 24 179.466 179.466 178.961 0.505 19285 4422 1 12 . 1 1 24 24 GLU CA C 24 58.237 58.237 58.879 -0.642 19285 4423 1 12 . 1 1 24 24 GLU CB C 24 30.455 30.455 29.665 0.791 19285 4424 1 12 . 1 1 24 24 GLU H H 24 9.062 9.062 9.003 0.059 19285 4425 1 12 . 1 1 25 25 PHE N N 25 118.985 118.985 121.313 -2.328 19285 4426 1 12 . 1 1 25 25 PHE HA H 25 4.050 4.050 4.242 -0.192 19285 4427 1 12 . 1 1 25 25 PHE C C 25 176.876 176.876 177.072 -0.196 19285 4428 1 12 . 1 1 25 25 PHE CA C 25 60.766 60.766 60.277 0.489 19285 4429 1 12 . 1 1 25 25 PHE CB C 25 40.514 40.514 39.033 1.481 19285 4430 1 12 . 1 1 25 25 PHE H H 25 8.931 8.931 8.499 0.432 19285 4431 1 12 . 1 1 26 26 GLY N N 26 103.509 103.509 107.426 -3.917 19285 4432 1 12 . 1 1 26 26 GLY C C 26 175.475 175.475 175.811 -0.336 19285 4433 1 12 . 1 1 26 26 GLY CA C 26 47.163 47.163 47.446 -0.283 19285 4434 1 12 . 1 1 26 26 GLY H H 26 7.891 7.891 8.175 -0.284 19285 4435 1 12 . 1 1 27 27 ASP N N 27 119.470 119.470 122.420 -2.950 19285 4436 1 12 . 1 1 27 27 ASP HA H 27 4.545 4.545 4.483 0.062 19285 4437 1 12 . 1 1 27 27 ASP C C 27 177.555 177.555 178.584 -1.029 19285 4438 1 12 . 1 1 27 27 ASP CA C 27 56.657 56.657 56.952 -0.295 19285 4439 1 12 . 1 1 27 27 ASP CB C 27 40.521 40.521 40.473 0.048 19285 4440 1 12 . 1 1 27 27 ASP H H 27 7.492 7.492 7.567 -0.075 19285 4441 1 12 . 1 1 28 28 ILE N N 28 119.005 119.005 120.692 -1.687 19285 4442 1 12 . 1 1 28 28 ILE HA H 28 3.222 3.222 3.115 0.107 19285 4443 1 12 . 1 1 28 28 ILE C C 28 178.112 178.112 177.634 0.478 19285 4444 1 12 . 1 1 28 28 ILE CA C 28 63.693 63.693 65.027 -1.334 19285 4445 1 12 . 1 1 28 28 ILE CB C 28 36.967 36.967 37.549 -0.582 19285 4446 1 12 . 1 1 28 28 ILE H H 28 7.290 7.290 7.125 0.165 19285 4447 1 12 . 1 1 29 29 ILE N N 29 118.036 118.036 119.101 -1.065 19285 4448 1 12 . 1 1 29 29 ILE HA H 29 3.792 3.792 3.642 0.150 19285 4449 1 12 . 1 1 29 29 ILE C C 29 178.396 178.396 178.667 -0.271 19285 4450 1 12 . 1 1 29 29 ILE CA C 29 61.114 61.114 64.584 -3.470 19285 4451 1 12 . 1 1 29 29 ILE CB C 29 36.103 36.103 37.553 -1.450 19285 4452 1 12 . 1 1 29 29 ILE H H 29 7.217 7.217 7.695 -0.478 19285 4453 1 12 . 1 1 30 30 ARG N N 30 120.280 120.280 120.282 -0.002 19285 4454 1 12 . 1 1 30 30 ARG HA H 30 4.165 4.165 3.942 0.223 19285 4455 1 12 . 1 1 30 30 ARG C C 30 178.243 178.243 177.932 0.311 19285 4456 1 12 . 1 1 30 30 ARG CA C 30 58.528 58.528 59.184 -0.656 19285 4457 1 12 . 1 1 30 30 ARG CB C 30 29.873 29.873 30.200 -0.327 19285 4458 1 12 . 1 1 30 30 ARG H H 30 7.748 7.748 7.845 -0.097 19285 4459 1 12 . 1 1 31 31 LEU N N 31 119.077 119.077 117.261 1.816 19285 4460 1 12 . 1 1 31 31 LEU HA H 31 4.211 4.211 4.325 -0.114 19285 4461 1 12 . 1 1 31 31 LEU C C 31 178.573 178.573 178.083 0.490 19285 4462 1 12 . 1 1 31 31 LEU CA C 31 56.866 56.866 57.450 -0.584 19285 4463 1 12 . 1 1 31 31 LEU CB C 31 41.900 41.900 42.904 -1.004 19285 4464 1 12 . 1 1 31 31 LEU H H 31 7.614 7.614 7.777 -0.163 19285 4465 1 12 . 1 1 32 32 THR N N 32 108.038 108.038 106.574 1.464 19285 4466 1 12 . 1 1 32 32 THR HA H 32 4.346 4.346 4.463 -0.117 19285 4467 1 12 . 1 1 32 32 THR C C 32 175.796 175.796 176.143 -0.347 19285 4468 1 12 . 1 1 32 32 THR CA C 32 62.532 62.532 62.555 -0.023 19285 4469 1 12 . 1 1 32 32 THR CB C 32 70.251 70.251 70.370 -0.119 19285 4470 1 12 . 1 1 32 32 THR H H 32 7.652 7.652 8.063 -0.411 19285 4471 1 12 . 1 1 33 33 GLY N N 33 109.261 109.261 110.811 -1.550 19285 4472 1 12 . 1 1 33 33 GLY C C 33 174.020 174.020 174.457 -0.437 19285 4473 1 12 . 1 1 33 33 GLY CA C 33 45.617 45.617 44.283 1.333 19285 4474 1 12 . 1 1 33 33 GLY H H 33 7.812 7.812 7.946 -0.134 19285 4475 1 12 . 1 1 34 34 GLU N N 34 120.265 120.265 121.674 -1.409 19285 4476 1 12 . 1 1 34 34 GLU HA H 34 4.264 4.264 4.083 0.181 19285 4477 1 12 . 1 1 34 34 GLU C C 34 176.124 176.124 177.243 -1.119 19285 4478 1 12 . 1 1 34 34 GLU CA C 34 56.198 56.198 58.817 -2.619 19285 4479 1 12 . 1 1 34 34 GLU CB C 34 30.221 30.221 29.556 0.665 19285 4480 1 12 . 1 1 34 34 GLU H H 34 7.857 7.857 7.738 0.119 19285 4481 1 12 . 1 1 35 35 GLN N N 35 122.159 122.159 115.260 6.899 19285 4482 1 12 . 1 1 35 35 GLN HA H 35 4.319 4.319 4.299 0.020 19285 4483 1 12 . 1 1 35 35 GLN C C 35 174.957 174.957 176.090 -1.133 19285 4484 1 12 . 1 1 35 35 GLN CA C 35 55.489 55.489 55.388 0.101 19285 4485 1 12 . 1 1 35 35 GLN CB C 35 27.772 27.772 29.153 -1.381 19285 4486 1 12 . 1 1 35 35 GLN H H 35 8.683 8.683 8.383 0.300 19285 4487 1 12 . 1 1 36 36 LEU N N 36 124.703 124.703 120.468 4.235 19285 4488 1 12 . 1 1 36 36 LEU HA H 36 4.764 4.764 4.593 0.171 19285 4489 1 12 . 1 1 36 36 LEU C C 36 177.647 177.647 176.944 0.703 19285 4490 1 12 . 1 1 36 36 LEU CA C 36 53.868 53.868 53.928 -0.060 19285 4491 1 12 . 1 1 36 36 LEU CB C 36 44.448 44.448 43.679 0.769 19285 4492 1 12 . 1 1 36 36 LEU H H 36 7.790 7.790 7.519 0.271 19285 4493 1 12 . 1 1 37 37 THR N N 37 114.475 114.475 112.142 2.333 19285 4494 1 12 . 1 1 37 37 THR HA H 37 4.485 4.485 4.507 -0.022 19285 4495 1 12 . 1 1 37 37 THR C C 37 175.339 175.339 175.173 0.166 19285 4496 1 12 . 1 1 37 37 THR CA C 37 60.591 60.591 60.199 0.392 19285 4497 1 12 . 1 1 37 37 THR CB C 37 71.227 71.227 70.621 0.606 19285 4498 1 12 . 1 1 37 37 THR H H 37 9.146 9.146 8.968 0.178 19285 4499 1 12 . 1 1 38 38 ASP N N 38 120.839 120.839 119.928 0.911 19285 4500 1 12 . 1 1 38 38 ASP HA H 38 4.255 4.255 4.421 -0.166 19285 4501 1 12 . 1 1 38 38 ASP C C 38 177.870 177.870 178.506 -0.636 19285 4502 1 12 . 1 1 38 38 ASP CA C 38 57.889 57.889 57.102 0.787 19285 4503 1 12 . 1 1 38 38 ASP CB C 38 39.895 39.895 40.368 -0.473 19285 4504 1 12 . 1 1 38 38 ASP H H 38 8.857 8.857 8.721 0.136 19285 4505 1 12 . 1 1 39 39 GLU N N 39 118.596 118.596 119.094 -0.498 19285 4506 1 12 . 1 1 39 39 GLU HA H 39 4.120 4.120 4.105 0.015 19285 4507 1 12 . 1 1 39 39 GLU C C 39 179.052 179.052 178.172 0.880 19285 4508 1 12 . 1 1 39 39 GLU CA C 39 59.662 59.662 58.810 0.852 19285 4509 1 12 . 1 1 39 39 GLU CB C 39 28.823 28.823 29.590 -0.767 19285 4510 1 12 . 1 1 39 39 GLU H H 39 8.389 8.389 8.434 -0.045 19285 4511 1 12 . 1 1 40 40 ASP N N 40 121.412 121.412 119.865 1.547 19285 4512 1 12 . 1 1 40 40 ASP HA H 40 4.460 4.460 4.501 -0.041 19285 4513 1 12 . 1 1 40 40 ASP C C 40 179.307 179.307 178.591 0.716 19285 4514 1 12 . 1 1 40 40 ASP CA C 40 57.164 57.164 57.010 0.154 19285 4515 1 12 . 1 1 40 40 ASP CB C 40 41.229 41.229 40.413 0.816 19285 4516 1 12 . 1 1 40 40 ASP H H 40 7.768 7.768 7.954 -0.186 19285 4517 1 12 . 1 1 41 41 VAL N N 41 121.053 121.053 119.817 1.236 19285 4518 1 12 . 1 1 41 41 VAL HA H 41 3.605 3.605 3.733 -0.128 19285 4519 1 12 . 1 1 41 41 VAL C C 41 177.685 177.685 177.675 0.010 19285 4520 1 12 . 1 1 41 41 VAL CA C 41 67.286 67.286 67.136 0.150 19285 4521 1 12 . 1 1 41 41 VAL CB C 41 31.498 31.498 31.675 -0.177 19285 4522 1 12 . 1 1 41 41 VAL H H 41 8.215 8.215 7.315 0.900 19285 4523 1 12 . 1 1 42 42 ASP N N 42 120.507 120.507 119.109 1.398 19285 4524 1 12 . 1 1 42 42 ASP HA H 42 4.213 4.213 4.554 -0.341 19285 4525 1 12 . 1 1 42 42 ASP C C 42 179.444 179.444 179.077 0.367 19285 4526 1 12 . 1 1 42 42 ASP CA C 42 57.744 57.744 57.457 0.287 19285 4527 1 12 . 1 1 42 42 ASP CB C 42 40.082 40.082 40.250 -0.168 19285 4528 1 12 . 1 1 42 42 ASP H H 42 8.527 8.527 8.072 0.455 19285 4529 1 12 . 1 1 43 43 GLU N N 43 121.091 121.091 120.386 0.705 19285 4530 1 12 . 1 1 43 43 GLU HA H 43 4.119 4.119 4.157 -0.038 19285 4531 1 12 . 1 1 43 43 GLU C C 43 178.328 178.328 179.230 -0.902 19285 4532 1 12 . 1 1 43 43 GLU CA C 43 59.264 59.264 59.459 -0.195 19285 4533 1 12 . 1 1 43 43 GLU CB C 43 29.277 29.277 29.973 -0.696 19285 4534 1 12 . 1 1 43 43 GLU H H 43 7.758 7.758 7.569 0.189 19285 4535 1 12 . 1 1 44 44 ILE N N 44 120.248 120.248 120.562 -0.314 19285 4536 1 12 . 1 1 44 44 ILE HA H 44 3.957 3.957 3.804 0.153 19285 4537 1 12 . 1 1 44 44 ILE C C 44 179.412 179.412 177.867 1.545 19285 4538 1 12 . 1 1 44 44 ILE CA C 44 64.747 64.747 65.118 -0.371 19285 4539 1 12 . 1 1 44 44 ILE CB C 44 38.919 38.919 38.158 0.761 19285 4540 1 12 . 1 1 44 44 ILE H H 44 7.934 7.934 8.516 -0.582 19285 4541 1 12 . 1 1 45 45 PHE N N 45 124.028 124.028 121.429 2.599 19285 4542 1 12 . 1 1 45 45 PHE HA H 45 3.126 3.126 3.683 -0.557 19285 4543 1 12 . 1 1 45 45 PHE C C 45 176.732 176.732 177.745 -1.013 19285 4544 1 12 . 1 1 45 45 PHE CA C 45 62.039 62.039 61.316 0.723 19285 4545 1 12 . 1 1 45 45 PHE CB C 45 38.562 38.562 38.717 -0.155 19285 4546 1 12 . 1 1 45 45 PHE H H 45 9.019 9.019 8.445 0.574 19285 4547 1 12 . 1 1 46 46 GLY N N 46 104.229 104.229 106.151 -1.922 19285 4548 1 12 . 1 1 46 46 GLY C C 46 176.365 176.365 175.323 1.042 19285 4549 1 12 . 1 1 46 46 GLY CA C 46 47.055 47.055 46.743 0.312 19285 4550 1 12 . 1 1 46 46 GLY H H 46 8.219 8.219 7.881 0.338 19285 4551 1 12 . 1 1 47 47 ASP N N 47 119.686 119.686 120.387 -0.701 19285 4552 1 12 . 1 1 47 47 ASP HA H 47 4.343 4.343 4.475 -0.132 19285 4553 1 12 . 1 1 47 47 ASP C C 47 178.101 178.101 177.426 0.675 19285 4554 1 12 . 1 1 47 47 ASP CA C 47 56.235 56.235 56.091 0.144 19285 4555 1 12 . 1 1 47 47 ASP CB C 47 40.558 40.558 41.072 -0.514 19285 4556 1 12 . 1 1 47 47 ASP H H 47 8.106 8.106 7.799 0.307 19285 4557 1 12 . 1 1 48 48 SER N N 48 113.923 113.923 111.223 2.700 19285 4558 1 12 . 1 1 48 48 SER HA H 48 4.281 4.281 4.158 0.123 19285 4559 1 12 . 1 1 48 48 SER C C 48 173.432 173.432 174.973 -1.541 19285 4560 1 12 . 1 1 48 48 SER CA C 48 59.878 59.878 59.551 0.327 19285 4561 1 12 . 1 1 48 48 SER CB C 48 63.709 63.709 63.621 0.088 19285 4562 1 12 . 1 1 48 48 SER H H 48 7.567 7.567 7.819 -0.252 19285 4563 1 12 . 1 1 49 49 ASP N N 49 121.595 121.595 123.776 -2.181 19285 4564 1 12 . 1 1 49 49 ASP HA H 49 4.424 4.424 4.539 -0.115 19285 4565 1 12 . 1 1 49 49 ASP C C 49 177.055 177.055 177.011 0.044 19285 4566 1 12 . 1 1 49 49 ASP CA C 49 51.836 51.836 52.831 -0.995 19285 4567 1 12 . 1 1 49 49 ASP CB C 49 38.427 38.427 39.199 -0.772 19285 4568 1 12 . 1 1 49 49 ASP H H 49 7.323 7.323 7.541 -0.218 19285 4569 1 12 . 1 1 50 50 THR N N 50 119.204 119.204 118.907 0.297 19285 4570 1 12 . 1 1 50 50 THR HA H 50 3.863 3.863 4.045 -0.182 19285 4571 1 12 . 1 1 50 50 THR C C 50 176.041 176.041 175.453 0.588 19285 4572 1 12 . 1 1 50 50 THR CA C 50 65.351 65.351 65.324 0.027 19285 4573 1 12 . 1 1 50 50 THR CB C 50 68.597 68.597 68.999 -0.402 19285 4574 1 12 . 1 1 50 50 THR H H 50 7.841 7.841 8.023 -0.182 19285 4575 1 12 . 1 1 51 51 ASP N N 51 117.233 117.233 118.928 -1.695 19285 4576 1 12 . 1 1 51 51 ASP HA H 51 4.607 4.607 4.650 -0.043 19285 4577 1 12 . 1 1 51 51 ASP C C 51 175.994 175.994 174.998 0.996 19285 4578 1 12 . 1 1 51 51 ASP CA C 51 52.795 52.795 54.379 -1.584 19285 4579 1 12 . 1 1 51 51 ASP CB C 51 39.098 39.098 40.679 -1.581 19285 4580 1 12 . 1 1 51 51 ASP H H 51 7.972 7.972 8.289 -0.317 19285 4581 1 12 . 1 1 52 52 LYS N N 52 113.938 113.938 115.869 -1.931 19285 4582 1 12 . 1 1 52 52 LYS HA H 52 3.961 3.961 4.061 -0.100 19285 4583 1 12 . 1 1 52 52 LYS C C 52 176.126 176.126 175.712 0.414 19285 4584 1 12 . 1 1 52 52 LYS CA C 52 56.238 56.238 57.126 -0.888 19285 4585 1 12 . 1 1 52 52 LYS CB C 52 28.711 28.711 29.908 -1.197 19285 4586 1 12 . 1 1 52 52 LYS H H 52 7.729 7.729 7.692 0.037 19285 4587 1 12 . 1 1 53 53 ASN N N 53 117.127 117.127 117.371 -0.244 19285 4588 1 12 . 1 1 53 53 ASN HA H 53 4.764 4.764 4.714 0.050 19285 4589 1 12 . 1 1 53 53 ASN C C 53 177.056 177.056 176.454 0.602 19285 4590 1 12 . 1 1 53 53 ASN CA C 53 51.626 51.626 53.047 -1.421 19285 4591 1 12 . 1 1 53 53 ASN CB C 53 37.742 37.742 39.160 -1.418 19285 4592 1 12 . 1 1 53 53 ASN H H 53 8.193 8.193 8.416 -0.223 19285 4593 1 12 . 1 1 54 54 GLY N N 54 113.327 113.327 109.476 3.851 19285 4594 1 12 . 1 1 54 54 GLY C C 54 172.983 172.983 172.903 0.080 19285 4595 1 12 . 1 1 54 54 GLY CA C 54 45.671 45.671 45.607 0.064 19285 4596 1 12 . 1 1 54 54 GLY H H 54 10.782 10.782 9.058 1.724 19285 4597 1 12 . 1 1 55 55 ARG N N 55 115.634 115.634 116.124 -0.490 19285 4598 1 12 . 1 1 55 55 ARG HA H 55 4.826 4.826 4.945 -0.119 19285 4599 1 12 . 1 1 55 55 ARG C C 55 173.745 173.745 174.000 -0.255 19285 4600 1 12 . 1 1 55 55 ARG CA C 55 54.044 54.044 54.261 -0.217 19285 4601 1 12 . 1 1 55 55 ARG CB C 55 33.457 33.457 33.184 0.273 19285 4602 1 12 . 1 1 55 55 ARG H H 55 7.501 7.501 7.152 0.349 19285 4603 1 12 . 1 1 56 56 ILE N N 56 127.446 127.446 121.549 5.897 19285 4604 1 12 . 1 1 56 56 ILE HA H 56 5.127 5.127 4.383 0.744 19285 4605 1 12 . 1 1 56 56 ILE C C 56 175.886 175.886 174.919 0.967 19285 4606 1 12 . 1 1 56 56 ILE CA C 56 58.892 58.892 58.452 0.440 19285 4607 1 12 . 1 1 56 56 ILE CB C 56 36.907 36.907 38.510 -1.603 19285 4608 1 12 . 1 1 56 56 ILE H H 56 9.592 9.592 8.958 0.634 19285 4609 1 12 . 1 1 57 57 ASP N N 57 129.499 129.499 128.393 1.106 19285 4610 1 12 . 1 1 57 57 ASP HA H 57 5.185 5.185 4.907 0.278 19285 4611 1 12 . 1 1 57 57 ASP C C 57 175.630 175.630 177.028 -1.398 19285 4612 1 12 . 1 1 57 57 ASP CA C 57 52.329 52.329 53.373 -1.044 19285 4613 1 12 . 1 1 57 57 ASP CB C 57 42.175 42.175 42.881 -0.706 19285 4614 1 12 . 1 1 57 57 ASP H H 57 9.267 9.267 8.735 0.532 19285 4615 1 12 . 1 1 58 58 PHE N N 58 118.391 118.391 121.881 -3.490 19285 4616 1 12 . 1 1 58 58 PHE HA H 58 3.761 3.761 3.944 -0.183 19285 4617 1 12 . 1 1 58 58 PHE C C 58 176.306 176.306 176.444 -0.138 19285 4618 1 12 . 1 1 58 58 PHE CA C 58 61.806 61.806 61.679 0.127 19285 4619 1 12 . 1 1 58 58 PHE CB C 58 38.539 38.539 38.887 -0.348 19285 4620 1 12 . 1 1 58 58 PHE H H 58 8.799 8.799 9.058 -0.259 19285 4621 1 12 . 1 1 59 59 ASP N N 59 118.077 118.077 118.102 -0.025 19285 4622 1 12 . 1 1 59 59 ASP HA H 59 4.167 4.167 4.281 -0.114 19285 4623 1 12 . 1 1 59 59 ASP C C 59 179.808 179.808 178.796 1.012 19285 4624 1 12 . 1 1 59 59 ASP CA C 59 57.781 57.781 57.727 0.054 19285 4625 1 12 . 1 1 59 59 ASP CB C 59 41.399 41.399 39.509 1.890 19285 4626 1 12 . 1 1 59 59 ASP H H 59 7.930 7.930 8.714 -0.784 19285 4627 1 12 . 1 1 60 60 GLU N N 60 117.047 117.047 118.875 -1.828 19285 4628 1 12 . 1 1 60 60 GLU HA H 60 3.967 3.967 4.171 -0.204 19285 4629 1 12 . 1 1 60 60 GLU C C 60 180.287 180.287 178.586 1.701 19285 4630 1 12 . 1 1 60 60 GLU CA C 60 58.326 58.326 57.815 0.511 19285 4631 1 12 . 1 1 60 60 GLU CB C 60 29.925 29.925 29.095 0.830 19285 4632 1 12 . 1 1 60 60 GLU H H 60 7.331 7.331 8.468 -1.137 19285 4633 1 12 . 1 1 61 61 PHE N N 61 124.075 124.075 122.835 1.240 19285 4634 1 12 . 1 1 61 61 PHE HA H 61 4.155 4.155 4.247 -0.092 19285 4635 1 12 . 1 1 61 61 PHE C C 61 176.012 176.012 176.819 -0.807 19285 4636 1 12 . 1 1 61 61 PHE CA C 61 61.100 61.100 61.941 -0.841 19285 4637 1 12 . 1 1 61 61 PHE CB C 61 39.493 39.493 39.091 0.402 19285 4638 1 12 . 1 1 61 61 PHE H H 61 9.079 9.079 8.441 0.638 19285 4639 1 12 . 1 1 62 62 LEU N N 62 119.964 119.964 117.520 2.444 19285 4640 1 12 . 1 1 62 62 LEU HA H 62 3.501 3.501 3.741 -0.240 19285 4641 1 12 . 1 1 62 62 LEU C C 62 179.855 179.855 179.065 0.790 19285 4642 1 12 . 1 1 62 62 LEU CA C 62 58.109 58.109 57.830 0.279 19285 4643 1 12 . 1 1 62 62 LEU CB C 62 40.495 40.495 41.329 -0.834 19285 4644 1 12 . 1 1 62 62 LEU H H 62 8.416 8.416 7.864 0.552 19285 4645 1 12 . 1 1 63 63 LYS N N 63 121.221 121.221 117.489 3.732 19285 4646 1 12 . 1 1 63 63 LYS HA H 63 4.060 4.060 4.048 0.012 19285 4647 1 12 . 1 1 63 63 LYS C C 63 178.875 178.875 178.809 0.066 19285 4648 1 12 . 1 1 63 63 LYS CA C 63 58.288 58.288 58.696 -0.408 19285 4649 1 12 . 1 1 63 63 LYS CB C 63 31.683 31.683 32.383 -0.700 19285 4650 1 12 . 1 1 63 63 LYS H H 63 8.804 8.804 7.433 1.371 19285 4651 1 12 . 1 1 64 64 MET N N 64 119.896 119.896 120.904 -1.008 19285 4652 1 12 . 1 1 64 64 MET HA H 64 4.108 4.108 4.033 0.075 19285 4653 1 12 . 1 1 64 64 MET C C 64 178.427 178.427 178.028 0.399 19285 4654 1 12 . 1 1 64 64 MET CA C 64 58.374 58.374 58.862 -0.488 19285 4655 1 12 . 1 1 64 64 MET CB C 64 32.200 32.200 32.804 -0.604 19285 4656 1 12 . 1 1 64 64 MET H H 64 7.895 7.895 8.207 -0.312 19285 4657 1 12 . 1 1 65 65 MET N N 65 116.299 116.299 115.708 0.591 19285 4658 1 12 . 1 1 65 65 MET HA H 65 4.337 4.337 4.016 0.321 19285 4659 1 12 . 1 1 65 65 MET C C 65 178.184 178.184 178.658 -0.474 19285 4660 1 12 . 1 1 65 65 MET CA C 65 55.118 55.118 57.116 -1.998 19285 4661 1 12 . 1 1 65 65 MET CB C 65 30.790 30.790 30.858 -0.068 19285 4662 1 12 . 1 1 65 65 MET H H 65 7.859 7.859 8.218 -0.359 19285 4663 1 12 . 1 1 66 66 GLU N N 66 119.624 119.624 118.979 0.645 19285 4664 1 12 . 1 1 66 66 GLU HA H 66 4.091 4.091 4.082 0.009 19285 4665 1 12 . 1 1 66 66 GLU C C 66 177.017 177.017 178.226 -1.209 19285 4666 1 12 . 1 1 66 66 GLU CA C 66 58.092 58.092 58.727 -0.635 19285 4667 1 12 . 1 1 66 66 GLU CB C 66 29.619 29.619 29.256 0.363 19285 4668 1 12 . 1 1 66 66 GLU H H 66 7.568 7.568 8.096 -0.528 19285 4669 1 12 . 1 1 67 67 ASN N N 67 116.153 116.153 116.778 -0.625 19285 4670 1 12 . 1 1 67 67 ASN HA H 67 4.776 4.776 4.577 0.199 19285 4671 1 12 . 1 1 67 67 ASN C C 67 175.231 175.231 176.790 -1.559 19285 4672 1 12 . 1 1 67 67 ASN CA C 67 53.440 53.440 55.027 -1.587 19285 4673 1 12 . 1 1 67 67 ASN CB C 67 39.284 39.284 38.683 0.601 19285 4674 1 12 . 1 1 67 67 ASN H H 67 7.819 7.819 7.593 0.226 19285 4675 1 12 . 1 1 68 68 VAL N N 68 119.217 119.217 120.042 -0.825 19285 4676 1 12 . 1 1 68 68 VAL HA H 68 4.147 4.147 3.830 0.317 19285 4677 1 12 . 1 1 68 68 VAL C C 68 175.101 175.101 176.116 -1.015 19285 4678 1 12 . 1 1 68 68 VAL CA C 68 62.576 62.576 65.177 -2.601 19285 4679 1 12 . 1 1 68 68 VAL CB C 68 32.250 32.250 32.390 -0.140 19285 4680 1 12 . 1 1 68 68 VAL H H 68 7.641 7.641 7.948 -0.307 19285 4681 1 13 . 1 1 2 2 GLU N N 2 122.304 122.304 122.813 -0.509 19285 4682 1 13 . 1 1 2 2 GLU HA H 2 4.059 4.059 4.276 -0.217 19285 4683 1 13 . 1 1 2 2 GLU C C 2 178.560 178.560 178.443 0.117 19285 4684 1 13 . 1 1 2 2 GLU CA C 2 59.898 59.898 59.382 0.516 19285 4685 1 13 . 1 1 2 2 GLU CB C 2 29.215 29.215 29.622 -0.407 19285 4686 1 13 . 1 1 2 2 GLU H H 2 8.881 8.881 8.822 0.059 19285 4687 1 13 . 1 1 3 3 GLU N N 3 120.033 120.033 119.827 0.206 19285 4688 1 13 . 1 1 3 3 GLU HA H 3 4.155 4.155 4.141 0.014 19285 4689 1 13 . 1 1 3 3 GLU C C 3 179.048 179.048 179.012 0.036 19285 4690 1 13 . 1 1 3 3 GLU CA C 3 59.270 59.270 59.558 -0.288 19285 4691 1 13 . 1 1 3 3 GLU CB C 3 29.343 29.343 29.263 0.080 19285 4692 1 13 . 1 1 3 3 GLU H H 3 8.528 8.528 8.762 -0.234 19285 4693 1 13 . 1 1 4 4 GLU N N 4 120.958 120.958 119.695 1.263 19285 4694 1 13 . 1 1 4 4 GLU HA H 4 4.176 4.176 4.183 -0.007 19285 4695 1 13 . 1 1 4 4 GLU C C 4 179.840 179.840 179.246 0.594 19285 4696 1 13 . 1 1 4 4 GLU CA C 4 58.953 58.953 59.288 -0.335 19285 4697 1 13 . 1 1 4 4 GLU CB C 4 29.586 29.586 29.531 0.055 19285 4698 1 13 . 1 1 4 4 GLU H H 4 8.101 8.101 8.492 -0.391 19285 4699 1 13 . 1 1 5 5 LEU N N 5 120.900 120.900 120.652 0.248 19285 4700 1 13 . 1 1 5 5 LEU HA H 5 4.395 4.395 4.255 0.140 19285 4701 1 13 . 1 1 5 5 LEU C C 5 179.432 179.432 179.287 0.145 19285 4702 1 13 . 1 1 5 5 LEU CA C 5 57.940 57.940 58.159 -0.219 19285 4703 1 13 . 1 1 5 5 LEU CB C 5 41.647 41.647 41.979 -0.332 19285 4704 1 13 . 1 1 5 5 LEU H H 5 8.570 8.570 8.572 -0.002 19285 4705 1 13 . 1 1 6 6 SER N N 6 116.354 116.354 116.435 -0.081 19285 4706 1 13 . 1 1 6 6 SER HA H 6 4.261 4.261 4.279 -0.018 19285 4707 1 13 . 1 1 6 6 SER C C 6 176.745 176.745 176.973 -0.228 19285 4708 1 13 . 1 1 6 6 SER CA C 6 61.992 61.992 62.215 -0.223 19285 4709 1 13 . 1 1 6 6 SER CB C 6 62.341 62.341 62.867 -0.526 19285 4710 1 13 . 1 1 6 6 SER H H 6 8.604 8.604 8.518 0.086 19285 4711 1 13 . 1 1 7 7 GLU N N 7 122.072 122.072 122.183 -0.111 19285 4712 1 13 . 1 1 7 7 GLU HA H 7 4.190 4.190 4.120 0.070 19285 4713 1 13 . 1 1 7 7 GLU C C 7 178.189 178.189 178.698 -0.509 19285 4714 1 13 . 1 1 7 7 GLU CA C 7 58.831 58.831 59.353 -0.522 19285 4715 1 13 . 1 1 7 7 GLU CB C 7 28.965 28.965 29.621 -0.656 19285 4716 1 13 . 1 1 7 7 GLU H H 7 7.720 7.720 8.069 -0.349 19285 4717 1 13 . 1 1 8 8 CYS N N 8 117.904 117.904 119.205 -1.301 19285 4718 1 13 . 1 1 8 8 CYS HA H 8 4.053 4.053 4.157 -0.104 19285 4719 1 13 . 1 1 8 8 CYS C C 8 175.681 175.681 176.873 -1.192 19285 4720 1 13 . 1 1 8 8 CYS CA C 8 62.437 62.437 63.603 -1.166 19285 4721 1 13 . 1 1 8 8 CYS CB C 8 26.416 26.416 27.868 -1.452 19285 4722 1 13 . 1 1 8 8 CYS H H 8 8.019 8.019 8.303 -0.284 19285 4723 1 13 . 1 1 9 9 PHE N N 9 119.590 119.590 120.906 -1.316 19285 4724 1 13 . 1 1 9 9 PHE HA H 9 3.351 3.351 3.471 -0.120 19285 4725 1 13 . 1 1 9 9 PHE C C 9 175.681 175.681 177.012 -1.331 19285 4726 1 13 . 1 1 9 9 PHE CA C 9 62.181 62.181 62.026 0.155 19285 4727 1 13 . 1 1 9 9 PHE CB C 9 39.277 39.277 38.990 0.287 19285 4728 1 13 . 1 1 9 9 PHE H H 9 8.427 8.427 8.645 -0.218 19285 4729 1 13 . 1 1 10 10 ARG N N 10 114.910 114.910 117.550 -2.640 19285 4730 1 13 . 1 1 10 10 ARG HA H 10 3.953 3.953 3.935 0.018 19285 4731 1 13 . 1 1 10 10 ARG C C 10 178.486 178.486 178.085 0.401 19285 4732 1 13 . 1 1 10 10 ARG CA C 10 58.967 58.967 59.219 -0.252 19285 4733 1 13 . 1 1 10 10 ARG CB C 10 29.948 29.948 30.200 -0.252 19285 4734 1 13 . 1 1 10 10 ARG H H 10 7.558 7.558 7.861 -0.303 19285 4735 1 13 . 1 1 11 11 ILE N N 11 118.349 118.349 118.251 0.098 19285 4736 1 13 . 1 1 11 11 ILE HA H 11 3.582 3.582 3.676 -0.094 19285 4737 1 13 . 1 1 11 11 ILE C C 11 178.112 178.112 177.280 0.832 19285 4738 1 13 . 1 1 11 11 ILE CA C 11 63.622 63.622 64.189 -0.567 19285 4739 1 13 . 1 1 11 11 ILE CB C 11 37.340 37.340 38.063 -0.723 19285 4740 1 13 . 1 1 11 11 ILE H H 11 7.592 7.592 7.645 -0.053 19285 4741 1 13 . 1 1 12 12 PHE N N 12 116.960 116.960 115.178 1.782 19285 4742 1 13 . 1 1 12 12 PHE HA H 12 4.477 4.477 4.308 0.169 19285 4743 1 13 . 1 1 12 12 PHE C C 12 176.714 176.714 176.394 0.320 19285 4744 1 13 . 1 1 12 12 PHE CA C 12 58.669 58.669 59.139 -0.470 19285 4745 1 13 . 1 1 12 12 PHE CB C 12 39.165 39.165 39.271 -0.106 19285 4746 1 13 . 1 1 12 12 PHE H H 12 7.554 7.554 7.500 0.054 19285 4747 1 13 . 1 1 13 13 ASP N N 13 119.667 119.667 120.304 -0.637 19285 4748 1 13 . 1 1 13 13 ASP HA H 13 4.474 4.474 4.576 -0.102 19285 4749 1 13 . 1 1 13 13 ASP C C 13 176.772 176.772 176.418 0.354 19285 4750 1 13 . 1 1 13 13 ASP CA C 13 52.106 52.106 53.167 -1.061 19285 4751 1 13 . 1 1 13 13 ASP CB C 13 37.794 37.794 39.043 -1.249 19285 4752 1 13 . 1 1 13 13 ASP H H 13 7.725 7.725 7.858 -0.133 19285 4753 1 13 . 1 1 14 14 LYS N N 14 125.111 125.111 123.221 1.890 19285 4754 1 13 . 1 1 14 14 LYS HA H 14 3.933 3.933 3.999 -0.066 19285 4755 1 13 . 1 1 14 14 LYS C C 14 178.180 178.180 178.110 0.070 19285 4756 1 13 . 1 1 14 14 LYS CA C 14 59.277 59.277 58.671 0.606 19285 4757 1 13 . 1 1 14 14 LYS CB C 14 32.988 32.988 32.556 0.432 19285 4758 1 13 . 1 1 14 14 LYS H H 14 7.577 7.577 8.388 -0.811 19285 4759 1 13 . 1 1 15 15 ASP N N 15 114.010 114.010 117.606 -3.596 19285 4760 1 13 . 1 1 15 15 ASP HA H 15 4.588 4.588 4.511 0.077 19285 4761 1 13 . 1 1 15 15 ASP C C 15 177.680 177.680 177.491 0.189 19285 4762 1 13 . 1 1 15 15 ASP CA C 15 52.565 52.565 55.794 -3.228 19285 4763 1 13 . 1 1 15 15 ASP CB C 15 39.322 39.322 41.291 -1.969 19285 4764 1 13 . 1 1 15 15 ASP H H 15 8.032 8.032 8.600 -0.568 19285 4765 1 13 . 1 1 16 16 GLY N N 16 109.187 109.187 107.315 1.872 19285 4766 1 13 . 1 1 16 16 GLY C C 16 175.043 175.043 174.967 0.076 19285 4767 1 13 . 1 1 16 16 GLY CA C 16 47.001 47.001 45.428 1.573 19285 4768 1 13 . 1 1 16 16 GLY H H 16 7.713 7.713 8.639 -0.926 19285 4769 1 13 . 1 1 17 17 ASN N N 17 118.569 118.569 119.141 -0.572 19285 4770 1 13 . 1 1 17 17 ASN HA H 17 4.600 4.600 4.832 -0.232 19285 4771 1 13 . 1 1 17 17 ASN C C 17 176.026 176.026 176.616 -0.590 19285 4772 1 13 . 1 1 17 17 ASN CA C 17 52.265 52.265 51.991 0.274 19285 4773 1 13 . 1 1 17 17 ASN CB C 17 37.340 37.340 38.910 -1.569 19285 4774 1 13 . 1 1 17 17 ASN H H 17 8.118 8.118 8.144 -0.026 19285 4775 1 13 . 1 1 18 18 GLY N N 18 112.477 112.477 107.880 4.597 19285 4776 1 13 . 1 1 18 18 GLY C C 18 172.479 172.479 173.028 -0.549 19285 4777 1 13 . 1 1 18 18 GLY CA C 18 45.110 45.110 45.575 -0.465 19285 4778 1 13 . 1 1 18 18 GLY H H 18 10.596 10.596 8.661 1.935 19285 4779 1 13 . 1 1 19 19 PHE N N 19 113.792 113.792 116.941 -3.149 19285 4780 1 13 . 1 1 19 19 PHE HA H 19 5.291 5.291 5.212 0.079 19285 4781 1 13 . 1 1 19 19 PHE C C 19 173.646 173.646 174.736 -1.090 19285 4782 1 13 . 1 1 19 19 PHE CA C 19 55.516 55.516 56.723 -1.207 19285 4783 1 13 . 1 1 19 19 PHE CB C 19 43.196 43.196 42.940 0.256 19285 4784 1 13 . 1 1 19 19 PHE H H 19 7.500 7.500 8.452 -0.952 19285 4785 1 13 . 1 1 20 20 ILE N N 20 126.629 126.629 122.864 3.765 19285 4786 1 13 . 1 1 20 20 ILE HA H 20 5.051 5.051 4.633 0.418 19285 4787 1 13 . 1 1 20 20 ILE C C 20 175.764 175.764 175.715 0.049 19285 4788 1 13 . 1 1 20 20 ILE CA C 20 58.933 58.933 59.324 -0.391 19285 4789 1 13 . 1 1 20 20 ILE CB C 20 37.846 37.846 37.557 0.289 19285 4790 1 13 . 1 1 20 20 ILE H H 20 9.988 9.988 9.263 0.725 19285 4791 1 13 . 1 1 21 21 ASP N N 21 129.797 129.797 128.022 1.775 19285 4792 1 13 . 1 1 21 21 ASP HA H 21 5.124 5.124 5.089 0.035 19285 4793 1 13 . 1 1 21 21 ASP C C 21 175.686 175.686 177.492 -1.806 19285 4794 1 13 . 1 1 21 21 ASP CA C 21 52.214 52.214 53.289 -1.075 19285 4795 1 13 . 1 1 21 21 ASP CB C 21 41.907 41.907 43.564 -1.657 19285 4796 1 13 . 1 1 21 21 ASP H H 21 9.322 9.322 9.177 0.145 19285 4797 1 13 . 1 1 22 22 ARG N N 22 118.041 118.041 122.912 -4.871 19285 4798 1 13 . 1 1 22 22 ARG HA H 22 3.359 3.359 3.369 -0.010 19285 4799 1 13 . 1 1 22 22 ARG C C 22 178.803 178.803 178.053 0.750 19285 4800 1 13 . 1 1 22 22 ARG CA C 22 58.193 58.193 60.182 -1.989 19285 4801 1 13 . 1 1 22 22 ARG CB C 22 28.264 28.264 29.822 -1.558 19285 4802 1 13 . 1 1 22 22 ARG H H 22 8.564 8.564 8.888 -0.324 19285 4803 1 13 . 1 1 23 23 GLU N N 23 122.771 122.771 118.376 4.395 19285 4804 1 13 . 1 1 23 23 GLU HA H 23 4.108 4.108 3.994 0.114 19285 4805 1 13 . 1 1 23 23 GLU C C 23 180.100 180.100 178.609 1.491 19285 4806 1 13 . 1 1 23 23 GLU CA C 23 59.392 59.392 59.819 -0.427 19285 4807 1 13 . 1 1 23 23 GLU CB C 23 28.950 28.950 28.775 0.175 19285 4808 1 13 . 1 1 23 23 GLU H H 23 8.309 8.309 8.707 -0.398 19285 4809 1 13 . 1 1 24 24 GLU N N 24 122.272 122.272 119.380 2.892 19285 4810 1 13 . 1 1 24 24 GLU HA H 24 4.179 4.179 4.301 -0.122 19285 4811 1 13 . 1 1 24 24 GLU C C 24 179.466 179.466 178.884 0.582 19285 4812 1 13 . 1 1 24 24 GLU CA C 24 58.237 58.237 58.782 -0.545 19285 4813 1 13 . 1 1 24 24 GLU CB C 24 30.455 30.455 29.511 0.944 19285 4814 1 13 . 1 1 24 24 GLU H H 24 9.062 9.062 8.253 0.809 19285 4815 1 13 . 1 1 25 25 PHE N N 25 118.985 118.985 121.295 -2.310 19285 4816 1 13 . 1 1 25 25 PHE HA H 25 4.050 4.050 4.296 -0.246 19285 4817 1 13 . 1 1 25 25 PHE C C 25 176.876 176.876 177.293 -0.417 19285 4818 1 13 . 1 1 25 25 PHE CA C 25 60.766 60.766 60.903 -0.137 19285 4819 1 13 . 1 1 25 25 PHE CB C 25 40.514 40.514 39.133 1.381 19285 4820 1 13 . 1 1 25 25 PHE H H 25 8.931 8.931 8.711 0.220 19285 4821 1 13 . 1 1 26 26 GLY N N 26 103.509 103.509 107.216 -3.707 19285 4822 1 13 . 1 1 26 26 GLY C C 26 175.475 175.475 175.734 -0.259 19285 4823 1 13 . 1 1 26 26 GLY CA C 26 47.163 47.163 47.294 -0.131 19285 4824 1 13 . 1 1 26 26 GLY H H 26 7.891 7.891 8.474 -0.583 19285 4825 1 13 . 1 1 27 27 ASP N N 27 119.470 119.470 122.878 -3.408 19285 4826 1 13 . 1 1 27 27 ASP HA H 27 4.545 4.545 4.467 0.078 19285 4827 1 13 . 1 1 27 27 ASP C C 27 177.555 177.555 178.742 -1.187 19285 4828 1 13 . 1 1 27 27 ASP CA C 27 56.657 56.657 57.089 -0.432 19285 4829 1 13 . 1 1 27 27 ASP CB C 27 40.521 40.521 40.489 0.032 19285 4830 1 13 . 1 1 27 27 ASP H H 27 7.492 7.492 7.836 -0.344 19285 4831 1 13 . 1 1 28 28 ILE N N 28 119.005 119.005 120.935 -1.930 19285 4832 1 13 . 1 1 28 28 ILE HA H 28 3.222 3.222 3.404 -0.182 19285 4833 1 13 . 1 1 28 28 ILE C C 28 178.112 178.112 177.836 0.276 19285 4834 1 13 . 1 1 28 28 ILE CA C 28 63.693 63.693 65.580 -1.887 19285 4835 1 13 . 1 1 28 28 ILE CB C 28 36.967 36.967 37.653 -0.686 19285 4836 1 13 . 1 1 28 28 ILE H H 28 7.290 7.290 7.718 -0.428 19285 4837 1 13 . 1 1 29 29 ILE N N 29 118.036 118.036 120.139 -2.103 19285 4838 1 13 . 1 1 29 29 ILE HA H 29 3.792 3.792 3.571 0.221 19285 4839 1 13 . 1 1 29 29 ILE C C 29 178.396 178.396 178.422 -0.026 19285 4840 1 13 . 1 1 29 29 ILE CA C 29 61.114 61.114 65.203 -4.089 19285 4841 1 13 . 1 1 29 29 ILE CB C 29 36.103 36.103 37.543 -1.440 19285 4842 1 13 . 1 1 29 29 ILE H H 29 7.217 7.217 7.440 -0.223 19285 4843 1 13 . 1 1 30 30 ARG N N 30 120.280 120.280 119.181 1.099 19285 4844 1 13 . 1 1 30 30 ARG HA H 30 4.165 4.165 4.008 0.157 19285 4845 1 13 . 1 1 30 30 ARG C C 30 178.243 178.243 179.254 -1.011 19285 4846 1 13 . 1 1 30 30 ARG CA C 30 58.528 58.528 59.536 -1.008 19285 4847 1 13 . 1 1 30 30 ARG CB C 30 29.873 29.873 30.349 -0.477 19285 4848 1 13 . 1 1 30 30 ARG H H 30 7.748 7.748 7.881 -0.133 19285 4849 1 13 . 1 1 31 31 LEU N N 31 119.077 119.077 119.050 0.027 19285 4850 1 13 . 1 1 31 31 LEU HA H 31 4.211 4.211 4.207 0.004 19285 4851 1 13 . 1 1 31 31 LEU C C 31 178.573 178.573 178.826 -0.253 19285 4852 1 13 . 1 1 31 31 LEU CA C 31 56.866 56.866 57.291 -0.425 19285 4853 1 13 . 1 1 31 31 LEU CB C 31 41.900 41.900 42.290 -0.390 19285 4854 1 13 . 1 1 31 31 LEU H H 31 7.614 7.614 8.414 -0.800 19285 4855 1 13 . 1 1 32 32 THR N N 32 108.038 108.038 108.762 -0.724 19285 4856 1 13 . 1 1 32 32 THR HA H 32 4.346 4.346 4.293 0.053 19285 4857 1 13 . 1 1 32 32 THR C C 32 175.796 175.796 176.129 -0.333 19285 4858 1 13 . 1 1 32 32 THR CA C 32 62.532 62.532 62.654 -0.122 19285 4859 1 13 . 1 1 32 32 THR CB C 32 70.251 70.251 69.714 0.537 19285 4860 1 13 . 1 1 32 32 THR H H 32 7.652 7.652 7.920 -0.268 19285 4861 1 13 . 1 1 33 33 GLY N N 33 109.261 109.261 110.907 -1.646 19285 4862 1 13 . 1 1 33 33 GLY C C 33 174.020 174.020 173.947 0.073 19285 4863 1 13 . 1 1 33 33 GLY CA C 33 45.617 45.617 45.335 0.282 19285 4864 1 13 . 1 1 33 33 GLY H H 33 7.812 7.812 7.814 -0.002 19285 4865 1 13 . 1 1 34 34 GLU N N 34 120.265 120.265 120.211 0.054 19285 4866 1 13 . 1 1 34 34 GLU HA H 34 4.264 4.264 4.370 -0.106 19285 4867 1 13 . 1 1 34 34 GLU C C 34 176.124 176.124 176.521 -0.397 19285 4868 1 13 . 1 1 34 34 GLU CA C 34 56.198 56.198 54.905 1.293 19285 4869 1 13 . 1 1 34 34 GLU CB C 34 30.221 30.221 30.584 -0.363 19285 4870 1 13 . 1 1 34 34 GLU H H 34 7.857 7.857 7.924 -0.067 19285 4871 1 13 . 1 1 35 35 GLN N N 35 122.159 122.159 125.076 -2.917 19285 4872 1 13 . 1 1 35 35 GLN HA H 35 4.319 4.319 4.339 -0.020 19285 4873 1 13 . 1 1 35 35 GLN C C 35 174.957 174.957 175.558 -0.601 19285 4874 1 13 . 1 1 35 35 GLN CA C 35 55.489 55.489 55.139 0.349 19285 4875 1 13 . 1 1 35 35 GLN CB C 35 27.772 27.772 26.774 0.998 19285 4876 1 13 . 1 1 35 35 GLN H H 35 8.683 8.683 8.625 0.058 19285 4877 1 13 . 1 1 36 36 LEU N N 36 124.703 124.703 124.003 0.700 19285 4878 1 13 . 1 1 36 36 LEU HA H 36 4.764 4.764 4.744 0.020 19285 4879 1 13 . 1 1 36 36 LEU C C 36 177.647 177.647 177.276 0.371 19285 4880 1 13 . 1 1 36 36 LEU CA C 36 53.868 53.868 53.507 0.361 19285 4881 1 13 . 1 1 36 36 LEU CB C 36 44.448 44.448 44.605 -0.157 19285 4882 1 13 . 1 1 36 36 LEU H H 36 7.790 7.790 7.881 -0.091 19285 4883 1 13 . 1 1 37 37 THR N N 37 114.475 114.475 112.969 1.506 19285 4884 1 13 . 1 1 37 37 THR HA H 37 4.485 4.485 4.524 -0.039 19285 4885 1 13 . 1 1 37 37 THR C C 37 175.339 175.339 175.178 0.161 19285 4886 1 13 . 1 1 37 37 THR CA C 37 60.591 60.591 60.492 0.099 19285 4887 1 13 . 1 1 37 37 THR CB C 37 71.227 71.227 70.926 0.301 19285 4888 1 13 . 1 1 37 37 THR H H 37 9.146 9.146 9.136 0.010 19285 4889 1 13 . 1 1 38 38 ASP N N 38 120.839 120.839 121.239 -0.400 19285 4890 1 13 . 1 1 38 38 ASP HA H 38 4.255 4.255 4.363 -0.108 19285 4891 1 13 . 1 1 38 38 ASP C C 38 177.870 177.870 178.663 -0.793 19285 4892 1 13 . 1 1 38 38 ASP CA C 38 57.889 57.889 57.570 0.319 19285 4893 1 13 . 1 1 38 38 ASP CB C 38 39.895 39.895 40.256 -0.361 19285 4894 1 13 . 1 1 38 38 ASP H H 38 8.857 8.857 8.829 0.028 19285 4895 1 13 . 1 1 39 39 GLU N N 39 118.596 118.596 119.450 -0.854 19285 4896 1 13 . 1 1 39 39 GLU HA H 39 4.120 4.120 4.079 0.041 19285 4897 1 13 . 1 1 39 39 GLU C C 39 179.052 179.052 178.563 0.489 19285 4898 1 13 . 1 1 39 39 GLU CA C 39 59.662 59.662 59.269 0.393 19285 4899 1 13 . 1 1 39 39 GLU CB C 39 28.823 28.823 29.557 -0.734 19285 4900 1 13 . 1 1 39 39 GLU H H 39 8.389 8.389 8.574 -0.185 19285 4901 1 13 . 1 1 40 40 ASP N N 40 121.412 121.412 120.814 0.598 19285 4902 1 13 . 1 1 40 40 ASP HA H 40 4.460 4.460 4.482 -0.022 19285 4903 1 13 . 1 1 40 40 ASP C C 40 179.307 179.307 178.973 0.334 19285 4904 1 13 . 1 1 40 40 ASP CA C 40 57.164 57.164 57.376 -0.212 19285 4905 1 13 . 1 1 40 40 ASP CB C 40 41.229 41.229 40.496 0.733 19285 4906 1 13 . 1 1 40 40 ASP H H 40 7.768 7.768 8.037 -0.269 19285 4907 1 13 . 1 1 41 41 VAL N N 41 121.053 121.053 120.585 0.468 19285 4908 1 13 . 1 1 41 41 VAL HA H 41 3.605 3.605 3.833 -0.228 19285 4909 1 13 . 1 1 41 41 VAL C C 41 177.685 177.685 178.195 -0.510 19285 4910 1 13 . 1 1 41 41 VAL CA C 41 67.286 67.286 66.863 0.423 19285 4911 1 13 . 1 1 41 41 VAL CB C 41 31.498 31.498 31.846 -0.349 19285 4912 1 13 . 1 1 41 41 VAL H H 41 8.215 8.215 8.274 -0.059 19285 4913 1 13 . 1 1 42 42 ASP N N 42 120.507 120.507 119.638 0.869 19285 4914 1 13 . 1 1 42 42 ASP HA H 42 4.213 4.213 4.471 -0.258 19285 4915 1 13 . 1 1 42 42 ASP C C 42 179.444 179.444 178.799 0.645 19285 4916 1 13 . 1 1 42 42 ASP CA C 42 57.744 57.744 57.624 0.120 19285 4917 1 13 . 1 1 42 42 ASP CB C 42 40.082 40.082 40.329 -0.247 19285 4918 1 13 . 1 1 42 42 ASP H H 42 8.527 8.527 8.073 0.454 19285 4919 1 13 . 1 1 43 43 GLU N N 43 121.091 121.091 120.946 0.145 19285 4920 1 13 . 1 1 43 43 GLU HA H 43 4.119 4.119 4.102 0.017 19285 4921 1 13 . 1 1 43 43 GLU C C 43 178.328 178.328 179.073 -0.745 19285 4922 1 13 . 1 1 43 43 GLU CA C 43 59.264 59.264 59.465 -0.202 19285 4923 1 13 . 1 1 43 43 GLU CB C 43 29.277 29.277 29.822 -0.545 19285 4924 1 13 . 1 1 43 43 GLU H H 43 7.758 7.758 8.209 -0.451 19285 4925 1 13 . 1 1 44 44 ILE N N 44 120.248 120.248 119.947 0.301 19285 4926 1 13 . 1 1 44 44 ILE HA H 44 3.957 3.957 3.761 0.196 19285 4927 1 13 . 1 1 44 44 ILE C C 44 179.412 179.412 178.010 1.402 19285 4928 1 13 . 1 1 44 44 ILE CA C 44 64.747 64.747 65.207 -0.460 19285 4929 1 13 . 1 1 44 44 ILE CB C 44 38.919 38.919 38.139 0.779 19285 4930 1 13 . 1 1 44 44 ILE H H 44 7.934 7.934 8.281 -0.347 19285 4931 1 13 . 1 1 45 45 PHE N N 45 124.028 124.028 121.269 2.759 19285 4932 1 13 . 1 1 45 45 PHE HA H 45 3.126 3.126 3.720 -0.594 19285 4933 1 13 . 1 1 45 45 PHE C C 45 176.732 176.732 177.737 -1.005 19285 4934 1 13 . 1 1 45 45 PHE CA C 45 62.039 62.039 61.154 0.885 19285 4935 1 13 . 1 1 45 45 PHE CB C 45 38.562 38.562 38.714 -0.152 19285 4936 1 13 . 1 1 45 45 PHE H H 45 9.019 9.019 8.448 0.571 19285 4937 1 13 . 1 1 46 46 GLY N N 46 104.229 104.229 105.840 -1.611 19285 4938 1 13 . 1 1 46 46 GLY C C 46 176.365 176.365 176.212 0.153 19285 4939 1 13 . 1 1 46 46 GLY CA C 46 47.055 47.055 47.092 -0.037 19285 4940 1 13 . 1 1 46 46 GLY H H 46 8.219 8.219 8.395 -0.176 19285 4941 1 13 . 1 1 47 47 ASP N N 47 119.686 119.686 121.690 -2.004 19285 4942 1 13 . 1 1 47 47 ASP HA H 47 4.343 4.343 4.448 -0.105 19285 4943 1 13 . 1 1 47 47 ASP C C 47 178.101 178.101 177.840 0.261 19285 4944 1 13 . 1 1 47 47 ASP CA C 47 56.235 56.235 56.605 -0.370 19285 4945 1 13 . 1 1 47 47 ASP CB C 47 40.558 40.558 40.600 -0.042 19285 4946 1 13 . 1 1 47 47 ASP H H 47 8.106 8.106 8.198 -0.092 19285 4947 1 13 . 1 1 48 48 SER N N 48 113.923 113.923 111.838 2.085 19285 4948 1 13 . 1 1 48 48 SER HA H 48 4.281 4.281 4.200 0.081 19285 4949 1 13 . 1 1 48 48 SER C C 48 173.432 173.432 175.071 -1.639 19285 4950 1 13 . 1 1 48 48 SER CA C 48 59.878 59.878 59.491 0.387 19285 4951 1 13 . 1 1 48 48 SER CB C 48 63.709 63.709 63.663 0.047 19285 4952 1 13 . 1 1 48 48 SER H H 48 7.567 7.567 7.792 -0.225 19285 4953 1 13 . 1 1 49 49 ASP N N 49 121.595 121.595 123.324 -1.729 19285 4954 1 13 . 1 1 49 49 ASP HA H 49 4.424 4.424 4.604 -0.180 19285 4955 1 13 . 1 1 49 49 ASP C C 49 177.055 177.055 177.065 -0.010 19285 4956 1 13 . 1 1 49 49 ASP CA C 49 51.836 51.836 52.454 -0.618 19285 4957 1 13 . 1 1 49 49 ASP CB C 49 38.427 38.427 39.221 -0.794 19285 4958 1 13 . 1 1 49 49 ASP H H 49 7.323 7.323 7.570 -0.247 19285 4959 1 13 . 1 1 50 50 THR N N 50 119.204 119.204 119.048 0.156 19285 4960 1 13 . 1 1 50 50 THR HA H 50 3.863 3.863 3.995 -0.132 19285 4961 1 13 . 1 1 50 50 THR C C 50 176.041 176.041 175.301 0.740 19285 4962 1 13 . 1 1 50 50 THR CA C 50 65.351 65.351 65.421 -0.070 19285 4963 1 13 . 1 1 50 50 THR CB C 50 68.597 68.597 69.056 -0.459 19285 4964 1 13 . 1 1 50 50 THR H H 50 7.841 7.841 7.839 0.002 19285 4965 1 13 . 1 1 51 51 ASP N N 51 117.233 117.233 117.362 -0.129 19285 4966 1 13 . 1 1 51 51 ASP HA H 51 4.607 4.607 4.641 -0.034 19285 4967 1 13 . 1 1 51 51 ASP C C 51 175.994 175.994 175.335 0.659 19285 4968 1 13 . 1 1 51 51 ASP CA C 51 52.795 52.795 53.267 -0.472 19285 4969 1 13 . 1 1 51 51 ASP CB C 51 39.098 39.098 40.291 -1.193 19285 4970 1 13 . 1 1 51 51 ASP H H 51 7.972 7.972 8.256 -0.284 19285 4971 1 13 . 1 1 52 52 LYS N N 52 113.938 113.938 116.765 -2.827 19285 4972 1 13 . 1 1 52 52 LYS HA H 52 3.961 3.961 4.100 -0.139 19285 4973 1 13 . 1 1 52 52 LYS C C 52 176.126 176.126 176.082 0.044 19285 4974 1 13 . 1 1 52 52 LYS CA C 52 56.238 56.238 57.114 -0.876 19285 4975 1 13 . 1 1 52 52 LYS CB C 52 28.711 28.711 29.533 -0.822 19285 4976 1 13 . 1 1 52 52 LYS H H 52 7.729 7.729 7.844 -0.115 19285 4977 1 13 . 1 1 53 53 ASN N N 53 117.127 117.127 117.239 -0.112 19285 4978 1 13 . 1 1 53 53 ASN HA H 53 4.764 4.764 4.702 0.062 19285 4979 1 13 . 1 1 53 53 ASN C C 53 177.056 177.056 176.481 0.575 19285 4980 1 13 . 1 1 53 53 ASN CA C 53 51.626 51.626 52.422 -0.796 19285 4981 1 13 . 1 1 53 53 ASN CB C 53 37.742 37.742 38.833 -1.091 19285 4982 1 13 . 1 1 53 53 ASN H H 53 8.193 8.193 8.647 -0.454 19285 4983 1 13 . 1 1 54 54 GLY N N 54 113.327 113.327 109.739 3.588 19285 4984 1 13 . 1 1 54 54 GLY C C 54 172.983 172.983 173.427 -0.444 19285 4985 1 13 . 1 1 54 54 GLY CA C 54 45.671 45.671 45.636 0.035 19285 4986 1 13 . 1 1 54 54 GLY H H 54 10.782 10.782 9.132 1.650 19285 4987 1 13 . 1 1 55 55 ARG N N 55 115.634 115.634 118.318 -2.684 19285 4988 1 13 . 1 1 55 55 ARG HA H 55 4.826 4.826 5.128 -0.302 19285 4989 1 13 . 1 1 55 55 ARG C C 55 173.745 173.745 175.049 -1.304 19285 4990 1 13 . 1 1 55 55 ARG CA C 55 54.044 54.044 53.840 0.204 19285 4991 1 13 . 1 1 55 55 ARG CB C 55 33.457 33.457 33.523 -0.066 19285 4992 1 13 . 1 1 55 55 ARG H H 55 7.501 7.501 8.360 -0.859 19285 4993 1 13 . 1 1 56 56 ILE N N 56 127.446 127.446 123.954 3.492 19285 4994 1 13 . 1 1 56 56 ILE HA H 56 5.127 5.127 4.310 0.817 19285 4995 1 13 . 1 1 56 56 ILE C C 56 175.886 175.886 175.113 0.773 19285 4996 1 13 . 1 1 56 56 ILE CA C 56 58.892 58.892 60.583 -1.691 19285 4997 1 13 . 1 1 56 56 ILE CB C 56 36.907 36.907 39.579 -2.672 19285 4998 1 13 . 1 1 56 56 ILE H H 56 9.592 9.592 9.109 0.483 19285 4999 1 13 . 1 1 57 57 ASP N N 57 129.499 129.499 128.453 1.046 19285 5000 1 13 . 1 1 57 57 ASP HA H 57 5.185 5.185 5.012 0.173 19285 5001 1 13 . 1 1 57 57 ASP C C 57 175.630 175.630 176.932 -1.302 19285 5002 1 13 . 1 1 57 57 ASP CA C 57 52.329 52.329 52.967 -0.638 19285 5003 1 13 . 1 1 57 57 ASP CB C 57 42.175 42.175 41.728 0.447 19285 5004 1 13 . 1 1 57 57 ASP H H 57 9.267 9.267 8.561 0.706 19285 5005 1 13 . 1 1 58 58 PHE N N 58 118.391 118.391 119.042 -0.651 19285 5006 1 13 . 1 1 58 58 PHE HA H 58 3.761 3.761 4.011 -0.250 19285 5007 1 13 . 1 1 58 58 PHE C C 58 176.306 176.306 176.563 -0.257 19285 5008 1 13 . 1 1 58 58 PHE CA C 58 61.806 61.806 61.956 -0.150 19285 5009 1 13 . 1 1 58 58 PHE CB C 58 38.539 38.539 39.136 -0.597 19285 5010 1 13 . 1 1 58 58 PHE H H 58 8.799 8.799 8.878 -0.079 19285 5011 1 13 . 1 1 59 59 ASP N N 59 118.077 118.077 118.554 -0.477 19285 5012 1 13 . 1 1 59 59 ASP HA H 59 4.167 4.167 4.338 -0.171 19285 5013 1 13 . 1 1 59 59 ASP C C 59 179.808 179.808 179.242 0.566 19285 5014 1 13 . 1 1 59 59 ASP CA C 59 57.781 57.781 57.748 0.033 19285 5015 1 13 . 1 1 59 59 ASP CB C 59 41.399 41.399 39.990 1.409 19285 5016 1 13 . 1 1 59 59 ASP H H 59 7.930 7.930 8.575 -0.645 19285 5017 1 13 . 1 1 60 60 GLU N N 60 117.047 117.047 119.470 -2.423 19285 5018 1 13 . 1 1 60 60 GLU HA H 60 3.967 3.967 4.161 -0.194 19285 5019 1 13 . 1 1 60 60 GLU C C 60 180.287 180.287 178.853 1.434 19285 5020 1 13 . 1 1 60 60 GLU CA C 60 58.326 58.326 58.164 0.162 19285 5021 1 13 . 1 1 60 60 GLU CB C 60 29.925 29.925 29.472 0.453 19285 5022 1 13 . 1 1 60 60 GLU H H 60 7.331 7.331 8.831 -1.500 19285 5023 1 13 . 1 1 61 61 PHE N N 61 124.075 124.075 122.605 1.470 19285 5024 1 13 . 1 1 61 61 PHE HA H 61 4.155 4.155 4.173 -0.018 19285 5025 1 13 . 1 1 61 61 PHE C C 61 176.012 176.012 177.217 -1.205 19285 5026 1 13 . 1 1 61 61 PHE CA C 61 61.100 61.100 61.565 -0.465 19285 5027 1 13 . 1 1 61 61 PHE CB C 61 39.493 39.493 39.180 0.313 19285 5028 1 13 . 1 1 61 61 PHE H H 61 9.079 9.079 8.562 0.517 19285 5029 1 13 . 1 1 62 62 LEU N N 62 119.964 119.964 118.957 1.007 19285 5030 1 13 . 1 1 62 62 LEU HA H 62 3.501 3.501 3.601 -0.100 19285 5031 1 13 . 1 1 62 62 LEU C C 62 179.855 179.855 178.878 0.977 19285 5032 1 13 . 1 1 62 62 LEU CA C 62 58.109 58.109 57.889 0.220 19285 5033 1 13 . 1 1 62 62 LEU CB C 62 40.495 40.495 41.006 -0.511 19285 5034 1 13 . 1 1 62 62 LEU H H 62 8.416 8.416 8.105 0.311 19285 5035 1 13 . 1 1 63 63 LYS N N 63 121.221 121.221 118.651 2.570 19285 5036 1 13 . 1 1 63 63 LYS HA H 63 4.060 4.060 3.968 0.092 19285 5037 1 13 . 1 1 63 63 LYS C C 63 178.875 178.875 179.064 -0.189 19285 5038 1 13 . 1 1 63 63 LYS CA C 63 58.288 58.288 59.294 -1.006 19285 5039 1 13 . 1 1 63 63 LYS CB C 63 31.683 31.683 32.274 -0.591 19285 5040 1 13 . 1 1 63 63 LYS H H 63 8.804 8.804 7.269 1.535 19285 5041 1 13 . 1 1 64 64 MET N N 64 119.896 119.896 119.016 0.880 19285 5042 1 13 . 1 1 64 64 MET HA H 64 4.108 4.108 4.298 -0.190 19285 5043 1 13 . 1 1 64 64 MET C C 64 178.427 178.427 178.553 -0.126 19285 5044 1 13 . 1 1 64 64 MET CA C 64 58.374 58.374 57.342 1.032 19285 5045 1 13 . 1 1 64 64 MET CB C 64 32.200 32.200 32.098 0.102 19285 5046 1 13 . 1 1 64 64 MET H H 64 7.895 7.895 8.022 -0.127 19285 5047 1 13 . 1 1 65 65 MET N N 65 116.299 116.299 117.385 -1.086 19285 5048 1 13 . 1 1 65 65 MET HA H 65 4.337 4.337 4.048 0.289 19285 5049 1 13 . 1 1 65 65 MET C C 65 178.184 178.184 178.147 0.037 19285 5050 1 13 . 1 1 65 65 MET CA C 65 55.118 55.118 56.702 -1.584 19285 5051 1 13 . 1 1 65 65 MET CB C 65 30.790 30.790 30.993 -0.203 19285 5052 1 13 . 1 1 65 65 MET H H 65 7.859 7.859 7.992 -0.133 19285 5053 1 13 . 1 1 66 66 GLU N N 66 119.624 119.624 118.167 1.457 19285 5054 1 13 . 1 1 66 66 GLU HA H 66 4.091 4.091 4.058 0.033 19285 5055 1 13 . 1 1 66 66 GLU C C 66 177.017 177.017 178.254 -1.237 19285 5056 1 13 . 1 1 66 66 GLU CA C 66 58.092 58.092 58.284 -0.192 19285 5057 1 13 . 1 1 66 66 GLU CB C 66 29.619 29.619 29.872 -0.253 19285 5058 1 13 . 1 1 66 66 GLU H H 66 7.568 7.568 7.400 0.168 19285 5059 1 13 . 1 1 67 67 ASN N N 67 116.153 116.153 116.008 0.145 19285 5060 1 13 . 1 1 67 67 ASN HA H 67 4.776 4.776 4.646 0.130 19285 5061 1 13 . 1 1 67 67 ASN C C 67 175.231 175.231 176.076 -0.845 19285 5062 1 13 . 1 1 67 67 ASN CA C 67 53.440 53.440 54.712 -1.272 19285 5063 1 13 . 1 1 67 67 ASN CB C 67 39.284 39.284 39.500 -0.216 19285 5064 1 13 . 1 1 67 67 ASN H H 67 7.819 7.819 8.027 -0.208 19285 5065 1 13 . 1 1 68 68 VAL N N 68 119.217 119.217 121.511 -2.294 19285 5066 1 13 . 1 1 68 68 VAL HA H 68 4.147 4.147 4.072 0.075 19285 5067 1 13 . 1 1 68 68 VAL C C 68 175.101 175.101 174.680 0.421 19285 5068 1 13 . 1 1 68 68 VAL CA C 68 62.576 62.576 62.350 0.226 19285 5069 1 13 . 1 1 68 68 VAL CB C 68 32.250 32.250 30.964 1.286 19285 5070 1 13 . 1 1 68 68 VAL H H 68 7.641 7.641 8.060 -0.419 19285 5071 1 14 . 1 1 2 2 GLU N N 2 122.304 122.304 121.265 1.039 19285 5072 1 14 . 1 1 2 2 GLU HA H 2 4.059 4.059 4.125 -0.066 19285 5073 1 14 . 1 1 2 2 GLU C C 2 178.560 178.560 178.358 0.202 19285 5074 1 14 . 1 1 2 2 GLU CA C 2 59.898 59.898 59.214 0.684 19285 5075 1 14 . 1 1 2 2 GLU CB C 2 29.215 29.215 29.689 -0.473 19285 5076 1 14 . 1 1 2 2 GLU H H 2 8.881 8.881 8.907 -0.026 19285 5077 1 14 . 1 1 3 3 GLU N N 3 120.033 120.033 118.976 1.057 19285 5078 1 14 . 1 1 3 3 GLU HA H 3 4.155 4.155 4.200 -0.045 19285 5079 1 14 . 1 1 3 3 GLU C C 3 179.048 179.048 179.067 -0.019 19285 5080 1 14 . 1 1 3 3 GLU CA C 3 59.270 59.270 59.389 -0.119 19285 5081 1 14 . 1 1 3 3 GLU CB C 3 29.343 29.343 29.503 -0.160 19285 5082 1 14 . 1 1 3 3 GLU H H 3 8.528 8.528 8.584 -0.056 19285 5083 1 14 . 1 1 4 4 GLU N N 4 120.958 120.958 120.007 0.951 19285 5084 1 14 . 1 1 4 4 GLU HA H 4 4.176 4.176 4.196 -0.020 19285 5085 1 14 . 1 1 4 4 GLU C C 4 179.840 179.840 179.319 0.521 19285 5086 1 14 . 1 1 4 4 GLU CA C 4 58.953 58.953 59.047 -0.094 19285 5087 1 14 . 1 1 4 4 GLU CB C 4 29.586 29.586 29.815 -0.229 19285 5088 1 14 . 1 1 4 4 GLU H H 4 8.101 8.101 7.902 0.199 19285 5089 1 14 . 1 1 5 5 LEU N N 5 120.900 120.900 119.309 1.591 19285 5090 1 14 . 1 1 5 5 LEU HA H 5 4.395 4.395 4.568 -0.173 19285 5091 1 14 . 1 1 5 5 LEU C C 5 179.432 179.432 179.113 0.319 19285 5092 1 14 . 1 1 5 5 LEU CA C 5 57.940 57.940 56.568 1.373 19285 5093 1 14 . 1 1 5 5 LEU CB C 5 41.647 41.647 41.958 -0.311 19285 5094 1 14 . 1 1 5 5 LEU H H 5 8.570 8.570 8.119 0.451 19285 5095 1 14 . 1 1 6 6 SER N N 6 116.354 116.354 117.547 -1.193 19285 5096 1 14 . 1 1 6 6 SER HA H 6 4.261 4.261 4.206 0.055 19285 5097 1 14 . 1 1 6 6 SER C C 6 176.745 176.745 176.682 0.063 19285 5098 1 14 . 1 1 6 6 SER CA C 6 61.992 61.992 62.448 -0.456 19285 5099 1 14 . 1 1 6 6 SER CB C 6 62.341 62.341 62.916 -0.575 19285 5100 1 14 . 1 1 6 6 SER H H 6 8.604 8.604 8.510 0.094 19285 5101 1 14 . 1 1 7 7 GLU N N 7 122.072 122.072 121.793 0.279 19285 5102 1 14 . 1 1 7 7 GLU HA H 7 4.190 4.190 4.124 0.066 19285 5103 1 14 . 1 1 7 7 GLU C C 7 178.189 178.189 179.029 -0.840 19285 5104 1 14 . 1 1 7 7 GLU CA C 7 58.831 58.831 59.271 -0.440 19285 5105 1 14 . 1 1 7 7 GLU CB C 7 28.965 28.965 29.587 -0.622 19285 5106 1 14 . 1 1 7 7 GLU H H 7 7.720 7.720 7.782 -0.062 19285 5107 1 14 . 1 1 8 8 CYS N N 8 117.904 117.904 118.015 -0.111 19285 5108 1 14 . 1 1 8 8 CYS HA H 8 4.053 4.053 4.187 -0.134 19285 5109 1 14 . 1 1 8 8 CYS C C 8 175.681 175.681 176.909 -1.228 19285 5110 1 14 . 1 1 8 8 CYS CA C 8 62.437 62.437 63.459 -1.022 19285 5111 1 14 . 1 1 8 8 CYS CB C 8 26.416 26.416 26.655 -0.239 19285 5112 1 14 . 1 1 8 8 CYS H H 8 8.019 8.019 7.702 0.317 19285 5113 1 14 . 1 1 9 9 PHE N N 9 119.590 119.590 121.538 -1.948 19285 5114 1 14 . 1 1 9 9 PHE HA H 9 3.351 3.351 3.530 -0.179 19285 5115 1 14 . 1 1 9 9 PHE C C 9 175.681 175.681 176.954 -1.273 19285 5116 1 14 . 1 1 9 9 PHE CA C 9 62.181 62.181 61.994 0.187 19285 5117 1 14 . 1 1 9 9 PHE CB C 9 39.277 39.277 38.428 0.849 19285 5118 1 14 . 1 1 9 9 PHE H H 9 8.427 8.427 8.862 -0.435 19285 5119 1 14 . 1 1 10 10 ARG N N 10 114.910 114.910 117.729 -2.819 19285 5120 1 14 . 1 1 10 10 ARG HA H 10 3.953 3.953 3.773 0.180 19285 5121 1 14 . 1 1 10 10 ARG C C 10 178.486 178.486 178.266 0.220 19285 5122 1 14 . 1 1 10 10 ARG CA C 10 58.967 58.967 59.219 -0.252 19285 5123 1 14 . 1 1 10 10 ARG CB C 10 29.948 29.948 30.107 -0.159 19285 5124 1 14 . 1 1 10 10 ARG H H 10 7.558 7.558 7.673 -0.115 19285 5125 1 14 . 1 1 11 11 ILE N N 11 118.349 118.349 118.607 -0.258 19285 5126 1 14 . 1 1 11 11 ILE HA H 11 3.582 3.582 3.648 -0.066 19285 5127 1 14 . 1 1 11 11 ILE C C 11 178.112 178.112 177.159 0.953 19285 5128 1 14 . 1 1 11 11 ILE CA C 11 63.622 63.622 64.157 -0.535 19285 5129 1 14 . 1 1 11 11 ILE CB C 11 37.340 37.340 37.997 -0.657 19285 5130 1 14 . 1 1 11 11 ILE H H 11 7.592 7.592 7.404 0.188 19285 5131 1 14 . 1 1 12 12 PHE N N 12 116.960 116.960 115.149 1.811 19285 5132 1 14 . 1 1 12 12 PHE HA H 12 4.477 4.477 4.296 0.181 19285 5133 1 14 . 1 1 12 12 PHE C C 12 176.714 176.714 176.605 0.109 19285 5134 1 14 . 1 1 12 12 PHE CA C 12 58.669 58.669 59.208 -0.539 19285 5135 1 14 . 1 1 12 12 PHE CB C 12 39.165 39.165 39.342 -0.177 19285 5136 1 14 . 1 1 12 12 PHE H H 12 7.554 7.554 7.906 -0.352 19285 5137 1 14 . 1 1 13 13 ASP N N 13 119.667 119.667 119.057 0.610 19285 5138 1 14 . 1 1 13 13 ASP HA H 13 4.474 4.474 4.712 -0.238 19285 5139 1 14 . 1 1 13 13 ASP C C 13 176.772 176.772 176.086 0.686 19285 5140 1 14 . 1 1 13 13 ASP CA C 13 52.106 52.106 52.550 -0.444 19285 5141 1 14 . 1 1 13 13 ASP CB C 13 37.794 37.794 38.395 -0.601 19285 5142 1 14 . 1 1 13 13 ASP H H 13 7.725 7.725 7.950 -0.225 19285 5143 1 14 . 1 1 14 14 LYS N N 14 125.111 125.111 122.002 3.109 19285 5144 1 14 . 1 1 14 14 LYS HA H 14 3.933 3.933 4.046 -0.113 19285 5145 1 14 . 1 1 14 14 LYS C C 14 178.180 178.180 177.695 0.485 19285 5146 1 14 . 1 1 14 14 LYS CA C 14 59.277 59.277 58.155 1.122 19285 5147 1 14 . 1 1 14 14 LYS CB C 14 32.988 32.988 32.554 0.434 19285 5148 1 14 . 1 1 14 14 LYS H H 14 7.577 7.577 7.953 -0.376 19285 5149 1 14 . 1 1 15 15 ASP N N 15 114.010 114.010 117.731 -3.721 19285 5150 1 14 . 1 1 15 15 ASP HA H 15 4.588 4.588 4.515 0.073 19285 5151 1 14 . 1 1 15 15 ASP C C 15 177.680 177.680 177.252 0.428 19285 5152 1 14 . 1 1 15 15 ASP CA C 15 52.565 52.565 55.057 -2.492 19285 5153 1 14 . 1 1 15 15 ASP CB C 15 39.322 39.322 41.061 -1.739 19285 5154 1 14 . 1 1 15 15 ASP H H 15 8.032 8.032 8.503 -0.471 19285 5155 1 14 . 1 1 16 16 GLY N N 16 109.187 109.187 106.357 2.830 19285 5156 1 14 . 1 1 16 16 GLY C C 16 175.043 175.043 174.782 0.261 19285 5157 1 14 . 1 1 16 16 GLY CA C 16 47.001 47.001 45.159 1.842 19285 5158 1 14 . 1 1 16 16 GLY H H 16 7.713 7.713 8.128 -0.415 19285 5159 1 14 . 1 1 17 17 ASN N N 17 118.569 118.569 118.564 0.005 19285 5160 1 14 . 1 1 17 17 ASN HA H 17 4.600 4.600 4.640 -0.040 19285 5161 1 14 . 1 1 17 17 ASN C C 17 176.026 176.026 175.933 0.093 19285 5162 1 14 . 1 1 17 17 ASN CA C 17 52.265 52.265 52.613 -0.348 19285 5163 1 14 . 1 1 17 17 ASN CB C 17 37.340 37.340 38.681 -1.341 19285 5164 1 14 . 1 1 17 17 ASN H H 17 8.118 8.118 8.351 -0.233 19285 5165 1 14 . 1 1 18 18 GLY N N 18 112.477 112.477 108.596 3.881 19285 5166 1 14 . 1 1 18 18 GLY C C 18 172.479 172.479 173.336 -0.857 19285 5167 1 14 . 1 1 18 18 GLY CA C 18 45.110 45.110 45.597 -0.487 19285 5168 1 14 . 1 1 18 18 GLY H H 18 10.596 10.596 8.829 1.767 19285 5169 1 14 . 1 1 19 19 PHE N N 19 113.792 113.792 113.006 0.786 19285 5170 1 14 . 1 1 19 19 PHE HA H 19 5.291 5.291 5.105 0.186 19285 5171 1 14 . 1 1 19 19 PHE C C 19 173.646 173.646 173.053 0.593 19285 5172 1 14 . 1 1 19 19 PHE CA C 19 55.516 55.516 55.491 0.025 19285 5173 1 14 . 1 1 19 19 PHE CB C 19 43.196 43.196 40.719 2.477 19285 5174 1 14 . 1 1 19 19 PHE H H 19 7.500 7.500 6.835 0.665 19285 5175 1 14 . 1 1 20 20 ILE N N 20 126.629 126.629 121.847 4.782 19285 5176 1 14 . 1 1 20 20 ILE HA H 20 5.051 5.051 4.817 0.234 19285 5177 1 14 . 1 1 20 20 ILE C C 20 175.764 175.764 175.897 -0.133 19285 5178 1 14 . 1 1 20 20 ILE CA C 20 58.933 58.933 59.622 -0.689 19285 5179 1 14 . 1 1 20 20 ILE CB C 20 37.846 37.846 37.355 0.491 19285 5180 1 14 . 1 1 20 20 ILE H H 20 9.988 9.988 9.183 0.805 19285 5181 1 14 . 1 1 21 21 ASP N N 21 129.797 129.797 128.577 1.220 19285 5182 1 14 . 1 1 21 21 ASP HA H 21 5.124 5.124 5.047 0.077 19285 5183 1 14 . 1 1 21 21 ASP C C 21 175.686 175.686 177.146 -1.460 19285 5184 1 14 . 1 1 21 21 ASP CA C 21 52.214 52.214 53.157 -0.943 19285 5185 1 14 . 1 1 21 21 ASP CB C 21 41.907 41.907 44.206 -2.300 19285 5186 1 14 . 1 1 21 21 ASP H H 21 9.322 9.322 9.163 0.159 19285 5187 1 14 . 1 1 22 22 ARG N N 22 118.041 118.041 121.545 -3.504 19285 5188 1 14 . 1 1 22 22 ARG HA H 22 3.359 3.359 2.986 0.373 19285 5189 1 14 . 1 1 22 22 ARG C C 22 178.803 178.803 178.096 0.707 19285 5190 1 14 . 1 1 22 22 ARG CA C 22 58.193 58.193 59.266 -1.073 19285 5191 1 14 . 1 1 22 22 ARG CB C 22 28.264 28.264 29.861 -1.597 19285 5192 1 14 . 1 1 22 22 ARG H H 22 8.564 8.564 8.352 0.212 19285 5193 1 14 . 1 1 23 23 GLU N N 23 122.771 122.771 118.105 4.666 19285 5194 1 14 . 1 1 23 23 GLU HA H 23 4.108 4.108 4.006 0.102 19285 5195 1 14 . 1 1 23 23 GLU C C 23 180.100 180.100 178.410 1.690 19285 5196 1 14 . 1 1 23 23 GLU CA C 23 59.392 59.392 59.512 -0.120 19285 5197 1 14 . 1 1 23 23 GLU CB C 23 28.950 28.950 28.907 0.044 19285 5198 1 14 . 1 1 23 23 GLU H H 23 8.309 8.309 8.687 -0.378 19285 5199 1 14 . 1 1 24 24 GLU N N 24 122.272 122.272 119.280 2.992 19285 5200 1 14 . 1 1 24 24 GLU HA H 24 4.179 4.179 4.169 0.010 19285 5201 1 14 . 1 1 24 24 GLU C C 24 179.466 179.466 178.670 0.796 19285 5202 1 14 . 1 1 24 24 GLU CA C 24 58.237 58.237 58.723 -0.486 19285 5203 1 14 . 1 1 24 24 GLU CB C 24 30.455 30.455 29.552 0.903 19285 5204 1 14 . 1 1 24 24 GLU H H 24 9.062 9.062 8.202 0.860 19285 5205 1 14 . 1 1 25 25 PHE N N 25 118.985 118.985 120.944 -1.959 19285 5206 1 14 . 1 1 25 25 PHE HA H 25 4.050 4.050 4.322 -0.272 19285 5207 1 14 . 1 1 25 25 PHE C C 25 176.876 176.876 177.148 -0.272 19285 5208 1 14 . 1 1 25 25 PHE CA C 25 60.766 60.766 60.719 0.047 19285 5209 1 14 . 1 1 25 25 PHE CB C 25 40.514 40.514 39.279 1.235 19285 5210 1 14 . 1 1 25 25 PHE H H 25 8.931 8.931 8.541 0.390 19285 5211 1 14 . 1 1 26 26 GLY N N 26 103.509 103.509 106.694 -3.185 19285 5212 1 14 . 1 1 26 26 GLY C C 26 175.475 175.475 175.706 -0.231 19285 5213 1 14 . 1 1 26 26 GLY CA C 26 47.163 47.163 47.546 -0.383 19285 5214 1 14 . 1 1 26 26 GLY H H 26 7.891 7.891 8.054 -0.163 19285 5215 1 14 . 1 1 27 27 ASP N N 27 119.470 119.470 121.604 -2.134 19285 5216 1 14 . 1 1 27 27 ASP HA H 27 4.545 4.545 4.565 -0.020 19285 5217 1 14 . 1 1 27 27 ASP C C 27 177.555 177.555 178.476 -0.921 19285 5218 1 14 . 1 1 27 27 ASP CA C 27 56.657 56.657 56.858 -0.201 19285 5219 1 14 . 1 1 27 27 ASP CB C 27 40.521 40.521 40.622 -0.101 19285 5220 1 14 . 1 1 27 27 ASP H H 27 7.492 7.492 7.569 -0.077 19285 5221 1 14 . 1 1 28 28 ILE N N 28 119.005 119.005 119.561 -0.556 19285 5222 1 14 . 1 1 28 28 ILE HA H 28 3.222 3.222 3.342 -0.120 19285 5223 1 14 . 1 1 28 28 ILE C C 28 178.112 178.112 177.785 0.327 19285 5224 1 14 . 1 1 28 28 ILE CA C 28 63.693 63.693 64.542 -0.849 19285 5225 1 14 . 1 1 28 28 ILE CB C 28 36.967 36.967 37.820 -0.853 19285 5226 1 14 . 1 1 28 28 ILE H H 28 7.290 7.290 7.004 0.286 19285 5227 1 14 . 1 1 29 29 ILE N N 29 118.036 118.036 115.024 3.012 19285 5228 1 14 . 1 1 29 29 ILE HA H 29 3.792 3.792 3.754 0.038 19285 5229 1 14 . 1 1 29 29 ILE C C 29 178.396 178.396 177.115 1.281 19285 5230 1 14 . 1 1 29 29 ILE CA C 29 61.114 61.114 63.666 -2.551 19285 5231 1 14 . 1 1 29 29 ILE CB C 29 36.103 36.103 37.181 -1.078 19285 5232 1 14 . 1 1 29 29 ILE H H 29 7.217 7.217 7.660 -0.443 19285 5233 1 14 . 1 1 30 30 ARG N N 30 120.280 120.280 121.377 -1.097 19285 5234 1 14 . 1 1 30 30 ARG HA H 30 4.165 4.165 4.039 0.126 19285 5235 1 14 . 1 1 30 30 ARG C C 30 178.243 178.243 178.340 -0.097 19285 5236 1 14 . 1 1 30 30 ARG CA C 30 58.528 58.528 59.684 -1.156 19285 5237 1 14 . 1 1 30 30 ARG CB C 30 29.873 29.873 30.341 -0.468 19285 5238 1 14 . 1 1 30 30 ARG H H 30 7.748 7.748 7.553 0.195 19285 5239 1 14 . 1 1 31 31 LEU N N 31 119.077 119.077 116.332 2.745 19285 5240 1 14 . 1 1 31 31 LEU HA H 31 4.211 4.211 4.513 -0.302 19285 5241 1 14 . 1 1 31 31 LEU C C 31 178.573 178.573 177.899 0.674 19285 5242 1 14 . 1 1 31 31 LEU CA C 31 56.866 56.866 55.643 1.223 19285 5243 1 14 . 1 1 31 31 LEU CB C 31 41.900 41.900 41.891 0.009 19285 5244 1 14 . 1 1 31 31 LEU H H 31 7.614 7.614 7.508 0.106 19285 5245 1 14 . 1 1 32 32 THR N N 32 108.038 108.038 114.515 -6.477 19285 5246 1 14 . 1 1 32 32 THR HA H 32 4.346 4.346 4.381 -0.035 19285 5247 1 14 . 1 1 32 32 THR C C 32 175.796 175.796 175.639 0.157 19285 5248 1 14 . 1 1 32 32 THR CA C 32 62.532 62.532 65.008 -2.476 19285 5249 1 14 . 1 1 32 32 THR CB C 32 70.251 70.251 69.616 0.635 19285 5250 1 14 . 1 1 32 32 THR H H 32 7.652 7.652 7.622 0.030 19285 5251 1 14 . 1 1 33 33 GLY N N 33 109.261 109.261 108.457 0.804 19285 5252 1 14 . 1 1 33 33 GLY C C 33 174.020 174.020 174.118 -0.098 19285 5253 1 14 . 1 1 33 33 GLY CA C 33 45.617 45.617 44.915 0.702 19285 5254 1 14 . 1 1 33 33 GLY H H 33 7.812 7.812 7.923 -0.111 19285 5255 1 14 . 1 1 34 34 GLU N N 34 120.265 120.265 120.794 -0.529 19285 5256 1 14 . 1 1 34 34 GLU HA H 34 4.264 4.264 4.496 -0.232 19285 5257 1 14 . 1 1 34 34 GLU C C 34 176.124 176.124 175.087 1.037 19285 5258 1 14 . 1 1 34 34 GLU CA C 34 56.198 56.198 54.729 1.469 19285 5259 1 14 . 1 1 34 34 GLU CB C 34 30.221 30.221 30.019 0.202 19285 5260 1 14 . 1 1 34 34 GLU H H 34 7.857 7.857 8.285 -0.428 19285 5261 1 14 . 1 1 35 35 GLN N N 35 122.159 122.159 125.461 -3.302 19285 5262 1 14 . 1 1 35 35 GLN HA H 35 4.319 4.319 4.293 0.026 19285 5263 1 14 . 1 1 35 35 GLN C C 35 174.957 174.957 175.257 -0.300 19285 5264 1 14 . 1 1 35 35 GLN CA C 35 55.489 55.489 55.634 -0.145 19285 5265 1 14 . 1 1 35 35 GLN CB C 35 27.772 27.772 28.000 -0.228 19285 5266 1 14 . 1 1 35 35 GLN H H 35 8.683 8.683 8.527 0.156 19285 5267 1 14 . 1 1 36 36 LEU N N 36 124.703 124.703 127.061 -2.358 19285 5268 1 14 . 1 1 36 36 LEU HA H 36 4.764 4.764 4.658 0.106 19285 5269 1 14 . 1 1 36 36 LEU C C 36 177.647 177.647 177.412 0.235 19285 5270 1 14 . 1 1 36 36 LEU CA C 36 53.868 53.868 53.404 0.465 19285 5271 1 14 . 1 1 36 36 LEU CB C 36 44.448 44.448 44.090 0.358 19285 5272 1 14 . 1 1 36 36 LEU H H 36 7.790 7.790 8.102 -0.312 19285 5273 1 14 . 1 1 37 37 THR N N 37 114.475 114.475 112.831 1.644 19285 5274 1 14 . 1 1 37 37 THR HA H 37 4.485 4.485 4.434 0.051 19285 5275 1 14 . 1 1 37 37 THR C C 37 175.339 175.339 175.321 0.018 19285 5276 1 14 . 1 1 37 37 THR CA C 37 60.591 60.591 60.657 -0.066 19285 5277 1 14 . 1 1 37 37 THR CB C 37 71.227 71.227 70.687 0.540 19285 5278 1 14 . 1 1 37 37 THR H H 37 9.146 9.146 8.459 0.687 19285 5279 1 14 . 1 1 38 38 ASP N N 38 120.839 120.839 119.979 0.860 19285 5280 1 14 . 1 1 38 38 ASP HA H 38 4.255 4.255 4.363 -0.108 19285 5281 1 14 . 1 1 38 38 ASP C C 38 177.870 177.870 178.502 -0.632 19285 5282 1 14 . 1 1 38 38 ASP CA C 38 57.889 57.889 57.413 0.476 19285 5283 1 14 . 1 1 38 38 ASP CB C 38 39.895 39.895 40.429 -0.534 19285 5284 1 14 . 1 1 38 38 ASP H H 38 8.857 8.857 8.841 0.016 19285 5285 1 14 . 1 1 39 39 GLU N N 39 118.596 118.596 119.151 -0.555 19285 5286 1 14 . 1 1 39 39 GLU HA H 39 4.120 4.120 4.217 -0.097 19285 5287 1 14 . 1 1 39 39 GLU C C 39 179.052 179.052 178.680 0.372 19285 5288 1 14 . 1 1 39 39 GLU CA C 39 59.662 59.662 58.772 0.890 19285 5289 1 14 . 1 1 39 39 GLU CB C 39 28.823 28.823 29.804 -0.981 19285 5290 1 14 . 1 1 39 39 GLU H H 39 8.389 8.389 7.826 0.563 19285 5291 1 14 . 1 1 40 40 ASP N N 40 121.412 121.412 120.822 0.590 19285 5292 1 14 . 1 1 40 40 ASP HA H 40 4.460 4.460 4.513 -0.053 19285 5293 1 14 . 1 1 40 40 ASP C C 40 179.307 179.307 178.911 0.396 19285 5294 1 14 . 1 1 40 40 ASP CA C 40 57.164 57.164 57.108 0.056 19285 5295 1 14 . 1 1 40 40 ASP CB C 40 41.229 41.229 40.649 0.580 19285 5296 1 14 . 1 1 40 40 ASP H H 40 7.768 7.768 7.819 -0.051 19285 5297 1 14 . 1 1 41 41 VAL N N 41 121.053 121.053 119.770 1.283 19285 5298 1 14 . 1 1 41 41 VAL HA H 41 3.605 3.605 3.745 -0.140 19285 5299 1 14 . 1 1 41 41 VAL C C 41 177.685 177.685 177.632 0.053 19285 5300 1 14 . 1 1 41 41 VAL CA C 41 67.286 67.286 66.983 0.303 19285 5301 1 14 . 1 1 41 41 VAL CB C 41 31.498 31.498 31.851 -0.353 19285 5302 1 14 . 1 1 41 41 VAL H H 41 8.215 8.215 8.465 -0.250 19285 5303 1 14 . 1 1 42 42 ASP N N 42 120.507 120.507 119.805 0.702 19285 5304 1 14 . 1 1 42 42 ASP HA H 42 4.213 4.213 4.409 -0.196 19285 5305 1 14 . 1 1 42 42 ASP C C 42 179.444 179.444 178.499 0.945 19285 5306 1 14 . 1 1 42 42 ASP CA C 42 57.744 57.744 57.714 0.030 19285 5307 1 14 . 1 1 42 42 ASP CB C 42 40.082 40.082 40.874 -0.792 19285 5308 1 14 . 1 1 42 42 ASP H H 42 8.527 8.527 7.756 0.771 19285 5309 1 14 . 1 1 43 43 GLU N N 43 121.091 121.091 119.794 1.297 19285 5310 1 14 . 1 1 43 43 GLU HA H 43 4.119 4.119 4.056 0.063 19285 5311 1 14 . 1 1 43 43 GLU C C 43 178.328 178.328 179.176 -0.848 19285 5312 1 14 . 1 1 43 43 GLU CA C 43 59.264 59.264 59.553 -0.289 19285 5313 1 14 . 1 1 43 43 GLU CB C 43 29.277 29.277 29.880 -0.603 19285 5314 1 14 . 1 1 43 43 GLU H H 43 7.758 7.758 7.891 -0.133 19285 5315 1 14 . 1 1 44 44 ILE N N 44 120.248 120.248 119.671 0.577 19285 5316 1 14 . 1 1 44 44 ILE HA H 44 3.957 3.957 3.948 0.009 19285 5317 1 14 . 1 1 44 44 ILE C C 44 179.412 179.412 178.283 1.129 19285 5318 1 14 . 1 1 44 44 ILE CA C 44 64.747 64.747 62.434 2.313 19285 5319 1 14 . 1 1 44 44 ILE CB C 44 38.919 38.919 36.977 1.942 19285 5320 1 14 . 1 1 44 44 ILE H H 44 7.934 7.934 8.273 -0.339 19285 5321 1 14 . 1 1 45 45 PHE N N 45 124.028 124.028 121.701 2.327 19285 5322 1 14 . 1 1 45 45 PHE HA H 45 3.126 3.126 3.444 -0.318 19285 5323 1 14 . 1 1 45 45 PHE C C 45 176.732 176.732 177.376 -0.644 19285 5324 1 14 . 1 1 45 45 PHE CA C 45 62.039 62.039 61.887 0.152 19285 5325 1 14 . 1 1 45 45 PHE CB C 45 38.562 38.562 38.680 -0.118 19285 5326 1 14 . 1 1 45 45 PHE H H 45 9.019 9.019 8.759 0.260 19285 5327 1 14 . 1 1 46 46 GLY N N 46 104.229 104.229 106.281 -2.052 19285 5328 1 14 . 1 1 46 46 GLY C C 46 176.365 176.365 175.394 0.971 19285 5329 1 14 . 1 1 46 46 GLY CA C 46 47.055 47.055 46.783 0.272 19285 5330 1 14 . 1 1 46 46 GLY H H 46 8.219 8.219 8.145 0.074 19285 5331 1 14 . 1 1 47 47 ASP N N 47 119.686 119.686 120.402 -0.716 19285 5332 1 14 . 1 1 47 47 ASP HA H 47 4.343 4.343 4.445 -0.102 19285 5333 1 14 . 1 1 47 47 ASP C C 47 178.101 178.101 177.489 0.612 19285 5334 1 14 . 1 1 47 47 ASP CA C 47 56.235 56.235 56.193 0.042 19285 5335 1 14 . 1 1 47 47 ASP CB C 47 40.558 40.558 40.894 -0.336 19285 5336 1 14 . 1 1 47 47 ASP H H 47 8.106 8.106 7.848 0.258 19285 5337 1 14 . 1 1 48 48 SER N N 48 113.923 113.923 112.770 1.153 19285 5338 1 14 . 1 1 48 48 SER HA H 48 4.281 4.281 4.221 0.060 19285 5339 1 14 . 1 1 48 48 SER C C 48 173.432 173.432 174.387 -0.955 19285 5340 1 14 . 1 1 48 48 SER CA C 48 59.878 59.878 60.386 -0.508 19285 5341 1 14 . 1 1 48 48 SER CB C 48 63.709 63.709 63.416 0.293 19285 5342 1 14 . 1 1 48 48 SER H H 48 7.567 7.567 7.686 -0.119 19285 5343 1 14 . 1 1 49 49 ASP N N 49 121.595 121.595 122.064 -0.469 19285 5344 1 14 . 1 1 49 49 ASP HA H 49 4.424 4.424 4.432 -0.008 19285 5345 1 14 . 1 1 49 49 ASP C C 49 177.055 177.055 177.154 -0.099 19285 5346 1 14 . 1 1 49 49 ASP CA C 49 51.836 51.836 53.155 -1.319 19285 5347 1 14 . 1 1 49 49 ASP CB C 49 38.427 38.427 39.200 -0.773 19285 5348 1 14 . 1 1 49 49 ASP H H 49 7.323 7.323 7.509 -0.186 19285 5349 1 14 . 1 1 50 50 THR N N 50 119.204 119.204 119.354 -0.150 19285 5350 1 14 . 1 1 50 50 THR HA H 50 3.863 3.863 4.035 -0.172 19285 5351 1 14 . 1 1 50 50 THR C C 50 176.041 176.041 175.453 0.588 19285 5352 1 14 . 1 1 50 50 THR CA C 50 65.351 65.351 65.275 0.076 19285 5353 1 14 . 1 1 50 50 THR CB C 50 68.597 68.597 68.986 -0.389 19285 5354 1 14 . 1 1 50 50 THR H H 50 7.841 7.841 8.179 -0.338 19285 5355 1 14 . 1 1 51 51 ASP N N 51 117.233 117.233 118.833 -1.600 19285 5356 1 14 . 1 1 51 51 ASP HA H 51 4.607 4.607 4.686 -0.079 19285 5357 1 14 . 1 1 51 51 ASP C C 51 175.994 175.994 174.868 1.126 19285 5358 1 14 . 1 1 51 51 ASP CA C 51 52.795 52.795 54.320 -1.525 19285 5359 1 14 . 1 1 51 51 ASP CB C 51 39.098 39.098 40.759 -1.661 19285 5360 1 14 . 1 1 51 51 ASP H H 51 7.972 7.972 8.250 -0.278 19285 5361 1 14 . 1 1 52 52 LYS N N 52 113.938 113.938 116.259 -2.321 19285 5362 1 14 . 1 1 52 52 LYS HA H 52 3.961 3.961 4.026 -0.065 19285 5363 1 14 . 1 1 52 52 LYS C C 52 176.126 176.126 175.853 0.273 19285 5364 1 14 . 1 1 52 52 LYS CA C 52 56.238 56.238 57.153 -0.915 19285 5365 1 14 . 1 1 52 52 LYS CB C 52 28.711 28.711 29.979 -1.268 19285 5366 1 14 . 1 1 52 52 LYS H H 52 7.729 7.729 7.654 0.075 19285 5367 1 14 . 1 1 53 53 ASN N N 53 117.127 117.127 117.075 0.052 19285 5368 1 14 . 1 1 53 53 ASN HA H 53 4.764 4.764 4.682 0.082 19285 5369 1 14 . 1 1 53 53 ASN C C 53 177.056 177.056 176.366 0.690 19285 5370 1 14 . 1 1 53 53 ASN CA C 53 51.626 51.626 53.107 -1.481 19285 5371 1 14 . 1 1 53 53 ASN CB C 53 37.742 37.742 39.262 -1.520 19285 5372 1 14 . 1 1 53 53 ASN H H 53 8.193 8.193 8.401 -0.208 19285 5373 1 14 . 1 1 54 54 GLY N N 54 113.327 113.327 108.385 4.942 19285 5374 1 14 . 1 1 54 54 GLY C C 54 172.983 172.983 173.668 -0.685 19285 5375 1 14 . 1 1 54 54 GLY CA C 54 45.671 45.671 45.191 0.480 19285 5376 1 14 . 1 1 54 54 GLY H H 54 10.782 10.782 8.970 1.812 19285 5377 1 14 . 1 1 55 55 ARG N N 55 115.634 115.634 119.749 -4.115 19285 5378 1 14 . 1 1 55 55 ARG HA H 55 4.826 4.826 4.784 0.042 19285 5379 1 14 . 1 1 55 55 ARG C C 55 173.745 173.745 174.474 -0.729 19285 5380 1 14 . 1 1 55 55 ARG CA C 55 54.044 54.044 54.013 0.031 19285 5381 1 14 . 1 1 55 55 ARG CB C 55 33.457 33.457 33.352 0.105 19285 5382 1 14 . 1 1 55 55 ARG H H 55 7.501 7.501 7.710 -0.209 19285 5383 1 14 . 1 1 56 56 ILE N N 56 127.446 127.446 122.614 4.832 19285 5384 1 14 . 1 1 56 56 ILE HA H 56 5.127 5.127 4.174 0.953 19285 5385 1 14 . 1 1 56 56 ILE C C 56 175.886 175.886 175.068 0.818 19285 5386 1 14 . 1 1 56 56 ILE CA C 56 58.892 58.892 60.936 -2.044 19285 5387 1 14 . 1 1 56 56 ILE CB C 56 36.907 36.907 38.893 -1.986 19285 5388 1 14 . 1 1 56 56 ILE H H 56 9.592 9.592 8.248 1.344 19285 5389 1 14 . 1 1 57 57 ASP N N 57 129.499 129.499 128.579 0.920 19285 5390 1 14 . 1 1 57 57 ASP HA H 57 5.185 5.185 4.941 0.244 19285 5391 1 14 . 1 1 57 57 ASP C C 57 175.630 175.630 176.866 -1.236 19285 5392 1 14 . 1 1 57 57 ASP CA C 57 52.329 52.329 53.059 -0.730 19285 5393 1 14 . 1 1 57 57 ASP CB C 57 42.175 42.175 41.628 0.547 19285 5394 1 14 . 1 1 57 57 ASP H H 57 9.267 9.267 8.538 0.729 19285 5395 1 14 . 1 1 58 58 PHE N N 58 118.391 118.391 120.070 -1.679 19285 5396 1 14 . 1 1 58 58 PHE HA H 58 3.761 3.761 4.083 -0.322 19285 5397 1 14 . 1 1 58 58 PHE C C 58 176.306 176.306 176.641 -0.335 19285 5398 1 14 . 1 1 58 58 PHE CA C 58 61.806 61.806 61.090 0.716 19285 5399 1 14 . 1 1 58 58 PHE CB C 58 38.539 38.539 39.055 -0.516 19285 5400 1 14 . 1 1 58 58 PHE H H 58 8.799 8.799 8.956 -0.157 19285 5401 1 14 . 1 1 59 59 ASP N N 59 118.077 118.077 119.364 -1.287 19285 5402 1 14 . 1 1 59 59 ASP HA H 59 4.167 4.167 4.182 -0.015 19285 5403 1 14 . 1 1 59 59 ASP C C 59 179.808 179.808 178.612 1.196 19285 5404 1 14 . 1 1 59 59 ASP CA C 59 57.781 57.781 57.543 0.238 19285 5405 1 14 . 1 1 59 59 ASP CB C 59 41.399 41.399 40.095 1.304 19285 5406 1 14 . 1 1 59 59 ASP H H 59 7.930 7.930 8.396 -0.466 19285 5407 1 14 . 1 1 60 60 GLU N N 60 117.047 117.047 119.011 -1.964 19285 5408 1 14 . 1 1 60 60 GLU HA H 60 3.967 3.967 4.162 -0.195 19285 5409 1 14 . 1 1 60 60 GLU C C 60 180.287 180.287 178.679 1.608 19285 5410 1 14 . 1 1 60 60 GLU CA C 60 58.326 58.326 57.879 0.447 19285 5411 1 14 . 1 1 60 60 GLU CB C 60 29.925 29.925 29.430 0.495 19285 5412 1 14 . 1 1 60 60 GLU H H 60 7.331 7.331 8.839 -1.508 19285 5413 1 14 . 1 1 61 61 PHE N N 61 124.075 124.075 122.574 1.501 19285 5414 1 14 . 1 1 61 61 PHE HA H 61 4.155 4.155 4.245 -0.090 19285 5415 1 14 . 1 1 61 61 PHE C C 61 176.012 176.012 177.219 -1.207 19285 5416 1 14 . 1 1 61 61 PHE CA C 61 61.100 61.100 61.732 -0.632 19285 5417 1 14 . 1 1 61 61 PHE CB C 61 39.493 39.493 39.374 0.119 19285 5418 1 14 . 1 1 61 61 PHE H H 61 9.079 9.079 8.296 0.783 19285 5419 1 14 . 1 1 62 62 LEU N N 62 119.964 119.964 117.632 2.332 19285 5420 1 14 . 1 1 62 62 LEU HA H 62 3.501 3.501 3.770 -0.269 19285 5421 1 14 . 1 1 62 62 LEU C C 62 179.855 179.855 178.465 1.390 19285 5422 1 14 . 1 1 62 62 LEU CA C 62 58.109 58.109 57.513 0.596 19285 5423 1 14 . 1 1 62 62 LEU CB C 62 40.495 40.495 41.365 -0.870 19285 5424 1 14 . 1 1 62 62 LEU H H 62 8.416 8.416 8.335 0.081 19285 5425 1 14 . 1 1 63 63 LYS N N 63 121.221 121.221 117.160 4.061 19285 5426 1 14 . 1 1 63 63 LYS HA H 63 4.060 4.060 4.185 -0.125 19285 5427 1 14 . 1 1 63 63 LYS C C 63 178.875 178.875 179.297 -0.422 19285 5428 1 14 . 1 1 63 63 LYS CA C 63 58.288 58.288 58.771 -0.483 19285 5429 1 14 . 1 1 63 63 LYS CB C 63 31.683 31.683 32.367 -0.684 19285 5430 1 14 . 1 1 63 63 LYS H H 63 8.804 8.804 7.359 1.445 19285 5431 1 14 . 1 1 64 64 MET N N 64 119.896 119.896 118.823 1.073 19285 5432 1 14 . 1 1 64 64 MET HA H 64 4.108 4.108 4.249 -0.141 19285 5433 1 14 . 1 1 64 64 MET C C 64 178.427 178.427 177.784 0.643 19285 5434 1 14 . 1 1 64 64 MET CA C 64 58.374 58.374 56.808 1.566 19285 5435 1 14 . 1 1 64 64 MET CB C 64 32.200 32.200 31.819 0.381 19285 5436 1 14 . 1 1 64 64 MET H H 64 7.895 7.895 7.955 -0.060 19285 5437 1 14 . 1 1 65 65 MET N N 65 116.299 116.299 115.931 0.368 19285 5438 1 14 . 1 1 65 65 MET HA H 65 4.337 4.337 4.227 0.110 19285 5439 1 14 . 1 1 65 65 MET C C 65 178.184 178.184 178.240 -0.056 19285 5440 1 14 . 1 1 65 65 MET CA C 65 55.118 55.118 55.005 0.113 19285 5441 1 14 . 1 1 65 65 MET CB C 65 30.790 30.790 30.351 0.439 19285 5442 1 14 . 1 1 65 65 MET H H 65 7.859 7.859 7.835 0.024 19285 5443 1 14 . 1 1 66 66 GLU N N 66 119.624 119.624 119.595 0.029 19285 5444 1 14 . 1 1 66 66 GLU HA H 66 4.091 4.091 4.071 0.020 19285 5445 1 14 . 1 1 66 66 GLU C C 66 177.017 177.017 177.356 -0.339 19285 5446 1 14 . 1 1 66 66 GLU CA C 66 58.092 58.092 58.678 -0.586 19285 5447 1 14 . 1 1 66 66 GLU CB C 66 29.619 29.619 29.413 0.205 19285 5448 1 14 . 1 1 66 66 GLU H H 66 7.568 7.568 7.473 0.095 19285 5449 1 14 . 1 1 67 67 ASN N N 67 116.153 116.153 115.654 0.499 19285 5450 1 14 . 1 1 67 67 ASN HA H 67 4.776 4.776 4.795 -0.019 19285 5451 1 14 . 1 1 67 67 ASN C C 67 175.231 175.231 174.407 0.824 19285 5452 1 14 . 1 1 67 67 ASN CA C 67 53.440 53.440 53.023 0.417 19285 5453 1 14 . 1 1 67 67 ASN CB C 67 39.284 39.284 39.913 -0.629 19285 5454 1 14 . 1 1 67 67 ASN H H 67 7.819 7.819 7.627 0.192 19285 5455 1 14 . 1 1 68 68 VAL N N 68 119.217 119.217 120.986 -1.769 19285 5456 1 14 . 1 1 68 68 VAL HA H 68 4.147 4.147 4.167 -0.020 19285 5457 1 14 . 1 1 68 68 VAL C C 68 175.101 175.101 175.564 -0.463 19285 5458 1 14 . 1 1 68 68 VAL CA C 68 62.576 62.576 62.413 0.163 19285 5459 1 14 . 1 1 68 68 VAL CB C 68 32.250 32.250 32.450 -0.200 19285 5460 1 14 . 1 1 68 68 VAL H H 68 7.641 7.641 7.439 0.202 19285 5461 1 15 . 1 1 2 2 GLU N N 2 122.304 122.304 122.841 -0.537 19285 5462 1 15 . 1 1 2 2 GLU HA H 2 4.059 4.059 4.116 -0.057 19285 5463 1 15 . 1 1 2 2 GLU C C 2 178.560 178.560 178.165 0.395 19285 5464 1 15 . 1 1 2 2 GLU CA C 2 59.898 59.898 59.493 0.405 19285 5465 1 15 . 1 1 2 2 GLU CB C 2 29.215 29.215 29.652 -0.437 19285 5466 1 15 . 1 1 2 2 GLU H H 2 8.881 8.881 8.776 0.105 19285 5467 1 15 . 1 1 3 3 GLU N N 3 120.033 120.033 117.312 2.721 19285 5468 1 15 . 1 1 3 3 GLU HA H 3 4.155 4.155 4.128 0.027 19285 5469 1 15 . 1 1 3 3 GLU C C 3 179.048 179.048 179.233 -0.185 19285 5470 1 15 . 1 1 3 3 GLU CA C 3 59.270 59.270 59.476 -0.206 19285 5471 1 15 . 1 1 3 3 GLU CB C 3 29.343 29.343 29.323 0.020 19285 5472 1 15 . 1 1 3 3 GLU H H 3 8.528 8.528 8.755 -0.227 19285 5473 1 15 . 1 1 4 4 GLU N N 4 120.958 120.958 119.913 1.045 19285 5474 1 15 . 1 1 4 4 GLU HA H 4 4.176 4.176 4.180 -0.004 19285 5475 1 15 . 1 1 4 4 GLU C C 4 179.840 179.840 179.138 0.702 19285 5476 1 15 . 1 1 4 4 GLU CA C 4 58.953 58.953 58.850 0.103 19285 5477 1 15 . 1 1 4 4 GLU CB C 4 29.586 29.586 29.753 -0.167 19285 5478 1 15 . 1 1 4 4 GLU H H 4 8.101 8.101 7.660 0.441 19285 5479 1 15 . 1 1 5 5 LEU N N 5 120.900 120.900 120.332 0.568 19285 5480 1 15 . 1 1 5 5 LEU HA H 5 4.395 4.395 4.321 0.074 19285 5481 1 15 . 1 1 5 5 LEU C C 5 179.432 179.432 179.292 0.140 19285 5482 1 15 . 1 1 5 5 LEU CA C 5 57.940 57.940 57.632 0.308 19285 5483 1 15 . 1 1 5 5 LEU CB C 5 41.647 41.647 41.835 -0.188 19285 5484 1 15 . 1 1 5 5 LEU H H 5 8.570 8.570 8.610 -0.040 19285 5485 1 15 . 1 1 6 6 SER N N 6 116.354 116.354 116.896 -0.542 19285 5486 1 15 . 1 1 6 6 SER HA H 6 4.261 4.261 4.343 -0.082 19285 5487 1 15 . 1 1 6 6 SER C C 6 176.745 176.745 176.802 -0.057 19285 5488 1 15 . 1 1 6 6 SER CA C 6 61.992 61.992 62.440 -0.447 19285 5489 1 15 . 1 1 6 6 SER CB C 6 62.341 62.341 62.898 -0.557 19285 5490 1 15 . 1 1 6 6 SER H H 6 8.604 8.604 8.697 -0.093 19285 5491 1 15 . 1 1 7 7 GLU N N 7 122.072 122.072 122.141 -0.069 19285 5492 1 15 . 1 1 7 7 GLU HA H 7 4.190 4.190 4.088 0.102 19285 5493 1 15 . 1 1 7 7 GLU C C 7 178.189 178.189 178.892 -0.703 19285 5494 1 15 . 1 1 7 7 GLU CA C 7 58.831 58.831 59.339 -0.508 19285 5495 1 15 . 1 1 7 7 GLU CB C 7 28.965 28.965 29.598 -0.633 19285 5496 1 15 . 1 1 7 7 GLU H H 7 7.720 7.720 7.614 0.106 19285 5497 1 15 . 1 1 8 8 CYS N N 8 117.904 117.904 118.557 -0.653 19285 5498 1 15 . 1 1 8 8 CYS HA H 8 4.053 4.053 3.690 0.363 19285 5499 1 15 . 1 1 8 8 CYS C C 8 175.681 175.681 176.524 -0.843 19285 5500 1 15 . 1 1 8 8 CYS CA C 8 62.437 62.437 63.569 -1.132 19285 5501 1 15 . 1 1 8 8 CYS CB C 8 26.416 26.416 27.541 -1.125 19285 5502 1 15 . 1 1 8 8 CYS H H 8 8.019 8.019 8.016 0.003 19285 5503 1 15 . 1 1 9 9 PHE N N 9 119.590 119.590 121.029 -1.439 19285 5504 1 15 . 1 1 9 9 PHE HA H 9 3.351 3.351 3.566 -0.215 19285 5505 1 15 . 1 1 9 9 PHE C C 9 175.681 175.681 176.679 -0.998 19285 5506 1 15 . 1 1 9 9 PHE CA C 9 62.181 62.181 61.847 0.334 19285 5507 1 15 . 1 1 9 9 PHE CB C 9 39.277 39.277 38.721 0.556 19285 5508 1 15 . 1 1 9 9 PHE H H 9 8.427 8.427 8.625 -0.198 19285 5509 1 15 . 1 1 10 10 ARG N N 10 114.910 114.910 117.946 -3.036 19285 5510 1 15 . 1 1 10 10 ARG HA H 10 3.953 3.953 3.777 0.176 19285 5511 1 15 . 1 1 10 10 ARG C C 10 178.486 178.486 178.428 0.058 19285 5512 1 15 . 1 1 10 10 ARG CA C 10 58.967 58.967 59.227 -0.260 19285 5513 1 15 . 1 1 10 10 ARG CB C 10 29.948 29.948 30.147 -0.199 19285 5514 1 15 . 1 1 10 10 ARG H H 10 7.558 7.558 7.671 -0.113 19285 5515 1 15 . 1 1 11 11 ILE N N 11 118.349 118.349 118.820 -0.471 19285 5516 1 15 . 1 1 11 11 ILE HA H 11 3.582 3.582 3.714 -0.132 19285 5517 1 15 . 1 1 11 11 ILE C C 11 178.112 178.112 177.268 0.844 19285 5518 1 15 . 1 1 11 11 ILE CA C 11 63.622 63.622 64.223 -0.601 19285 5519 1 15 . 1 1 11 11 ILE CB C 11 37.340 37.340 38.076 -0.736 19285 5520 1 15 . 1 1 11 11 ILE H H 11 7.592 7.592 7.509 0.083 19285 5521 1 15 . 1 1 12 12 PHE N N 12 116.960 116.960 115.147 1.813 19285 5522 1 15 . 1 1 12 12 PHE HA H 12 4.477 4.477 4.289 0.188 19285 5523 1 15 . 1 1 12 12 PHE C C 12 176.714 176.714 176.825 -0.111 19285 5524 1 15 . 1 1 12 12 PHE CA C 12 58.669 58.669 57.182 1.487 19285 5525 1 15 . 1 1 12 12 PHE CB C 12 39.165 39.165 38.801 0.364 19285 5526 1 15 . 1 1 12 12 PHE H H 12 7.554 7.554 7.598 -0.044 19285 5527 1 15 . 1 1 13 13 ASP N N 13 119.667 119.667 118.893 0.774 19285 5528 1 15 . 1 1 13 13 ASP HA H 13 4.474 4.474 4.699 -0.225 19285 5529 1 15 . 1 1 13 13 ASP C C 13 176.772 176.772 176.073 0.699 19285 5530 1 15 . 1 1 13 13 ASP CA C 13 52.106 52.106 52.433 -0.327 19285 5531 1 15 . 1 1 13 13 ASP CB C 13 37.794 37.794 38.960 -1.166 19285 5532 1 15 . 1 1 13 13 ASP H H 13 7.725 7.725 7.806 -0.081 19285 5533 1 15 . 1 1 14 14 LYS N N 14 125.111 125.111 122.073 3.038 19285 5534 1 15 . 1 1 14 14 LYS HA H 14 3.933 3.933 4.025 -0.092 19285 5535 1 15 . 1 1 14 14 LYS C C 14 178.180 178.180 177.914 0.266 19285 5536 1 15 . 1 1 14 14 LYS CA C 14 59.277 59.277 58.332 0.945 19285 5537 1 15 . 1 1 14 14 LYS CB C 14 32.988 32.988 32.543 0.445 19285 5538 1 15 . 1 1 14 14 LYS H H 14 7.577 7.577 7.777 -0.200 19285 5539 1 15 . 1 1 15 15 ASP N N 15 114.010 114.010 116.478 -2.468 19285 5540 1 15 . 1 1 15 15 ASP HA H 15 4.588 4.588 4.494 0.094 19285 5541 1 15 . 1 1 15 15 ASP C C 15 177.680 177.680 176.995 0.685 19285 5542 1 15 . 1 1 15 15 ASP CA C 15 52.565 52.565 54.863 -2.298 19285 5543 1 15 . 1 1 15 15 ASP CB C 15 39.322 39.322 41.086 -1.764 19285 5544 1 15 . 1 1 15 15 ASP H H 15 8.032 8.032 7.742 0.290 19285 5545 1 15 . 1 1 16 16 GLY N N 16 109.187 109.187 107.442 1.745 19285 5546 1 15 . 1 1 16 16 GLY C C 16 175.043 175.043 175.011 0.032 19285 5547 1 15 . 1 1 16 16 GLY CA C 16 47.001 47.001 45.512 1.489 19285 5548 1 15 . 1 1 16 16 GLY H H 16 7.713 7.713 7.754 -0.041 19285 5549 1 15 . 1 1 17 17 ASN N N 17 118.569 118.569 119.060 -0.491 19285 5550 1 15 . 1 1 17 17 ASN HA H 17 4.600 4.600 4.425 0.175 19285 5551 1 15 . 1 1 17 17 ASN C C 17 176.026 176.026 176.259 -0.233 19285 5552 1 15 . 1 1 17 17 ASN CA C 17 52.265 52.265 53.128 -0.863 19285 5553 1 15 . 1 1 17 17 ASN CB C 17 37.340 37.340 38.450 -1.110 19285 5554 1 15 . 1 1 17 17 ASN H H 17 8.118 8.118 8.424 -0.306 19285 5555 1 15 . 1 1 18 18 GLY N N 18 112.477 112.477 107.171 5.306 19285 5556 1 15 . 1 1 18 18 GLY C C 18 172.479 172.479 173.299 -0.820 19285 5557 1 15 . 1 1 18 18 GLY CA C 18 45.110 45.110 45.255 -0.145 19285 5558 1 15 . 1 1 18 18 GLY H H 18 10.596 10.596 8.623 1.973 19285 5559 1 15 . 1 1 19 19 PHE N N 19 113.792 113.792 112.410 1.382 19285 5560 1 15 . 1 1 19 19 PHE HA H 19 5.291 5.291 5.256 0.035 19285 5561 1 15 . 1 1 19 19 PHE C C 19 173.646 173.646 173.044 0.602 19285 5562 1 15 . 1 1 19 19 PHE CA C 19 55.516 55.516 56.754 -1.238 19285 5563 1 15 . 1 1 19 19 PHE CB C 19 43.196 43.196 40.317 2.879 19285 5564 1 15 . 1 1 19 19 PHE H H 19 7.500 7.500 7.885 -0.385 19285 5565 1 15 . 1 1 20 20 ILE N N 20 126.629 126.629 121.956 4.673 19285 5566 1 15 . 1 1 20 20 ILE HA H 20 5.051 5.051 4.794 0.257 19285 5567 1 15 . 1 1 20 20 ILE C C 20 175.764 175.764 176.124 -0.360 19285 5568 1 15 . 1 1 20 20 ILE CA C 20 58.933 58.933 59.785 -0.852 19285 5569 1 15 . 1 1 20 20 ILE CB C 20 37.846 37.846 37.231 0.615 19285 5570 1 15 . 1 1 20 20 ILE H H 20 9.988 9.988 9.207 0.781 19285 5571 1 15 . 1 1 21 21 ASP N N 21 129.797 129.797 128.376 1.421 19285 5572 1 15 . 1 1 21 21 ASP HA H 21 5.124 5.124 5.185 -0.061 19285 5573 1 15 . 1 1 21 21 ASP C C 21 175.686 175.686 177.323 -1.637 19285 5574 1 15 . 1 1 21 21 ASP CA C 21 52.214 52.214 53.356 -1.142 19285 5575 1 15 . 1 1 21 21 ASP CB C 21 41.907 41.907 43.712 -1.805 19285 5576 1 15 . 1 1 21 21 ASP H H 21 9.322 9.322 9.089 0.233 19285 5577 1 15 . 1 1 22 22 ARG N N 22 118.041 118.041 121.712 -3.671 19285 5578 1 15 . 1 1 22 22 ARG HA H 22 3.359 3.359 3.047 0.312 19285 5579 1 15 . 1 1 22 22 ARG C C 22 178.803 178.803 178.036 0.767 19285 5580 1 15 . 1 1 22 22 ARG CA C 22 58.193 58.193 60.236 -2.043 19285 5581 1 15 . 1 1 22 22 ARG CB C 22 28.264 28.264 29.826 -1.562 19285 5582 1 15 . 1 1 22 22 ARG H H 22 8.564 8.564 8.831 -0.267 19285 5583 1 15 . 1 1 23 23 GLU N N 23 122.771 122.771 118.446 4.325 19285 5584 1 15 . 1 1 23 23 GLU HA H 23 4.108 4.108 4.033 0.075 19285 5585 1 15 . 1 1 23 23 GLU C C 23 180.100 180.100 178.810 1.290 19285 5586 1 15 . 1 1 23 23 GLU CA C 23 59.392 59.392 59.648 -0.256 19285 5587 1 15 . 1 1 23 23 GLU CB C 23 28.950 28.950 29.103 -0.153 19285 5588 1 15 . 1 1 23 23 GLU H H 23 8.309 8.309 8.727 -0.418 19285 5589 1 15 . 1 1 24 24 GLU N N 24 122.272 122.272 119.863 2.409 19285 5590 1 15 . 1 1 24 24 GLU HA H 24 4.179 4.179 4.101 0.078 19285 5591 1 15 . 1 1 24 24 GLU C C 24 179.466 179.466 178.867 0.599 19285 5592 1 15 . 1 1 24 24 GLU CA C 24 58.237 58.237 59.148 -0.911 19285 5593 1 15 . 1 1 24 24 GLU CB C 24 30.455 30.455 29.378 1.077 19285 5594 1 15 . 1 1 24 24 GLU H H 24 9.062 9.062 8.576 0.486 19285 5595 1 15 . 1 1 25 25 PHE N N 25 118.985 118.985 121.055 -2.070 19285 5596 1 15 . 1 1 25 25 PHE HA H 25 4.050 4.050 4.278 -0.228 19285 5597 1 15 . 1 1 25 25 PHE C C 25 176.876 176.876 177.125 -0.249 19285 5598 1 15 . 1 1 25 25 PHE CA C 25 60.766 60.766 60.702 0.064 19285 5599 1 15 . 1 1 25 25 PHE CB C 25 40.514 40.514 39.114 1.399 19285 5600 1 15 . 1 1 25 25 PHE H H 25 8.931 8.931 8.489 0.442 19285 5601 1 15 . 1 1 26 26 GLY N N 26 103.509 103.509 107.410 -3.901 19285 5602 1 15 . 1 1 26 26 GLY C C 26 175.475 175.475 175.820 -0.345 19285 5603 1 15 . 1 1 26 26 GLY CA C 26 47.163 47.163 47.372 -0.209 19285 5604 1 15 . 1 1 26 26 GLY H H 26 7.891 7.891 8.246 -0.355 19285 5605 1 15 . 1 1 27 27 ASP N N 27 119.470 119.470 122.659 -3.189 19285 5606 1 15 . 1 1 27 27 ASP HA H 27 4.545 4.545 4.375 0.170 19285 5607 1 15 . 1 1 27 27 ASP C C 27 177.555 177.555 178.561 -1.006 19285 5608 1 15 . 1 1 27 27 ASP CA C 27 56.657 56.657 56.949 -0.292 19285 5609 1 15 . 1 1 27 27 ASP CB C 27 40.521 40.521 40.346 0.175 19285 5610 1 15 . 1 1 27 27 ASP H H 27 7.492 7.492 7.624 -0.132 19285 5611 1 15 . 1 1 28 28 ILE N N 28 119.005 119.005 120.271 -1.266 19285 5612 1 15 . 1 1 28 28 ILE HA H 28 3.222 3.222 3.162 0.060 19285 5613 1 15 . 1 1 28 28 ILE C C 28 178.112 178.112 177.741 0.371 19285 5614 1 15 . 1 1 28 28 ILE CA C 28 63.693 63.693 64.827 -1.134 19285 5615 1 15 . 1 1 28 28 ILE CB C 28 36.967 36.967 37.513 -0.546 19285 5616 1 15 . 1 1 28 28 ILE H H 28 7.290 7.290 7.556 -0.266 19285 5617 1 15 . 1 1 29 29 ILE N N 29 118.036 118.036 119.424 -1.388 19285 5618 1 15 . 1 1 29 29 ILE HA H 29 3.792 3.792 3.710 0.082 19285 5619 1 15 . 1 1 29 29 ILE C C 29 178.396 178.396 178.410 -0.014 19285 5620 1 15 . 1 1 29 29 ILE CA C 29 61.114 61.114 63.375 -2.261 19285 5621 1 15 . 1 1 29 29 ILE CB C 29 36.103 36.103 37.383 -1.280 19285 5622 1 15 . 1 1 29 29 ILE H H 29 7.217 7.217 7.817 -0.600 19285 5623 1 15 . 1 1 30 30 ARG N N 30 120.280 120.280 120.380 -0.100 19285 5624 1 15 . 1 1 30 30 ARG HA H 30 4.165 4.165 4.001 0.164 19285 5625 1 15 . 1 1 30 30 ARG C C 30 178.243 178.243 177.646 0.597 19285 5626 1 15 . 1 1 30 30 ARG CA C 30 58.528 58.528 59.011 -0.483 19285 5627 1 15 . 1 1 30 30 ARG CB C 30 29.873 29.873 30.103 -0.230 19285 5628 1 15 . 1 1 30 30 ARG H H 30 7.748 7.748 7.730 0.018 19285 5629 1 15 . 1 1 31 31 LEU N N 31 119.077 119.077 115.668 3.409 19285 5630 1 15 . 1 1 31 31 LEU HA H 31 4.211 4.211 4.272 -0.061 19285 5631 1 15 . 1 1 31 31 LEU C C 31 178.573 178.573 178.299 0.274 19285 5632 1 15 . 1 1 31 31 LEU CA C 31 56.866 56.866 56.718 0.148 19285 5633 1 15 . 1 1 31 31 LEU CB C 31 41.900 41.900 42.739 -0.839 19285 5634 1 15 . 1 1 31 31 LEU H H 31 7.614 7.614 7.498 0.116 19285 5635 1 15 . 1 1 32 32 THR N N 32 108.038 108.038 105.889 2.149 19285 5636 1 15 . 1 1 32 32 THR HA H 32 4.346 4.346 4.513 -0.167 19285 5637 1 15 . 1 1 32 32 THR C C 32 175.796 175.796 175.867 -0.071 19285 5638 1 15 . 1 1 32 32 THR CA C 32 62.532 62.532 62.121 0.411 19285 5639 1 15 . 1 1 32 32 THR CB C 32 70.251 70.251 71.010 -0.759 19285 5640 1 15 . 1 1 32 32 THR H H 32 7.652 7.652 8.101 -0.449 19285 5641 1 15 . 1 1 33 33 GLY N N 33 109.261 109.261 110.849 -1.588 19285 5642 1 15 . 1 1 33 33 GLY C C 33 174.020 174.020 174.631 -0.611 19285 5643 1 15 . 1 1 33 33 GLY CA C 33 45.617 45.617 44.306 1.311 19285 5644 1 15 . 1 1 33 33 GLY H H 33 7.812 7.812 7.849 -0.037 19285 5645 1 15 . 1 1 34 34 GLU N N 34 120.265 120.265 121.826 -1.561 19285 5646 1 15 . 1 1 34 34 GLU HA H 34 4.264 4.264 4.071 0.193 19285 5647 1 15 . 1 1 34 34 GLU C C 34 176.124 176.124 177.338 -1.214 19285 5648 1 15 . 1 1 34 34 GLU CA C 34 56.198 56.198 58.808 -2.610 19285 5649 1 15 . 1 1 34 34 GLU CB C 34 30.221 30.221 29.621 0.600 19285 5650 1 15 . 1 1 34 34 GLU H H 34 7.857 7.857 7.725 0.132 19285 5651 1 15 . 1 1 35 35 GLN N N 35 122.159 122.159 115.195 6.964 19285 5652 1 15 . 1 1 35 35 GLN HA H 35 4.319 4.319 4.335 -0.016 19285 5653 1 15 . 1 1 35 35 GLN C C 35 174.957 174.957 175.862 -0.905 19285 5654 1 15 . 1 1 35 35 GLN CA C 35 55.489 55.489 55.253 0.236 19285 5655 1 15 . 1 1 35 35 GLN CB C 35 27.772 27.772 29.203 -1.431 19285 5656 1 15 . 1 1 35 35 GLN H H 35 8.683 8.683 8.402 0.281 19285 5657 1 15 . 1 1 36 36 LEU N N 36 124.703 124.703 120.710 3.993 19285 5658 1 15 . 1 1 36 36 LEU HA H 36 4.764 4.764 4.618 0.146 19285 5659 1 15 . 1 1 36 36 LEU C C 36 177.647 177.647 177.036 0.611 19285 5660 1 15 . 1 1 36 36 LEU CA C 36 53.868 53.868 53.918 -0.050 19285 5661 1 15 . 1 1 36 36 LEU CB C 36 44.448 44.448 43.651 0.797 19285 5662 1 15 . 1 1 36 36 LEU H H 36 7.790 7.790 7.388 0.402 19285 5663 1 15 . 1 1 37 37 THR N N 37 114.475 114.475 112.635 1.840 19285 5664 1 15 . 1 1 37 37 THR HA H 37 4.485 4.485 4.506 -0.021 19285 5665 1 15 . 1 1 37 37 THR C C 37 175.339 175.339 175.206 0.133 19285 5666 1 15 . 1 1 37 37 THR CA C 37 60.591 60.591 60.221 0.370 19285 5667 1 15 . 1 1 37 37 THR CB C 37 71.227 71.227 70.607 0.620 19285 5668 1 15 . 1 1 37 37 THR H H 37 9.146 9.146 9.002 0.144 19285 5669 1 15 . 1 1 38 38 ASP N N 38 120.839 120.839 120.299 0.540 19285 5670 1 15 . 1 1 38 38 ASP HA H 38 4.255 4.255 4.459 -0.204 19285 5671 1 15 . 1 1 38 38 ASP C C 38 177.870 177.870 178.355 -0.485 19285 5672 1 15 . 1 1 38 38 ASP CA C 38 57.889 57.889 56.915 0.974 19285 5673 1 15 . 1 1 38 38 ASP CB C 38 39.895 39.895 40.421 -0.526 19285 5674 1 15 . 1 1 38 38 ASP H H 38 8.857 8.857 8.781 0.076 19285 5675 1 15 . 1 1 39 39 GLU N N 39 118.596 118.596 119.474 -0.878 19285 5676 1 15 . 1 1 39 39 GLU HA H 39 4.120 4.120 4.122 -0.002 19285 5677 1 15 . 1 1 39 39 GLU C C 39 179.052 179.052 178.105 0.947 19285 5678 1 15 . 1 1 39 39 GLU CA C 39 59.662 59.662 58.879 0.783 19285 5679 1 15 . 1 1 39 39 GLU CB C 39 28.823 28.823 29.635 -0.812 19285 5680 1 15 . 1 1 39 39 GLU H H 39 8.389 8.389 7.944 0.445 19285 5681 1 15 . 1 1 40 40 ASP N N 40 121.412 121.412 120.176 1.236 19285 5682 1 15 . 1 1 40 40 ASP HA H 40 4.460 4.460 4.507 -0.047 19285 5683 1 15 . 1 1 40 40 ASP C C 40 179.307 179.307 178.816 0.491 19285 5684 1 15 . 1 1 40 40 ASP CA C 40 57.164 57.164 57.078 0.086 19285 5685 1 15 . 1 1 40 40 ASP CB C 40 41.229 41.229 40.379 0.850 19285 5686 1 15 . 1 1 40 40 ASP H H 40 7.768 7.768 7.998 -0.230 19285 5687 1 15 . 1 1 41 41 VAL N N 41 121.053 121.053 119.998 1.055 19285 5688 1 15 . 1 1 41 41 VAL HA H 41 3.605 3.605 3.825 -0.220 19285 5689 1 15 . 1 1 41 41 VAL C C 41 177.685 177.685 177.730 -0.045 19285 5690 1 15 . 1 1 41 41 VAL CA C 41 67.286 67.286 67.201 0.085 19285 5691 1 15 . 1 1 41 41 VAL CB C 41 31.498 31.498 31.729 -0.231 19285 5692 1 15 . 1 1 41 41 VAL H H 41 8.215 8.215 7.315 0.900 19285 5693 1 15 . 1 1 42 42 ASP N N 42 120.507 120.507 119.184 1.323 19285 5694 1 15 . 1 1 42 42 ASP HA H 42 4.213 4.213 4.570 -0.357 19285 5695 1 15 . 1 1 42 42 ASP C C 42 179.444 179.444 179.081 0.363 19285 5696 1 15 . 1 1 42 42 ASP CA C 42 57.744 57.744 57.430 0.314 19285 5697 1 15 . 1 1 42 42 ASP CB C 42 40.082 40.082 40.229 -0.147 19285 5698 1 15 . 1 1 42 42 ASP H H 42 8.527 8.527 8.028 0.499 19285 5699 1 15 . 1 1 43 43 GLU N N 43 121.091 121.091 120.741 0.350 19285 5700 1 15 . 1 1 43 43 GLU HA H 43 4.119 4.119 4.107 0.012 19285 5701 1 15 . 1 1 43 43 GLU C C 43 178.328 178.328 179.279 -0.951 19285 5702 1 15 . 1 1 43 43 GLU CA C 43 59.264 59.264 59.667 -0.404 19285 5703 1 15 . 1 1 43 43 GLU CB C 43 29.277 29.277 29.909 -0.632 19285 5704 1 15 . 1 1 43 43 GLU H H 43 7.758 7.758 7.950 -0.192 19285 5705 1 15 . 1 1 44 44 ILE N N 44 120.248 120.248 120.207 0.041 19285 5706 1 15 . 1 1 44 44 ILE HA H 44 3.957 3.957 3.819 0.138 19285 5707 1 15 . 1 1 44 44 ILE C C 44 179.412 179.412 177.886 1.526 19285 5708 1 15 . 1 1 44 44 ILE CA C 44 64.747 64.747 64.992 -0.245 19285 5709 1 15 . 1 1 44 44 ILE CB C 44 38.919 38.919 38.230 0.689 19285 5710 1 15 . 1 1 44 44 ILE H H 44 7.934 7.934 8.380 -0.446 19285 5711 1 15 . 1 1 45 45 PHE N N 45 124.028 124.028 120.729 3.299 19285 5712 1 15 . 1 1 45 45 PHE HA H 45 3.126 3.126 3.431 -0.305 19285 5713 1 15 . 1 1 45 45 PHE C C 45 176.732 176.732 177.369 -0.637 19285 5714 1 15 . 1 1 45 45 PHE CA C 45 62.039 62.039 61.749 0.290 19285 5715 1 15 . 1 1 45 45 PHE CB C 45 38.562 38.562 38.592 -0.030 19285 5716 1 15 . 1 1 45 45 PHE H H 45 9.019 9.019 8.371 0.648 19285 5717 1 15 . 1 1 46 46 GLY N N 46 104.229 104.229 106.180 -1.951 19285 5718 1 15 . 1 1 46 46 GLY C C 46 176.365 176.365 175.290 1.075 19285 5719 1 15 . 1 1 46 46 GLY CA C 46 47.055 47.055 46.862 0.193 19285 5720 1 15 . 1 1 46 46 GLY H H 46 8.219 8.219 8.190 0.029 19285 5721 1 15 . 1 1 47 47 ASP N N 47 119.686 119.686 120.239 -0.553 19285 5722 1 15 . 1 1 47 47 ASP HA H 47 4.343 4.343 4.468 -0.125 19285 5723 1 15 . 1 1 47 47 ASP C C 47 178.101 178.101 178.125 -0.024 19285 5724 1 15 . 1 1 47 47 ASP CA C 47 56.235 56.235 55.943 0.292 19285 5725 1 15 . 1 1 47 47 ASP CB C 47 40.558 40.558 40.708 -0.150 19285 5726 1 15 . 1 1 47 47 ASP H H 47 8.106 8.106 7.721 0.385 19285 5727 1 15 . 1 1 48 48 SER N N 48 113.923 113.923 114.260 -0.337 19285 5728 1 15 . 1 1 48 48 SER HA H 48 4.281 4.281 4.255 0.026 19285 5729 1 15 . 1 1 48 48 SER C C 48 173.432 173.432 174.201 -0.769 19285 5730 1 15 . 1 1 48 48 SER CA C 48 59.878 59.878 60.972 -1.094 19285 5731 1 15 . 1 1 48 48 SER CB C 48 63.709 63.709 63.521 0.188 19285 5732 1 15 . 1 1 48 48 SER H H 48 7.567 7.567 7.961 -0.394 19285 5733 1 15 . 1 1 49 49 ASP N N 49 121.595 121.595 122.246 -0.651 19285 5734 1 15 . 1 1 49 49 ASP HA H 49 4.424 4.424 4.537 -0.113 19285 5735 1 15 . 1 1 49 49 ASP C C 49 177.055 177.055 177.121 -0.066 19285 5736 1 15 . 1 1 49 49 ASP CA C 49 51.836 51.836 52.756 -0.920 19285 5737 1 15 . 1 1 49 49 ASP CB C 49 38.427 38.427 39.069 -0.642 19285 5738 1 15 . 1 1 49 49 ASP H H 49 7.323 7.323 7.657 -0.334 19285 5739 1 15 . 1 1 50 50 THR N N 50 119.204 119.204 115.558 3.646 19285 5740 1 15 . 1 1 50 50 THR HA H 50 3.863 3.863 4.212 -0.349 19285 5741 1 15 . 1 1 50 50 THR C C 50 176.041 176.041 175.577 0.464 19285 5742 1 15 . 1 1 50 50 THR CA C 50 65.351 65.351 64.147 1.204 19285 5743 1 15 . 1 1 50 50 THR CB C 50 68.597 68.597 69.072 -0.475 19285 5744 1 15 . 1 1 50 50 THR H H 50 7.841 7.841 8.033 -0.192 19285 5745 1 15 . 1 1 51 51 ASP N N 51 117.233 117.233 120.810 -3.577 19285 5746 1 15 . 1 1 51 51 ASP HA H 51 4.607 4.607 4.706 -0.099 19285 5747 1 15 . 1 1 51 51 ASP C C 51 175.994 175.994 174.859 1.135 19285 5748 1 15 . 1 1 51 51 ASP CA C 51 52.795 52.795 54.218 -1.423 19285 5749 1 15 . 1 1 51 51 ASP CB C 51 39.098 39.098 40.750 -1.652 19285 5750 1 15 . 1 1 51 51 ASP H H 51 7.972 7.972 8.014 -0.042 19285 5751 1 15 . 1 1 52 52 LYS N N 52 113.938 113.938 116.183 -2.245 19285 5752 1 15 . 1 1 52 52 LYS HA H 52 3.961 3.961 3.913 0.048 19285 5753 1 15 . 1 1 52 52 LYS C C 52 176.126 176.126 175.775 0.351 19285 5754 1 15 . 1 1 52 52 LYS CA C 52 56.238 56.238 57.186 -0.948 19285 5755 1 15 . 1 1 52 52 LYS CB C 52 28.711 28.711 29.589 -0.878 19285 5756 1 15 . 1 1 52 52 LYS H H 52 7.729 7.729 7.652 0.077 19285 5757 1 15 . 1 1 53 53 ASN N N 53 117.127 117.127 116.482 0.645 19285 5758 1 15 . 1 1 53 53 ASN HA H 53 4.764 4.764 4.719 0.045 19285 5759 1 15 . 1 1 53 53 ASN C C 53 177.056 177.056 175.914 1.142 19285 5760 1 15 . 1 1 53 53 ASN CA C 53 51.626 51.626 52.668 -1.042 19285 5761 1 15 . 1 1 53 53 ASN CB C 53 37.742 37.742 39.143 -1.401 19285 5762 1 15 . 1 1 53 53 ASN H H 53 8.193 8.193 8.510 -0.317 19285 5763 1 15 . 1 1 54 54 GLY N N 54 113.327 113.327 109.127 4.200 19285 5764 1 15 . 1 1 54 54 GLY C C 54 172.983 172.983 172.910 0.073 19285 5765 1 15 . 1 1 54 54 GLY CA C 54 45.671 45.671 45.630 0.041 19285 5766 1 15 . 1 1 54 54 GLY H H 54 10.782 10.782 8.821 1.961 19285 5767 1 15 . 1 1 55 55 ARG N N 55 115.634 115.634 115.551 0.083 19285 5768 1 15 . 1 1 55 55 ARG HA H 55 4.826 4.826 4.924 -0.098 19285 5769 1 15 . 1 1 55 55 ARG C C 55 173.745 173.745 173.991 -0.246 19285 5770 1 15 . 1 1 55 55 ARG CA C 55 54.044 54.044 54.925 -0.881 19285 5771 1 15 . 1 1 55 55 ARG CB C 55 33.457 33.457 32.586 0.872 19285 5772 1 15 . 1 1 55 55 ARG H H 55 7.501 7.501 8.171 -0.670 19285 5773 1 15 . 1 1 56 56 ILE N N 56 127.446 127.446 122.095 5.351 19285 5774 1 15 . 1 1 56 56 ILE HA H 56 5.127 5.127 4.287 0.840 19285 5775 1 15 . 1 1 56 56 ILE C C 56 175.886 175.886 174.664 1.222 19285 5776 1 15 . 1 1 56 56 ILE CA C 56 58.892 58.892 60.238 -1.346 19285 5777 1 15 . 1 1 56 56 ILE CB C 56 36.907 36.907 39.844 -2.937 19285 5778 1 15 . 1 1 56 56 ILE H H 56 9.592 9.592 8.848 0.744 19285 5779 1 15 . 1 1 57 57 ASP N N 57 129.499 129.499 128.267 1.232 19285 5780 1 15 . 1 1 57 57 ASP HA H 57 5.185 5.185 4.901 0.284 19285 5781 1 15 . 1 1 57 57 ASP C C 57 175.630 175.630 176.996 -1.366 19285 5782 1 15 . 1 1 57 57 ASP CA C 57 52.329 52.329 53.502 -1.173 19285 5783 1 15 . 1 1 57 57 ASP CB C 57 42.175 42.175 42.718 -0.543 19285 5784 1 15 . 1 1 57 57 ASP H H 57 9.267 9.267 8.648 0.619 19285 5785 1 15 . 1 1 58 58 PHE N N 58 118.391 118.391 122.246 -3.855 19285 5786 1 15 . 1 1 58 58 PHE HA H 58 3.761 3.761 3.842 -0.081 19285 5787 1 15 . 1 1 58 58 PHE C C 58 176.306 176.306 176.613 -0.307 19285 5788 1 15 . 1 1 58 58 PHE CA C 58 61.806 61.806 62.133 -0.327 19285 5789 1 15 . 1 1 58 58 PHE CB C 58 38.539 38.539 38.986 -0.447 19285 5790 1 15 . 1 1 58 58 PHE H H 58 8.799 8.799 9.108 -0.309 19285 5791 1 15 . 1 1 59 59 ASP N N 59 118.077 118.077 118.650 -0.573 19285 5792 1 15 . 1 1 59 59 ASP HA H 59 4.167 4.167 4.240 -0.073 19285 5793 1 15 . 1 1 59 59 ASP C C 59 179.808 179.808 178.474 1.334 19285 5794 1 15 . 1 1 59 59 ASP CA C 59 57.781 57.781 57.549 0.232 19285 5795 1 15 . 1 1 59 59 ASP CB C 59 41.399 41.399 39.590 1.809 19285 5796 1 15 . 1 1 59 59 ASP H H 59 7.930 7.930 8.816 -0.886 19285 5797 1 15 . 1 1 60 60 GLU N N 60 117.047 117.047 119.033 -1.986 19285 5798 1 15 . 1 1 60 60 GLU HA H 60 3.967 3.967 4.202 -0.235 19285 5799 1 15 . 1 1 60 60 GLU C C 60 180.287 180.287 178.373 1.914 19285 5800 1 15 . 1 1 60 60 GLU CA C 60 58.326 58.326 57.663 0.663 19285 5801 1 15 . 1 1 60 60 GLU CB C 60 29.925 29.925 29.165 0.760 19285 5802 1 15 . 1 1 60 60 GLU H H 60 7.331 7.331 8.084 -0.753 19285 5803 1 15 . 1 1 61 61 PHE N N 61 124.075 124.075 122.932 1.143 19285 5804 1 15 . 1 1 61 61 PHE HA H 61 4.155 4.155 4.303 -0.148 19285 5805 1 15 . 1 1 61 61 PHE C C 61 176.012 176.012 176.785 -0.773 19285 5806 1 15 . 1 1 61 61 PHE CA C 61 61.100 61.100 61.895 -0.795 19285 5807 1 15 . 1 1 61 61 PHE CB C 61 39.493 39.493 39.284 0.209 19285 5808 1 15 . 1 1 61 61 PHE H H 61 9.079 9.079 8.400 0.679 19285 5809 1 15 . 1 1 62 62 LEU N N 62 119.964 119.964 117.416 2.548 19285 5810 1 15 . 1 1 62 62 LEU HA H 62 3.501 3.501 3.690 -0.189 19285 5811 1 15 . 1 1 62 62 LEU C C 62 179.855 179.855 178.669 1.186 19285 5812 1 15 . 1 1 62 62 LEU CA C 62 58.109 58.109 57.669 0.440 19285 5813 1 15 . 1 1 62 62 LEU CB C 62 40.495 40.495 41.063 -0.568 19285 5814 1 15 . 1 1 62 62 LEU H H 62 8.416 8.416 8.052 0.364 19285 5815 1 15 . 1 1 63 63 LYS N N 63 121.221 121.221 118.120 3.101 19285 5816 1 15 . 1 1 63 63 LYS HA H 63 4.060 4.060 4.079 -0.019 19285 5817 1 15 . 1 1 63 63 LYS C C 63 178.875 178.875 178.858 0.017 19285 5818 1 15 . 1 1 63 63 LYS CA C 63 58.288 58.288 58.818 -0.530 19285 5819 1 15 . 1 1 63 63 LYS CB C 63 31.683 31.683 32.435 -0.753 19285 5820 1 15 . 1 1 63 63 LYS H H 63 8.804 8.804 7.373 1.431 19285 5821 1 15 . 1 1 64 64 MET N N 64 119.896 119.896 121.599 -1.703 19285 5822 1 15 . 1 1 64 64 MET HA H 64 4.108 4.108 4.166 -0.058 19285 5823 1 15 . 1 1 64 64 MET C C 64 178.427 178.427 177.813 0.614 19285 5824 1 15 . 1 1 64 64 MET CA C 64 58.374 58.374 58.159 0.215 19285 5825 1 15 . 1 1 64 64 MET CB C 64 32.200 32.200 32.534 -0.334 19285 5826 1 15 . 1 1 64 64 MET H H 64 7.895 7.895 8.172 -0.277 19285 5827 1 15 . 1 1 65 65 MET N N 65 116.299 116.299 116.345 -0.046 19285 5828 1 15 . 1 1 65 65 MET HA H 65 4.337 4.337 4.473 -0.136 19285 5829 1 15 . 1 1 65 65 MET C C 65 178.184 178.184 178.580 -0.396 19285 5830 1 15 . 1 1 65 65 MET CA C 65 55.118 55.118 56.765 -1.647 19285 5831 1 15 . 1 1 65 65 MET CB C 65 30.790 30.790 31.012 -0.222 19285 5832 1 15 . 1 1 65 65 MET H H 65 7.859 7.859 8.163 -0.304 19285 5833 1 15 . 1 1 66 66 GLU N N 66 119.624 119.624 119.574 0.050 19285 5834 1 15 . 1 1 66 66 GLU HA H 66 4.091 4.091 4.015 0.076 19285 5835 1 15 . 1 1 66 66 GLU C C 66 177.017 177.017 178.616 -1.599 19285 5836 1 15 . 1 1 66 66 GLU CA C 66 58.092 58.092 58.844 -0.752 19285 5837 1 15 . 1 1 66 66 GLU CB C 66 29.619 29.619 29.704 -0.085 19285 5838 1 15 . 1 1 66 66 GLU H H 66 7.568 7.568 7.521 0.047 19285 5839 1 15 . 1 1 67 67 ASN N N 67 116.153 116.153 115.413 0.740 19285 5840 1 15 . 1 1 67 67 ASN HA H 67 4.776 4.776 4.699 0.077 19285 5841 1 15 . 1 1 67 67 ASN C C 67 175.231 175.231 175.532 -0.301 19285 5842 1 15 . 1 1 67 67 ASN CA C 67 53.440 53.440 54.747 -1.307 19285 5843 1 15 . 1 1 67 67 ASN CB C 67 39.284 39.284 39.735 -0.451 19285 5844 1 15 . 1 1 67 67 ASN H H 67 7.819 7.819 7.887 -0.068 19285 5845 1 15 . 1 1 68 68 VAL N N 68 119.217 119.217 119.816 -0.599 19285 5846 1 15 . 1 1 68 68 VAL HA H 68 4.147 4.147 4.248 -0.101 19285 5847 1 15 . 1 1 68 68 VAL C C 68 175.101 175.101 174.267 0.834 19285 5848 1 15 . 1 1 68 68 VAL CA C 68 62.576 62.576 60.756 1.820 19285 5849 1 15 . 1 1 68 68 VAL CB C 68 32.250 32.250 33.616 -1.366 19285 5850 1 15 . 1 1 68 68 VAL H H 68 7.641 7.641 8.178 -0.537 19285 5851 1 16 . 1 1 2 2 GLU N N 2 122.304 122.304 122.209 0.095 19285 5852 1 16 . 1 1 2 2 GLU HA H 2 4.059 4.059 4.064 -0.005 19285 5853 1 16 . 1 1 2 2 GLU C C 2 178.560 178.560 178.464 0.096 19285 5854 1 16 . 1 1 2 2 GLU CA C 2 59.898 59.898 59.540 0.358 19285 5855 1 16 . 1 1 2 2 GLU CB C 2 29.215 29.215 29.467 -0.252 19285 5856 1 16 . 1 1 2 2 GLU H H 2 8.881 8.881 8.930 -0.049 19285 5857 1 16 . 1 1 3 3 GLU N N 3 120.033 120.033 119.817 0.216 19285 5858 1 16 . 1 1 3 3 GLU HA H 3 4.155 4.155 4.194 -0.039 19285 5859 1 16 . 1 1 3 3 GLU C C 3 179.048 179.048 179.006 0.042 19285 5860 1 16 . 1 1 3 3 GLU CA C 3 59.270 59.270 59.507 -0.237 19285 5861 1 16 . 1 1 3 3 GLU CB C 3 29.343 29.343 29.268 0.075 19285 5862 1 16 . 1 1 3 3 GLU H H 3 8.528 8.528 8.773 -0.245 19285 5863 1 16 . 1 1 4 4 GLU N N 4 120.958 120.958 119.646 1.312 19285 5864 1 16 . 1 1 4 4 GLU HA H 4 4.176 4.176 4.152 0.024 19285 5865 1 16 . 1 1 4 4 GLU C C 4 179.840 179.840 179.083 0.757 19285 5866 1 16 . 1 1 4 4 GLU CA C 4 58.953 58.953 59.266 -0.313 19285 5867 1 16 . 1 1 4 4 GLU CB C 4 29.586 29.586 29.538 0.048 19285 5868 1 16 . 1 1 4 4 GLU H H 4 8.101 8.101 8.467 -0.366 19285 5869 1 16 . 1 1 5 5 LEU N N 5 120.900 120.900 120.069 0.831 19285 5870 1 16 . 1 1 5 5 LEU HA H 5 4.395 4.395 4.325 0.070 19285 5871 1 16 . 1 1 5 5 LEU C C 5 179.432 179.432 179.115 0.317 19285 5872 1 16 . 1 1 5 5 LEU CA C 5 57.940 57.940 57.681 0.259 19285 5873 1 16 . 1 1 5 5 LEU CB C 5 41.647 41.647 41.878 -0.231 19285 5874 1 16 . 1 1 5 5 LEU H H 5 8.570 8.570 8.541 0.029 19285 5875 1 16 . 1 1 6 6 SER N N 6 116.354 116.354 115.999 0.355 19285 5876 1 16 . 1 1 6 6 SER HA H 6 4.261 4.261 4.404 -0.143 19285 5877 1 16 . 1 1 6 6 SER C C 6 176.745 176.745 176.759 -0.014 19285 5878 1 16 . 1 1 6 6 SER CA C 6 61.992 61.992 62.063 -0.071 19285 5879 1 16 . 1 1 6 6 SER CB C 6 62.341 62.341 62.853 -0.512 19285 5880 1 16 . 1 1 6 6 SER H H 6 8.604 8.604 8.496 0.108 19285 5881 1 16 . 1 1 7 7 GLU N N 7 122.072 122.072 122.094 -0.022 19285 5882 1 16 . 1 1 7 7 GLU HA H 7 4.190 4.190 4.043 0.147 19285 5883 1 16 . 1 1 7 7 GLU C C 7 178.189 178.189 178.972 -0.783 19285 5884 1 16 . 1 1 7 7 GLU CA C 7 58.831 58.831 59.407 -0.577 19285 5885 1 16 . 1 1 7 7 GLU CB C 7 28.965 28.965 29.590 -0.625 19285 5886 1 16 . 1 1 7 7 GLU H H 7 7.720 7.720 7.761 -0.041 19285 5887 1 16 . 1 1 8 8 CYS N N 8 117.904 117.904 118.349 -0.445 19285 5888 1 16 . 1 1 8 8 CYS HA H 8 4.053 4.053 3.602 0.451 19285 5889 1 16 . 1 1 8 8 CYS C C 8 175.681 175.681 176.360 -0.679 19285 5890 1 16 . 1 1 8 8 CYS CA C 8 62.437 62.437 63.430 -0.993 19285 5891 1 16 . 1 1 8 8 CYS CB C 8 26.416 26.416 27.438 -1.022 19285 5892 1 16 . 1 1 8 8 CYS H H 8 8.019 8.019 8.211 -0.192 19285 5893 1 16 . 1 1 9 9 PHE N N 9 119.590 119.590 121.008 -1.418 19285 5894 1 16 . 1 1 9 9 PHE HA H 9 3.351 3.351 3.384 -0.033 19285 5895 1 16 . 1 1 9 9 PHE C C 9 175.681 175.681 176.722 -1.041 19285 5896 1 16 . 1 1 9 9 PHE CA C 9 62.181 62.181 61.711 0.470 19285 5897 1 16 . 1 1 9 9 PHE CB C 9 39.277 39.277 38.667 0.610 19285 5898 1 16 . 1 1 9 9 PHE H H 9 8.427 8.427 8.365 0.062 19285 5899 1 16 . 1 1 10 10 ARG N N 10 114.910 114.910 117.602 -2.692 19285 5900 1 16 . 1 1 10 10 ARG HA H 10 3.953 3.953 3.809 0.144 19285 5901 1 16 . 1 1 10 10 ARG C C 10 178.486 178.486 178.057 0.429 19285 5902 1 16 . 1 1 10 10 ARG CA C 10 58.967 58.967 59.260 -0.293 19285 5903 1 16 . 1 1 10 10 ARG CB C 10 29.948 29.948 30.197 -0.249 19285 5904 1 16 . 1 1 10 10 ARG H H 10 7.558 7.558 7.755 -0.197 19285 5905 1 16 . 1 1 11 11 ILE N N 11 118.349 118.349 118.239 0.110 19285 5906 1 16 . 1 1 11 11 ILE HA H 11 3.582 3.582 3.723 -0.141 19285 5907 1 16 . 1 1 11 11 ILE C C 11 178.112 178.112 177.578 0.534 19285 5908 1 16 . 1 1 11 11 ILE CA C 11 63.622 63.622 64.296 -0.674 19285 5909 1 16 . 1 1 11 11 ILE CB C 11 37.340 37.340 38.251 -0.911 19285 5910 1 16 . 1 1 11 11 ILE H H 11 7.592 7.592 7.395 0.197 19285 5911 1 16 . 1 1 12 12 PHE N N 12 116.960 116.960 115.612 1.348 19285 5912 1 16 . 1 1 12 12 PHE HA H 12 4.477 4.477 4.278 0.199 19285 5913 1 16 . 1 1 12 12 PHE C C 12 176.714 176.714 176.607 0.107 19285 5914 1 16 . 1 1 12 12 PHE CA C 12 58.669 58.669 56.474 2.195 19285 5915 1 16 . 1 1 12 12 PHE CB C 12 39.165 39.165 38.670 0.495 19285 5916 1 16 . 1 1 12 12 PHE H H 12 7.554 7.554 7.800 -0.246 19285 5917 1 16 . 1 1 13 13 ASP N N 13 119.667 119.667 119.430 0.237 19285 5918 1 16 . 1 1 13 13 ASP HA H 13 4.474 4.474 4.674 -0.200 19285 5919 1 16 . 1 1 13 13 ASP C C 13 176.772 176.772 176.467 0.305 19285 5920 1 16 . 1 1 13 13 ASP CA C 13 52.106 52.106 52.928 -0.822 19285 5921 1 16 . 1 1 13 13 ASP CB C 13 37.794 37.794 39.059 -1.265 19285 5922 1 16 . 1 1 13 13 ASP H H 13 7.725 7.725 7.610 0.115 19285 5923 1 16 . 1 1 14 14 LYS N N 14 125.111 125.111 123.253 1.858 19285 5924 1 16 . 1 1 14 14 LYS HA H 14 3.933 3.933 4.022 -0.089 19285 5925 1 16 . 1 1 14 14 LYS C C 14 178.180 178.180 177.918 0.262 19285 5926 1 16 . 1 1 14 14 LYS CA C 14 59.277 59.277 58.403 0.874 19285 5927 1 16 . 1 1 14 14 LYS CB C 14 32.988 32.988 32.543 0.445 19285 5928 1 16 . 1 1 14 14 LYS H H 14 7.577 7.577 8.006 -0.429 19285 5929 1 16 . 1 1 15 15 ASP N N 15 114.010 114.010 117.418 -3.408 19285 5930 1 16 . 1 1 15 15 ASP HA H 15 4.588 4.588 4.466 0.122 19285 5931 1 16 . 1 1 15 15 ASP C C 15 177.680 177.680 177.292 0.388 19285 5932 1 16 . 1 1 15 15 ASP CA C 15 52.565 52.565 55.447 -2.882 19285 5933 1 16 . 1 1 15 15 ASP CB C 15 39.322 39.322 41.265 -1.943 19285 5934 1 16 . 1 1 15 15 ASP H H 15 8.032 8.032 8.552 -0.520 19285 5935 1 16 . 1 1 16 16 GLY N N 16 109.187 109.187 106.151 3.036 19285 5936 1 16 . 1 1 16 16 GLY C C 16 175.043 175.043 174.875 0.168 19285 5937 1 16 . 1 1 16 16 GLY CA C 16 47.001 47.001 45.158 1.843 19285 5938 1 16 . 1 1 16 16 GLY H H 16 7.713 7.713 8.295 -0.582 19285 5939 1 16 . 1 1 17 17 ASN N N 17 118.569 118.569 118.896 -0.327 19285 5940 1 16 . 1 1 17 17 ASN HA H 17 4.600 4.600 4.605 -0.005 19285 5941 1 16 . 1 1 17 17 ASN C C 17 176.026 176.026 176.084 -0.058 19285 5942 1 16 . 1 1 17 17 ASN CA C 17 52.265 52.265 52.882 -0.617 19285 5943 1 16 . 1 1 17 17 ASN CB C 17 37.340 37.340 38.586 -1.246 19285 5944 1 16 . 1 1 17 17 ASN H H 17 8.118 8.118 8.100 0.018 19285 5945 1 16 . 1 1 18 18 GLY N N 18 112.477 112.477 107.586 4.891 19285 5946 1 16 . 1 1 18 18 GLY C C 18 172.479 172.479 173.222 -0.743 19285 5947 1 16 . 1 1 18 18 GLY CA C 18 45.110 45.110 45.272 -0.162 19285 5948 1 16 . 1 1 18 18 GLY H H 18 10.596 10.596 8.630 1.966 19285 5949 1 16 . 1 1 19 19 PHE N N 19 113.792 113.792 112.965 0.827 19285 5950 1 16 . 1 1 19 19 PHE HA H 19 5.291 5.291 5.432 -0.141 19285 5951 1 16 . 1 1 19 19 PHE C C 19 173.646 173.646 173.073 0.573 19285 5952 1 16 . 1 1 19 19 PHE CA C 19 55.516 55.516 56.522 -1.006 19285 5953 1 16 . 1 1 19 19 PHE CB C 19 43.196 43.196 40.820 2.376 19285 5954 1 16 . 1 1 19 19 PHE H H 19 7.500 7.500 7.826 -0.326 19285 5955 1 16 . 1 1 20 20 ILE N N 20 126.629 126.629 121.996 4.633 19285 5956 1 16 . 1 1 20 20 ILE HA H 20 5.051 5.051 4.628 0.423 19285 5957 1 16 . 1 1 20 20 ILE C C 20 175.764 175.764 176.340 -0.576 19285 5958 1 16 . 1 1 20 20 ILE CA C 20 58.933 58.933 59.909 -0.976 19285 5959 1 16 . 1 1 20 20 ILE CB C 20 37.846 37.846 36.976 0.870 19285 5960 1 16 . 1 1 20 20 ILE H H 20 9.988 9.988 8.729 1.259 19285 5961 1 16 . 1 1 21 21 ASP N N 21 129.797 129.797 127.846 1.951 19285 5962 1 16 . 1 1 21 21 ASP HA H 21 5.124 5.124 5.158 -0.034 19285 5963 1 16 . 1 1 21 21 ASP C C 21 175.686 175.686 177.270 -1.584 19285 5964 1 16 . 1 1 21 21 ASP CA C 21 52.214 52.214 52.988 -0.774 19285 5965 1 16 . 1 1 21 21 ASP CB C 21 41.907 41.907 43.803 -1.896 19285 5966 1 16 . 1 1 21 21 ASP H H 21 9.322 9.322 8.892 0.430 19285 5967 1 16 . 1 1 22 22 ARG N N 22 118.041 118.041 123.117 -5.076 19285 5968 1 16 . 1 1 22 22 ARG HA H 22 3.359 3.359 3.738 -0.379 19285 5969 1 16 . 1 1 22 22 ARG C C 22 178.803 178.803 178.050 0.753 19285 5970 1 16 . 1 1 22 22 ARG CA C 22 58.193 58.193 59.973 -1.780 19285 5971 1 16 . 1 1 22 22 ARG CB C 22 28.264 28.264 29.802 -1.538 19285 5972 1 16 . 1 1 22 22 ARG H H 22 8.564 8.564 8.534 0.030 19285 5973 1 16 . 1 1 23 23 GLU N N 23 122.771 122.771 118.344 4.427 19285 5974 1 16 . 1 1 23 23 GLU HA H 23 4.108 4.108 4.004 0.104 19285 5975 1 16 . 1 1 23 23 GLU C C 23 180.100 180.100 178.457 1.643 19285 5976 1 16 . 1 1 23 23 GLU CA C 23 59.392 59.392 59.543 -0.151 19285 5977 1 16 . 1 1 23 23 GLU CB C 23 28.950 28.950 28.789 0.161 19285 5978 1 16 . 1 1 23 23 GLU H H 23 8.309 8.309 8.681 -0.372 19285 5979 1 16 . 1 1 24 24 GLU N N 24 122.272 122.272 119.643 2.629 19285 5980 1 16 . 1 1 24 24 GLU HA H 24 4.179 4.179 4.079 0.100 19285 5981 1 16 . 1 1 24 24 GLU C C 24 179.466 179.466 178.692 0.774 19285 5982 1 16 . 1 1 24 24 GLU CA C 24 58.237 58.237 58.898 -0.661 19285 5983 1 16 . 1 1 24 24 GLU CB C 24 30.455 30.455 29.462 0.993 19285 5984 1 16 . 1 1 24 24 GLU H H 24 9.062 9.062 8.152 0.910 19285 5985 1 16 . 1 1 25 25 PHE N N 25 118.985 118.985 121.392 -2.407 19285 5986 1 16 . 1 1 25 25 PHE HA H 25 4.050 4.050 4.216 -0.166 19285 5987 1 16 . 1 1 25 25 PHE C C 25 176.876 176.876 177.178 -0.302 19285 5988 1 16 . 1 1 25 25 PHE CA C 25 60.766 60.766 60.849 -0.083 19285 5989 1 16 . 1 1 25 25 PHE CB C 25 40.514 40.514 38.978 1.536 19285 5990 1 16 . 1 1 25 25 PHE H H 25 8.931 8.931 8.455 0.476 19285 5991 1 16 . 1 1 26 26 GLY N N 26 103.509 103.509 107.042 -3.533 19285 5992 1 16 . 1 1 26 26 GLY C C 26 175.475 175.475 175.854 -0.379 19285 5993 1 16 . 1 1 26 26 GLY CA C 26 47.163 47.163 47.446 -0.283 19285 5994 1 16 . 1 1 26 26 GLY H H 26 7.891 7.891 8.086 -0.195 19285 5995 1 16 . 1 1 27 27 ASP N N 27 119.470 119.470 122.426 -2.956 19285 5996 1 16 . 1 1 27 27 ASP HA H 27 4.545 4.545 4.410 0.135 19285 5997 1 16 . 1 1 27 27 ASP C C 27 177.555 177.555 178.540 -0.985 19285 5998 1 16 . 1 1 27 27 ASP CA C 27 56.657 56.657 56.701 -0.044 19285 5999 1 16 . 1 1 27 27 ASP CB C 27 40.521 40.521 40.430 0.091 19285 6000 1 16 . 1 1 27 27 ASP H H 27 7.492 7.492 7.506 -0.014 19285 6001 1 16 . 1 1 28 28 ILE N N 28 119.005 119.005 120.712 -1.707 19285 6002 1 16 . 1 1 28 28 ILE HA H 28 3.222 3.222 3.106 0.116 19285 6003 1 16 . 1 1 28 28 ILE C C 28 178.112 178.112 177.697 0.415 19285 6004 1 16 . 1 1 28 28 ILE CA C 28 63.693 63.693 64.848 -1.155 19285 6005 1 16 . 1 1 28 28 ILE CB C 28 36.967 36.967 37.506 -0.539 19285 6006 1 16 . 1 1 28 28 ILE H H 28 7.290 7.290 7.630 -0.340 19285 6007 1 16 . 1 1 29 29 ILE N N 29 118.036 118.036 119.593 -1.557 19285 6008 1 16 . 1 1 29 29 ILE HA H 29 3.792 3.792 3.466 0.326 19285 6009 1 16 . 1 1 29 29 ILE C C 29 178.396 178.396 178.316 0.080 19285 6010 1 16 . 1 1 29 29 ILE CA C 29 61.114 61.114 65.540 -4.426 19285 6011 1 16 . 1 1 29 29 ILE CB C 29 36.103 36.103 37.449 -1.346 19285 6012 1 16 . 1 1 29 29 ILE H H 29 7.217 7.217 7.851 -0.634 19285 6013 1 16 . 1 1 30 30 ARG N N 30 120.280 120.280 118.609 1.671 19285 6014 1 16 . 1 1 30 30 ARG HA H 30 4.165 4.165 4.010 0.155 19285 6015 1 16 . 1 1 30 30 ARG C C 30 178.243 178.243 178.948 -0.705 19285 6016 1 16 . 1 1 30 30 ARG CA C 30 58.528 58.528 58.954 -0.426 19285 6017 1 16 . 1 1 30 30 ARG CB C 30 29.873 29.873 30.039 -0.166 19285 6018 1 16 . 1 1 30 30 ARG H H 30 7.748 7.748 7.302 0.446 19285 6019 1 16 . 1 1 31 31 LEU N N 31 119.077 119.077 119.135 -0.058 19285 6020 1 16 . 1 1 31 31 LEU HA H 31 4.211 4.211 4.136 0.075 19285 6021 1 16 . 1 1 31 31 LEU C C 31 178.573 178.573 178.546 0.027 19285 6022 1 16 . 1 1 31 31 LEU CA C 31 56.866 56.866 57.114 -0.248 19285 6023 1 16 . 1 1 31 31 LEU CB C 31 41.900 41.900 41.982 -0.082 19285 6024 1 16 . 1 1 31 31 LEU H H 31 7.614 7.614 7.909 -0.295 19285 6025 1 16 . 1 1 32 32 THR N N 32 108.038 108.038 107.590 0.448 19285 6026 1 16 . 1 1 32 32 THR HA H 32 4.346 4.346 4.349 -0.003 19285 6027 1 16 . 1 1 32 32 THR C C 32 175.796 175.796 175.813 -0.017 19285 6028 1 16 . 1 1 32 32 THR CA C 32 62.532 62.532 62.117 0.415 19285 6029 1 16 . 1 1 32 32 THR CB C 32 70.251 70.251 69.957 0.294 19285 6030 1 16 . 1 1 32 32 THR H H 32 7.652 7.652 7.947 -0.295 19285 6031 1 16 . 1 1 33 33 GLY N N 33 109.261 109.261 111.121 -1.860 19285 6032 1 16 . 1 1 33 33 GLY C C 33 174.020 174.020 174.085 -0.065 19285 6033 1 16 . 1 1 33 33 GLY CA C 33 45.617 45.617 45.190 0.427 19285 6034 1 16 . 1 1 33 33 GLY H H 33 7.812 7.812 7.786 0.026 19285 6035 1 16 . 1 1 34 34 GLU N N 34 120.265 120.265 120.007 0.258 19285 6036 1 16 . 1 1 34 34 GLU HA H 34 4.264 4.264 4.552 -0.288 19285 6037 1 16 . 1 1 34 34 GLU C C 34 176.124 176.124 176.611 -0.487 19285 6038 1 16 . 1 1 34 34 GLU CA C 34 56.198 56.198 54.641 1.557 19285 6039 1 16 . 1 1 34 34 GLU CB C 34 30.221 30.221 30.903 -0.682 19285 6040 1 16 . 1 1 34 34 GLU H H 34 7.857 7.857 8.229 -0.372 19285 6041 1 16 . 1 1 35 35 GLN N N 35 122.159 122.159 121.323 0.836 19285 6042 1 16 . 1 1 35 35 GLN HA H 35 4.319 4.319 4.475 -0.156 19285 6043 1 16 . 1 1 35 35 GLN C C 35 174.957 174.957 175.029 -0.072 19285 6044 1 16 . 1 1 35 35 GLN CA C 35 55.489 55.489 54.951 0.538 19285 6045 1 16 . 1 1 35 35 GLN CB C 35 27.772 27.772 27.184 0.588 19285 6046 1 16 . 1 1 35 35 GLN H H 35 8.683 8.683 8.509 0.174 19285 6047 1 16 . 1 1 36 36 LEU N N 36 124.703 124.703 121.843 2.860 19285 6048 1 16 . 1 1 36 36 LEU HA H 36 4.764 4.764 4.677 0.087 19285 6049 1 16 . 1 1 36 36 LEU C C 36 177.647 177.647 177.459 0.188 19285 6050 1 16 . 1 1 36 36 LEU CA C 36 53.868 53.868 53.723 0.145 19285 6051 1 16 . 1 1 36 36 LEU CB C 36 44.448 44.448 43.852 0.596 19285 6052 1 16 . 1 1 36 36 LEU H H 36 7.790 7.790 7.546 0.244 19285 6053 1 16 . 1 1 37 37 THR N N 37 114.475 114.475 112.582 1.893 19285 6054 1 16 . 1 1 37 37 THR HA H 37 4.485 4.485 4.537 -0.052 19285 6055 1 16 . 1 1 37 37 THR C C 37 175.339 175.339 175.165 0.174 19285 6056 1 16 . 1 1 37 37 THR CA C 37 60.591 60.591 60.449 0.142 19285 6057 1 16 . 1 1 37 37 THR CB C 37 71.227 71.227 71.008 0.219 19285 6058 1 16 . 1 1 37 37 THR H H 37 9.146 9.146 9.167 -0.021 19285 6059 1 16 . 1 1 38 38 ASP N N 38 120.839 120.839 120.977 -0.138 19285 6060 1 16 . 1 1 38 38 ASP HA H 38 4.255 4.255 4.421 -0.166 19285 6061 1 16 . 1 1 38 38 ASP C C 38 177.870 177.870 178.599 -0.729 19285 6062 1 16 . 1 1 38 38 ASP CA C 38 57.889 57.889 57.221 0.668 19285 6063 1 16 . 1 1 38 38 ASP CB C 38 39.895 39.895 40.311 -0.416 19285 6064 1 16 . 1 1 38 38 ASP H H 38 8.857 8.857 8.823 0.034 19285 6065 1 16 . 1 1 39 39 GLU N N 39 118.596 118.596 119.587 -0.991 19285 6066 1 16 . 1 1 39 39 GLU HA H 39 4.120 4.120 4.112 0.008 19285 6067 1 16 . 1 1 39 39 GLU C C 39 179.052 179.052 178.837 0.215 19285 6068 1 16 . 1 1 39 39 GLU CA C 39 59.662 59.662 59.192 0.470 19285 6069 1 16 . 1 1 39 39 GLU CB C 39 28.823 28.823 29.518 -0.695 19285 6070 1 16 . 1 1 39 39 GLU H H 39 8.389 8.389 8.643 -0.254 19285 6071 1 16 . 1 1 40 40 ASP N N 40 121.412 121.412 120.515 0.897 19285 6072 1 16 . 1 1 40 40 ASP HA H 40 4.460 4.460 4.509 -0.049 19285 6073 1 16 . 1 1 40 40 ASP C C 40 179.307 179.307 178.966 0.341 19285 6074 1 16 . 1 1 40 40 ASP CA C 40 57.164 57.164 57.269 -0.105 19285 6075 1 16 . 1 1 40 40 ASP CB C 40 41.229 41.229 40.517 0.712 19285 6076 1 16 . 1 1 40 40 ASP H H 40 7.768 7.768 8.010 -0.242 19285 6077 1 16 . 1 1 41 41 VAL N N 41 121.053 121.053 120.260 0.793 19285 6078 1 16 . 1 1 41 41 VAL HA H 41 3.605 3.605 3.969 -0.364 19285 6079 1 16 . 1 1 41 41 VAL C C 41 177.685 177.685 177.902 -0.217 19285 6080 1 16 . 1 1 41 41 VAL CA C 41 67.286 67.286 67.338 -0.052 19285 6081 1 16 . 1 1 41 41 VAL CB C 41 31.498 31.498 31.976 -0.478 19285 6082 1 16 . 1 1 41 41 VAL H H 41 8.215 8.215 7.851 0.364 19285 6083 1 16 . 1 1 42 42 ASP N N 42 120.507 120.507 118.841 1.666 19285 6084 1 16 . 1 1 42 42 ASP HA H 42 4.213 4.213 4.442 -0.229 19285 6085 1 16 . 1 1 42 42 ASP C C 42 179.444 179.444 178.302 1.142 19285 6086 1 16 . 1 1 42 42 ASP CA C 42 57.744 57.744 57.588 0.156 19285 6087 1 16 . 1 1 42 42 ASP CB C 42 40.082 40.082 40.996 -0.914 19285 6088 1 16 . 1 1 42 42 ASP H H 42 8.527 8.527 7.806 0.721 19285 6089 1 16 . 1 1 43 43 GLU N N 43 121.091 121.091 120.407 0.684 19285 6090 1 16 . 1 1 43 43 GLU HA H 43 4.119 4.119 4.068 0.051 19285 6091 1 16 . 1 1 43 43 GLU C C 43 178.328 178.328 178.990 -0.662 19285 6092 1 16 . 1 1 43 43 GLU CA C 43 59.264 59.264 59.530 -0.266 19285 6093 1 16 . 1 1 43 43 GLU CB C 43 29.277 29.277 29.770 -0.493 19285 6094 1 16 . 1 1 43 43 GLU H H 43 7.758 7.758 8.133 -0.375 19285 6095 1 16 . 1 1 44 44 ILE N N 44 120.248 120.248 119.792 0.456 19285 6096 1 16 . 1 1 44 44 ILE HA H 44 3.957 3.957 3.671 0.286 19285 6097 1 16 . 1 1 44 44 ILE C C 44 179.412 179.412 177.824 1.588 19285 6098 1 16 . 1 1 44 44 ILE CA C 44 64.747 64.747 65.060 -0.313 19285 6099 1 16 . 1 1 44 44 ILE CB C 44 38.919 38.919 37.874 1.045 19285 6100 1 16 . 1 1 44 44 ILE H H 44 7.934 7.934 8.177 -0.243 19285 6101 1 16 . 1 1 45 45 PHE N N 45 124.028 124.028 121.317 2.711 19285 6102 1 16 . 1 1 45 45 PHE HA H 45 3.126 3.126 3.972 -0.846 19285 6103 1 16 . 1 1 45 45 PHE C C 45 176.732 176.732 177.356 -0.624 19285 6104 1 16 . 1 1 45 45 PHE CA C 45 62.039 62.039 61.544 0.495 19285 6105 1 16 . 1 1 45 45 PHE CB C 45 38.562 38.562 38.726 -0.164 19285 6106 1 16 . 1 1 45 45 PHE H H 45 9.019 9.019 8.285 0.734 19285 6107 1 16 . 1 1 46 46 GLY N N 46 104.229 104.229 106.145 -1.916 19285 6108 1 16 . 1 1 46 46 GLY C C 46 176.365 176.365 175.434 0.931 19285 6109 1 16 . 1 1 46 46 GLY CA C 46 47.055 47.055 46.823 0.232 19285 6110 1 16 . 1 1 46 46 GLY H H 46 8.219 8.219 8.331 -0.112 19285 6111 1 16 . 1 1 47 47 ASP N N 47 119.686 119.686 119.814 -0.128 19285 6112 1 16 . 1 1 47 47 ASP HA H 47 4.343 4.343 4.492 -0.149 19285 6113 1 16 . 1 1 47 47 ASP C C 47 178.101 178.101 177.491 0.610 19285 6114 1 16 . 1 1 47 47 ASP CA C 47 56.235 56.235 56.031 0.204 19285 6115 1 16 . 1 1 47 47 ASP CB C 47 40.558 40.558 40.763 -0.205 19285 6116 1 16 . 1 1 47 47 ASP H H 47 8.106 8.106 7.918 0.188 19285 6117 1 16 . 1 1 48 48 SER N N 48 113.923 113.923 112.809 1.114 19285 6118 1 16 . 1 1 48 48 SER HA H 48 4.281 4.281 4.171 0.110 19285 6119 1 16 . 1 1 48 48 SER C C 48 173.432 173.432 174.256 -0.824 19285 6120 1 16 . 1 1 48 48 SER CA C 48 59.878 59.878 60.737 -0.859 19285 6121 1 16 . 1 1 48 48 SER CB C 48 63.709 63.709 63.588 0.121 19285 6122 1 16 . 1 1 48 48 SER H H 48 7.567 7.567 7.876 -0.309 19285 6123 1 16 . 1 1 49 49 ASP N N 49 121.595 121.595 120.483 1.112 19285 6124 1 16 . 1 1 49 49 ASP HA H 49 4.424 4.424 4.735 -0.311 19285 6125 1 16 . 1 1 49 49 ASP C C 49 177.055 177.055 177.222 -0.167 19285 6126 1 16 . 1 1 49 49 ASP CA C 49 51.836 51.836 54.188 -2.352 19285 6127 1 16 . 1 1 49 49 ASP CB C 49 38.427 38.427 40.423 -1.996 19285 6128 1 16 . 1 1 49 49 ASP H H 49 7.323 7.323 7.366 -0.043 19285 6129 1 16 . 1 1 50 50 THR N N 50 119.204 119.204 117.192 2.012 19285 6130 1 16 . 1 1 50 50 THR HA H 50 3.863 3.863 4.412 -0.549 19285 6131 1 16 . 1 1 50 50 THR C C 50 176.041 176.041 175.596 0.445 19285 6132 1 16 . 1 1 50 50 THR CA C 50 65.351 65.351 62.522 2.829 19285 6133 1 16 . 1 1 50 50 THR CB C 50 68.597 68.597 69.811 -1.214 19285 6134 1 16 . 1 1 50 50 THR H H 50 7.841 7.841 9.124 -1.283 19285 6135 1 16 . 1 1 51 51 ASP N N 51 117.233 117.233 121.202 -3.969 19285 6136 1 16 . 1 1 51 51 ASP HA H 51 4.607 4.607 4.739 -0.132 19285 6137 1 16 . 1 1 51 51 ASP C C 51 175.994 175.994 175.097 0.897 19285 6138 1 16 . 1 1 51 51 ASP CA C 51 52.795 52.795 54.617 -1.822 19285 6139 1 16 . 1 1 51 51 ASP CB C 51 39.098 39.098 41.297 -2.199 19285 6140 1 16 . 1 1 51 51 ASP H H 51 7.972 7.972 8.230 -0.258 19285 6141 1 16 . 1 1 52 52 LYS N N 52 113.938 113.938 116.761 -2.823 19285 6142 1 16 . 1 1 52 52 LYS HA H 52 3.961 3.961 3.923 0.038 19285 6143 1 16 . 1 1 52 52 LYS C C 52 176.126 176.126 175.538 0.588 19285 6144 1 16 . 1 1 52 52 LYS CA C 52 56.238 56.238 57.158 -0.920 19285 6145 1 16 . 1 1 52 52 LYS CB C 52 28.711 28.711 29.821 -1.110 19285 6146 1 16 . 1 1 52 52 LYS H H 52 7.729 7.729 8.254 -0.525 19285 6147 1 16 . 1 1 53 53 ASN N N 53 117.127 117.127 117.250 -0.123 19285 6148 1 16 . 1 1 53 53 ASN HA H 53 4.764 4.764 4.763 0.001 19285 6149 1 16 . 1 1 53 53 ASN C C 53 177.056 177.056 176.089 0.967 19285 6150 1 16 . 1 1 53 53 ASN CA C 53 51.626 51.626 52.974 -1.348 19285 6151 1 16 . 1 1 53 53 ASN CB C 53 37.742 37.742 39.673 -1.931 19285 6152 1 16 . 1 1 53 53 ASN H H 53 8.193 8.193 8.604 -0.411 19285 6153 1 16 . 1 1 54 54 GLY N N 54 113.327 113.327 110.372 2.955 19285 6154 1 16 . 1 1 54 54 GLY C C 54 172.983 172.983 172.851 0.132 19285 6155 1 16 . 1 1 54 54 GLY CA C 54 45.671 45.671 45.348 0.323 19285 6156 1 16 . 1 1 54 54 GLY H H 54 10.782 10.782 8.915 1.867 19285 6157 1 16 . 1 1 55 55 ARG N N 55 115.634 115.634 116.608 -0.974 19285 6158 1 16 . 1 1 55 55 ARG HA H 55 4.826 4.826 4.505 0.321 19285 6159 1 16 . 1 1 55 55 ARG C C 55 173.745 173.745 173.813 -0.068 19285 6160 1 16 . 1 1 55 55 ARG CA C 55 54.044 54.044 53.746 0.298 19285 6161 1 16 . 1 1 55 55 ARG CB C 55 33.457 33.457 32.883 0.574 19285 6162 1 16 . 1 1 55 55 ARG H H 55 7.501 7.501 8.261 -0.760 19285 6163 1 16 . 1 1 56 56 ILE N N 56 127.446 127.446 121.802 5.644 19285 6164 1 16 . 1 1 56 56 ILE HA H 56 5.127 5.127 4.759 0.368 19285 6165 1 16 . 1 1 56 56 ILE C C 56 175.886 175.886 175.219 0.667 19285 6166 1 16 . 1 1 56 56 ILE CA C 56 58.892 58.892 60.210 -1.318 19285 6167 1 16 . 1 1 56 56 ILE CB C 56 36.907 36.907 39.894 -2.987 19285 6168 1 16 . 1 1 56 56 ILE H H 56 9.592 9.592 8.598 0.994 19285 6169 1 16 . 1 1 57 57 ASP N N 57 129.499 129.499 128.050 1.449 19285 6170 1 16 . 1 1 57 57 ASP HA H 57 5.185 5.185 5.009 0.176 19285 6171 1 16 . 1 1 57 57 ASP C C 57 175.630 175.630 177.145 -1.515 19285 6172 1 16 . 1 1 57 57 ASP CA C 57 52.329 52.329 53.282 -0.953 19285 6173 1 16 . 1 1 57 57 ASP CB C 57 42.175 42.175 43.118 -0.943 19285 6174 1 16 . 1 1 57 57 ASP H H 57 9.267 9.267 8.958 0.309 19285 6175 1 16 . 1 1 58 58 PHE N N 58 118.391 118.391 121.090 -2.699 19285 6176 1 16 . 1 1 58 58 PHE HA H 58 3.761 3.761 3.663 0.098 19285 6177 1 16 . 1 1 58 58 PHE C C 58 176.306 176.306 176.561 -0.255 19285 6178 1 16 . 1 1 58 58 PHE CA C 58 61.806 61.806 61.949 -0.143 19285 6179 1 16 . 1 1 58 58 PHE CB C 58 38.539 38.539 38.950 -0.411 19285 6180 1 16 . 1 1 58 58 PHE H H 58 8.799 8.799 8.876 -0.077 19285 6181 1 16 . 1 1 59 59 ASP N N 59 118.077 118.077 118.777 -0.700 19285 6182 1 16 . 1 1 59 59 ASP HA H 59 4.167 4.167 4.222 -0.055 19285 6183 1 16 . 1 1 59 59 ASP C C 59 179.808 179.808 178.867 0.941 19285 6184 1 16 . 1 1 59 59 ASP CA C 59 57.781 57.781 58.078 -0.297 19285 6185 1 16 . 1 1 59 59 ASP CB C 59 41.399 41.399 39.578 1.821 19285 6186 1 16 . 1 1 59 59 ASP H H 59 7.930 7.930 8.776 -0.846 19285 6187 1 16 . 1 1 60 60 GLU N N 60 117.047 117.047 119.601 -2.554 19285 6188 1 16 . 1 1 60 60 GLU HA H 60 3.967 3.967 4.050 -0.083 19285 6189 1 16 . 1 1 60 60 GLU C C 60 180.287 180.287 178.765 1.522 19285 6190 1 16 . 1 1 60 60 GLU CA C 60 58.326 58.326 59.015 -0.689 19285 6191 1 16 . 1 1 60 60 GLU CB C 60 29.925 29.925 29.442 0.483 19285 6192 1 16 . 1 1 60 60 GLU H H 60 7.331 7.331 8.593 -1.262 19285 6193 1 16 . 1 1 61 61 PHE N N 61 124.075 124.075 122.233 1.842 19285 6194 1 16 . 1 1 61 61 PHE HA H 61 4.155 4.155 4.288 -0.133 19285 6195 1 16 . 1 1 61 61 PHE C C 61 176.012 176.012 176.758 -0.746 19285 6196 1 16 . 1 1 61 61 PHE CA C 61 61.100 61.100 61.496 -0.396 19285 6197 1 16 . 1 1 61 61 PHE CB C 61 39.493 39.493 39.225 0.268 19285 6198 1 16 . 1 1 61 61 PHE H H 61 9.079 9.079 8.523 0.556 19285 6199 1 16 . 1 1 62 62 LEU N N 62 119.964 119.964 119.810 0.154 19285 6200 1 16 . 1 1 62 62 LEU HA H 62 3.501 3.501 3.639 -0.138 19285 6201 1 16 . 1 1 62 62 LEU C C 62 179.855 179.855 178.899 0.956 19285 6202 1 16 . 1 1 62 62 LEU CA C 62 58.109 58.109 58.142 -0.032 19285 6203 1 16 . 1 1 62 62 LEU CB C 62 40.495 40.495 41.007 -0.512 19285 6204 1 16 . 1 1 62 62 LEU H H 62 8.416 8.416 8.399 0.017 19285 6205 1 16 . 1 1 63 63 LYS N N 63 121.221 121.221 118.163 3.058 19285 6206 1 16 . 1 1 63 63 LYS HA H 63 4.060 4.060 3.984 0.076 19285 6207 1 16 . 1 1 63 63 LYS C C 63 178.875 178.875 179.195 -0.320 19285 6208 1 16 . 1 1 63 63 LYS CA C 63 58.288 58.288 58.928 -0.640 19285 6209 1 16 . 1 1 63 63 LYS CB C 63 31.683 31.683 32.328 -0.645 19285 6210 1 16 . 1 1 63 63 LYS H H 63 8.804 8.804 7.485 1.319 19285 6211 1 16 . 1 1 64 64 MET N N 64 119.896 119.896 120.173 -0.277 19285 6212 1 16 . 1 1 64 64 MET HA H 64 4.108 4.108 4.037 0.071 19285 6213 1 16 . 1 1 64 64 MET C C 64 178.427 178.427 178.543 -0.116 19285 6214 1 16 . 1 1 64 64 MET CA C 64 58.374 58.374 58.891 -0.517 19285 6215 1 16 . 1 1 64 64 MET CB C 64 32.200 32.200 32.751 -0.551 19285 6216 1 16 . 1 1 64 64 MET H H 64 7.895 7.895 7.967 -0.072 19285 6217 1 16 . 1 1 65 65 MET N N 65 116.299 116.299 116.900 -0.601 19285 6218 1 16 . 1 1 65 65 MET HA H 65 4.337 4.337 4.189 0.148 19285 6219 1 16 . 1 1 65 65 MET C C 65 178.184 178.184 178.989 -0.805 19285 6220 1 16 . 1 1 65 65 MET CA C 65 55.118 55.118 57.055 -1.937 19285 6221 1 16 . 1 1 65 65 MET CB C 65 30.790 30.790 30.651 0.139 19285 6222 1 16 . 1 1 65 65 MET H H 65 7.859 7.859 8.175 -0.316 19285 6223 1 16 . 1 1 66 66 GLU N N 66 119.624 119.624 117.975 1.649 19285 6224 1 16 . 1 1 66 66 GLU HA H 66 4.091 4.091 4.060 0.031 19285 6225 1 16 . 1 1 66 66 GLU C C 66 177.017 177.017 177.308 -0.291 19285 6226 1 16 . 1 1 66 66 GLU CA C 66 58.092 58.092 58.520 -0.428 19285 6227 1 16 . 1 1 66 66 GLU CB C 66 29.619 29.619 29.372 0.247 19285 6228 1 16 . 1 1 66 66 GLU H H 66 7.568 7.568 7.617 -0.050 19285 6229 1 16 . 1 1 67 67 ASN N N 67 116.153 116.153 115.031 1.122 19285 6230 1 16 . 1 1 67 67 ASN HA H 67 4.776 4.776 4.756 0.020 19285 6231 1 16 . 1 1 67 67 ASN C C 67 175.231 175.231 174.886 0.345 19285 6232 1 16 . 1 1 67 67 ASN CA C 67 53.440 53.440 53.184 0.256 19285 6233 1 16 . 1 1 67 67 ASN CB C 67 39.284 39.284 39.298 -0.014 19285 6234 1 16 . 1 1 67 67 ASN H H 67 7.819 7.819 7.754 0.065 19285 6235 1 16 . 1 1 68 68 VAL N N 68 119.217 119.217 121.617 -2.400 19285 6236 1 16 . 1 1 68 68 VAL HA H 68 4.147 4.147 4.040 0.107 19285 6237 1 16 . 1 1 68 68 VAL C C 68 175.101 175.101 175.149 -0.048 19285 6238 1 16 . 1 1 68 68 VAL CA C 68 62.576 62.576 62.343 0.233 19285 6239 1 16 . 1 1 68 68 VAL CB C 68 32.250 32.250 32.242 0.008 19285 6240 1 16 . 1 1 68 68 VAL H H 68 7.641 7.641 7.407 0.234 19285 6241 1 17 . 1 1 2 2 GLU N N 2 122.304 122.304 122.771 -0.467 19285 6242 1 17 . 1 1 2 2 GLU HA H 2 4.059 4.059 4.184 -0.125 19285 6243 1 17 . 1 1 2 2 GLU C C 2 178.560 178.560 178.338 0.222 19285 6244 1 17 . 1 1 2 2 GLU CA C 2 59.898 59.898 59.249 0.648 19285 6245 1 17 . 1 1 2 2 GLU CB C 2 29.215 29.215 29.604 -0.389 19285 6246 1 17 . 1 1 2 2 GLU H H 2 8.881 8.881 8.800 0.081 19285 6247 1 17 . 1 1 3 3 GLU N N 3 120.033 120.033 118.444 1.589 19285 6248 1 17 . 1 1 3 3 GLU HA H 3 4.155 4.155 4.147 0.008 19285 6249 1 17 . 1 1 3 3 GLU C C 3 179.048 179.048 179.178 -0.130 19285 6250 1 17 . 1 1 3 3 GLU CA C 3 59.270 59.270 59.482 -0.212 19285 6251 1 17 . 1 1 3 3 GLU CB C 3 29.343 29.343 29.427 -0.083 19285 6252 1 17 . 1 1 3 3 GLU H H 3 8.528 8.528 8.839 -0.311 19285 6253 1 17 . 1 1 4 4 GLU N N 4 120.958 120.958 119.703 1.255 19285 6254 1 17 . 1 1 4 4 GLU HA H 4 4.176 4.176 4.234 -0.057 19285 6255 1 17 . 1 1 4 4 GLU C C 4 179.840 179.840 179.112 0.728 19285 6256 1 17 . 1 1 4 4 GLU CA C 4 58.953 58.953 58.627 0.326 19285 6257 1 17 . 1 1 4 4 GLU CB C 4 29.586 29.586 29.848 -0.262 19285 6258 1 17 . 1 1 4 4 GLU H H 4 8.101 8.101 7.720 0.381 19285 6259 1 17 . 1 1 5 5 LEU N N 5 120.900 120.900 119.881 1.019 19285 6260 1 17 . 1 1 5 5 LEU HA H 5 4.395 4.395 4.315 0.080 19285 6261 1 17 . 1 1 5 5 LEU C C 5 179.432 179.432 179.132 0.300 19285 6262 1 17 . 1 1 5 5 LEU CA C 5 57.940 57.940 57.651 0.289 19285 6263 1 17 . 1 1 5 5 LEU CB C 5 41.647 41.647 41.834 -0.187 19285 6264 1 17 . 1 1 5 5 LEU H H 5 8.570 8.570 8.312 0.258 19285 6265 1 17 . 1 1 6 6 SER N N 6 116.354 116.354 115.449 0.905 19285 6266 1 17 . 1 1 6 6 SER HA H 6 4.261 4.261 4.628 -0.367 19285 6267 1 17 . 1 1 6 6 SER C C 6 176.745 176.745 177.096 -0.351 19285 6268 1 17 . 1 1 6 6 SER CA C 6 61.992 61.992 61.565 0.427 19285 6269 1 17 . 1 1 6 6 SER CB C 6 62.341 62.341 63.092 -0.751 19285 6270 1 17 . 1 1 6 6 SER H H 6 8.604 8.604 8.785 -0.181 19285 6271 1 17 . 1 1 7 7 GLU N N 7 122.072 122.072 123.201 -1.129 19285 6272 1 17 . 1 1 7 7 GLU HA H 7 4.190 4.190 4.228 -0.038 19285 6273 1 17 . 1 1 7 7 GLU C C 7 178.189 178.189 178.897 -0.708 19285 6274 1 17 . 1 1 7 7 GLU CA C 7 58.831 58.831 59.097 -0.266 19285 6275 1 17 . 1 1 7 7 GLU CB C 7 28.965 28.965 29.645 -0.680 19285 6276 1 17 . 1 1 7 7 GLU H H 7 7.720 7.720 7.692 0.028 19285 6277 1 17 . 1 1 8 8 CYS N N 8 117.904 117.904 119.107 -1.203 19285 6278 1 17 . 1 1 8 8 CYS HA H 8 4.053 4.053 4.100 -0.047 19285 6279 1 17 . 1 1 8 8 CYS C C 8 175.681 175.681 176.996 -1.315 19285 6280 1 17 . 1 1 8 8 CYS CA C 8 62.437 62.437 64.076 -1.639 19285 6281 1 17 . 1 1 8 8 CYS CB C 8 26.416 26.416 28.040 -1.624 19285 6282 1 17 . 1 1 8 8 CYS H H 8 8.019 8.019 8.225 -0.206 19285 6283 1 17 . 1 1 9 9 PHE N N 9 119.590 119.590 120.775 -1.185 19285 6284 1 17 . 1 1 9 9 PHE HA H 9 3.351 3.351 3.620 -0.269 19285 6285 1 17 . 1 1 9 9 PHE C C 9 175.681 175.681 176.863 -1.182 19285 6286 1 17 . 1 1 9 9 PHE CA C 9 62.181 62.181 62.018 0.163 19285 6287 1 17 . 1 1 9 9 PHE CB C 9 39.277 39.277 38.941 0.336 19285 6288 1 17 . 1 1 9 9 PHE H H 9 8.427 8.427 8.790 -0.363 19285 6289 1 17 . 1 1 10 10 ARG N N 10 114.910 114.910 117.246 -2.336 19285 6290 1 17 . 1 1 10 10 ARG HA H 10 3.953 3.953 3.906 0.047 19285 6291 1 17 . 1 1 10 10 ARG C C 10 178.486 178.486 177.695 0.791 19285 6292 1 17 . 1 1 10 10 ARG CA C 10 58.967 58.967 59.114 -0.147 19285 6293 1 17 . 1 1 10 10 ARG CB C 10 29.948 29.948 30.178 -0.230 19285 6294 1 17 . 1 1 10 10 ARG H H 10 7.558 7.558 7.656 -0.098 19285 6295 1 17 . 1 1 11 11 ILE N N 11 118.349 118.349 117.689 0.660 19285 6296 1 17 . 1 1 11 11 ILE HA H 11 3.582 3.582 3.700 -0.118 19285 6297 1 17 . 1 1 11 11 ILE C C 11 178.112 178.112 177.089 1.023 19285 6298 1 17 . 1 1 11 11 ILE CA C 11 63.622 63.622 63.847 -0.225 19285 6299 1 17 . 1 1 11 11 ILE CB C 11 37.340 37.340 37.890 -0.550 19285 6300 1 17 . 1 1 11 11 ILE H H 11 7.592 7.592 7.085 0.507 19285 6301 1 17 . 1 1 12 12 PHE N N 12 116.960 116.960 115.421 1.539 19285 6302 1 17 . 1 1 12 12 PHE HA H 12 4.477 4.477 4.297 0.180 19285 6303 1 17 . 1 1 12 12 PHE C C 12 176.714 176.714 176.670 0.044 19285 6304 1 17 . 1 1 12 12 PHE CA C 12 58.669 58.669 58.974 -0.305 19285 6305 1 17 . 1 1 12 12 PHE CB C 12 39.165 39.165 39.221 -0.056 19285 6306 1 17 . 1 1 12 12 PHE H H 12 7.554 7.554 7.770 -0.216 19285 6307 1 17 . 1 1 13 13 ASP N N 13 119.667 119.667 119.748 -0.081 19285 6308 1 17 . 1 1 13 13 ASP HA H 13 4.474 4.474 4.642 -0.168 19285 6309 1 17 . 1 1 13 13 ASP C C 13 176.772 176.772 176.197 0.575 19285 6310 1 17 . 1 1 13 13 ASP CA C 13 52.106 52.106 52.494 -0.388 19285 6311 1 17 . 1 1 13 13 ASP CB C 13 37.794 37.794 38.662 -0.868 19285 6312 1 17 . 1 1 13 13 ASP H H 13 7.725 7.725 7.750 -0.025 19285 6313 1 17 . 1 1 14 14 LYS N N 14 125.111 125.111 121.933 3.178 19285 6314 1 17 . 1 1 14 14 LYS HA H 14 3.933 3.933 4.071 -0.138 19285 6315 1 17 . 1 1 14 14 LYS C C 14 178.180 178.180 177.632 0.548 19285 6316 1 17 . 1 1 14 14 LYS CA C 14 59.277 59.277 58.040 1.237 19285 6317 1 17 . 1 1 14 14 LYS CB C 14 32.988 32.988 32.256 0.732 19285 6318 1 17 . 1 1 14 14 LYS H H 14 7.577 7.577 7.904 -0.327 19285 6319 1 17 . 1 1 15 15 ASP N N 15 114.010 114.010 118.430 -4.420 19285 6320 1 17 . 1 1 15 15 ASP HA H 15 4.588 4.588 4.553 0.035 19285 6321 1 17 . 1 1 15 15 ASP C C 15 177.680 177.680 177.117 0.563 19285 6322 1 17 . 1 1 15 15 ASP CA C 15 52.565 52.565 54.786 -2.221 19285 6323 1 17 . 1 1 15 15 ASP CB C 15 39.322 39.322 40.834 -1.512 19285 6324 1 17 . 1 1 15 15 ASP H H 15 8.032 8.032 8.445 -0.413 19285 6325 1 17 . 1 1 16 16 GLY N N 16 109.187 109.187 106.774 2.413 19285 6326 1 17 . 1 1 16 16 GLY C C 16 175.043 175.043 174.992 0.051 19285 6327 1 17 . 1 1 16 16 GLY CA C 16 47.001 47.001 45.363 1.638 19285 6328 1 17 . 1 1 16 16 GLY H H 16 7.713 7.713 7.896 -0.183 19285 6329 1 17 . 1 1 17 17 ASN N N 17 118.569 118.569 118.761 -0.192 19285 6330 1 17 . 1 1 17 17 ASN HA H 17 4.600 4.600 4.592 0.008 19285 6331 1 17 . 1 1 17 17 ASN C C 17 176.026 176.026 176.151 -0.125 19285 6332 1 17 . 1 1 17 17 ASN CA C 17 52.265 52.265 52.846 -0.581 19285 6333 1 17 . 1 1 17 17 ASN CB C 17 37.340 37.340 38.549 -1.209 19285 6334 1 17 . 1 1 17 17 ASN H H 17 8.118 8.118 8.322 -0.204 19285 6335 1 17 . 1 1 18 18 GLY N N 18 112.477 112.477 108.152 4.325 19285 6336 1 17 . 1 1 18 18 GLY C C 18 172.479 172.479 173.395 -0.916 19285 6337 1 17 . 1 1 18 18 GLY CA C 18 45.110 45.110 45.511 -0.401 19285 6338 1 17 . 1 1 18 18 GLY H H 18 10.596 10.596 8.776 1.820 19285 6339 1 17 . 1 1 19 19 PHE N N 19 113.792 113.792 112.826 0.966 19285 6340 1 17 . 1 1 19 19 PHE HA H 19 5.291 5.291 5.193 0.098 19285 6341 1 17 . 1 1 19 19 PHE C C 19 173.646 173.646 173.033 0.613 19285 6342 1 17 . 1 1 19 19 PHE CA C 19 55.516 55.516 55.937 -0.421 19285 6343 1 17 . 1 1 19 19 PHE CB C 19 43.196 43.196 40.763 2.433 19285 6344 1 17 . 1 1 19 19 PHE H H 19 7.500 7.500 6.999 0.501 19285 6345 1 17 . 1 1 20 20 ILE N N 20 126.629 126.629 122.687 3.942 19285 6346 1 17 . 1 1 20 20 ILE HA H 20 5.051 5.051 4.879 0.172 19285 6347 1 17 . 1 1 20 20 ILE C C 20 175.764 175.764 176.251 -0.487 19285 6348 1 17 . 1 1 20 20 ILE CA C 20 58.933 58.933 59.406 -0.472 19285 6349 1 17 . 1 1 20 20 ILE CB C 20 37.846 37.846 37.582 0.264 19285 6350 1 17 . 1 1 20 20 ILE H H 20 9.988 9.988 9.236 0.752 19285 6351 1 17 . 1 1 21 21 ASP N N 21 129.797 129.797 128.198 1.599 19285 6352 1 17 . 1 1 21 21 ASP HA H 21 5.124 5.124 5.367 -0.243 19285 6353 1 17 . 1 1 21 21 ASP C C 21 175.686 175.686 177.453 -1.767 19285 6354 1 17 . 1 1 21 21 ASP CA C 21 52.214 52.214 52.393 -0.179 19285 6355 1 17 . 1 1 21 21 ASP CB C 21 41.907 41.907 42.307 -0.400 19285 6356 1 17 . 1 1 21 21 ASP H H 21 9.322 9.322 9.225 0.097 19285 6357 1 17 . 1 1 22 22 ARG N N 22 118.041 118.041 119.984 -1.943 19285 6358 1 17 . 1 1 22 22 ARG HA H 22 3.359 3.359 3.279 0.080 19285 6359 1 17 . 1 1 22 22 ARG C C 22 178.803 178.803 178.156 0.647 19285 6360 1 17 . 1 1 22 22 ARG CA C 22 58.193 58.193 60.636 -2.443 19285 6361 1 17 . 1 1 22 22 ARG CB C 22 28.264 28.264 29.584 -1.320 19285 6362 1 17 . 1 1 22 22 ARG H H 22 8.564 8.564 8.645 -0.081 19285 6363 1 17 . 1 1 23 23 GLU N N 23 122.771 122.771 120.188 2.583 19285 6364 1 17 . 1 1 23 23 GLU HA H 23 4.108 4.108 4.018 0.090 19285 6365 1 17 . 1 1 23 23 GLU C C 23 180.100 180.100 178.527 1.573 19285 6366 1 17 . 1 1 23 23 GLU CA C 23 59.392 59.392 59.686 -0.294 19285 6367 1 17 . 1 1 23 23 GLU CB C 23 28.950 28.950 29.224 -0.274 19285 6368 1 17 . 1 1 23 23 GLU H H 23 8.309 8.309 8.470 -0.161 19285 6369 1 17 . 1 1 24 24 GLU N N 24 122.272 122.272 119.291 2.981 19285 6370 1 17 . 1 1 24 24 GLU HA H 24 4.179 4.179 4.128 0.051 19285 6371 1 17 . 1 1 24 24 GLU C C 24 179.466 179.466 179.274 0.192 19285 6372 1 17 . 1 1 24 24 GLU CA C 24 58.237 58.237 59.002 -0.765 19285 6373 1 17 . 1 1 24 24 GLU CB C 24 30.455 30.455 29.563 0.892 19285 6374 1 17 . 1 1 24 24 GLU H H 24 9.062 9.062 8.977 0.085 19285 6375 1 17 . 1 1 25 25 PHE N N 25 118.985 118.985 121.211 -2.226 19285 6376 1 17 . 1 1 25 25 PHE HA H 25 4.050 4.050 4.308 -0.258 19285 6377 1 17 . 1 1 25 25 PHE C C 25 176.876 176.876 177.182 -0.306 19285 6378 1 17 . 1 1 25 25 PHE CA C 25 60.766 60.766 60.757 0.009 19285 6379 1 17 . 1 1 25 25 PHE CB C 25 40.514 40.514 39.245 1.269 19285 6380 1 17 . 1 1 25 25 PHE H H 25 8.931 8.931 8.599 0.332 19285 6381 1 17 . 1 1 26 26 GLY N N 26 103.509 103.509 107.671 -4.162 19285 6382 1 17 . 1 1 26 26 GLY C C 26 175.475 175.475 175.854 -0.379 19285 6383 1 17 . 1 1 26 26 GLY CA C 26 47.163 47.163 47.502 -0.339 19285 6384 1 17 . 1 1 26 26 GLY H H 26 7.891 7.891 8.504 -0.613 19285 6385 1 17 . 1 1 27 27 ASP N N 27 119.470 119.470 122.650 -3.180 19285 6386 1 17 . 1 1 27 27 ASP HA H 27 4.545 4.545 4.484 0.061 19285 6387 1 17 . 1 1 27 27 ASP C C 27 177.555 177.555 178.769 -1.214 19285 6388 1 17 . 1 1 27 27 ASP CA C 27 56.657 56.657 57.094 -0.438 19285 6389 1 17 . 1 1 27 27 ASP CB C 27 40.521 40.521 40.504 0.017 19285 6390 1 17 . 1 1 27 27 ASP H H 27 7.492 7.492 7.890 -0.398 19285 6391 1 17 . 1 1 28 28 ILE N N 28 119.005 119.005 120.499 -1.494 19285 6392 1 17 . 1 1 28 28 ILE HA H 28 3.222 3.222 3.366 -0.144 19285 6393 1 17 . 1 1 28 28 ILE C C 28 178.112 178.112 177.574 0.538 19285 6394 1 17 . 1 1 28 28 ILE CA C 28 63.693 63.693 65.123 -1.430 19285 6395 1 17 . 1 1 28 28 ILE CB C 28 36.967 36.967 37.432 -0.465 19285 6396 1 17 . 1 1 28 28 ILE H H 28 7.290 7.290 7.571 -0.281 19285 6397 1 17 . 1 1 29 29 ILE N N 29 118.036 118.036 119.226 -1.190 19285 6398 1 17 . 1 1 29 29 ILE HA H 29 3.792 3.792 3.501 0.291 19285 6399 1 17 . 1 1 29 29 ILE C C 29 178.396 178.396 177.895 0.501 19285 6400 1 17 . 1 1 29 29 ILE CA C 29 61.114 61.114 63.513 -2.399 19285 6401 1 17 . 1 1 29 29 ILE CB C 29 36.103 36.103 36.191 -0.088 19285 6402 1 17 . 1 1 29 29 ILE H H 29 7.217 7.217 7.842 -0.625 19285 6403 1 17 . 1 1 30 30 ARG N N 30 120.280 120.280 120.698 -0.418 19285 6404 1 17 . 1 1 30 30 ARG HA H 30 4.165 4.165 4.015 0.150 19285 6405 1 17 . 1 1 30 30 ARG C C 30 178.243 178.243 178.990 -0.747 19285 6406 1 17 . 1 1 30 30 ARG CA C 30 58.528 58.528 59.537 -1.009 19285 6407 1 17 . 1 1 30 30 ARG CB C 30 29.873 29.873 30.172 -0.299 19285 6408 1 17 . 1 1 30 30 ARG H H 30 7.748 7.748 7.704 0.044 19285 6409 1 17 . 1 1 31 31 LEU N N 31 119.077 119.077 118.195 0.882 19285 6410 1 17 . 1 1 31 31 LEU HA H 31 4.211 4.211 4.337 -0.126 19285 6411 1 17 . 1 1 31 31 LEU C C 31 178.573 178.573 178.714 -0.141 19285 6412 1 17 . 1 1 31 31 LEU CA C 31 56.866 56.866 56.760 0.107 19285 6413 1 17 . 1 1 31 31 LEU CB C 31 41.900 41.900 41.974 -0.074 19285 6414 1 17 . 1 1 31 31 LEU H H 31 7.614 7.614 7.912 -0.298 19285 6415 1 17 . 1 1 32 32 THR N N 32 108.038 108.038 113.755 -5.717 19285 6416 1 17 . 1 1 32 32 THR HA H 32 4.346 4.346 4.148 0.198 19285 6417 1 17 . 1 1 32 32 THR C C 32 175.796 175.796 175.600 0.196 19285 6418 1 17 . 1 1 32 32 THR CA C 32 62.532 62.532 65.170 -2.638 19285 6419 1 17 . 1 1 32 32 THR CB C 32 70.251 70.251 69.372 0.879 19285 6420 1 17 . 1 1 32 32 THR H H 32 7.652 7.652 8.310 -0.658 19285 6421 1 17 . 1 1 33 33 GLY N N 33 109.261 109.261 109.141 0.120 19285 6422 1 17 . 1 1 33 33 GLY C C 33 174.020 174.020 173.655 0.365 19285 6423 1 17 . 1 1 33 33 GLY CA C 33 45.617 45.617 44.615 1.002 19285 6424 1 17 . 1 1 33 33 GLY H H 33 7.812 7.812 7.801 0.011 19285 6425 1 17 . 1 1 34 34 GLU N N 34 120.265 120.265 120.506 -0.241 19285 6426 1 17 . 1 1 34 34 GLU HA H 34 4.264 4.264 4.546 -0.282 19285 6427 1 17 . 1 1 34 34 GLU C C 34 176.124 176.124 176.147 -0.023 19285 6428 1 17 . 1 1 34 34 GLU CA C 34 56.198 56.198 55.117 1.081 19285 6429 1 17 . 1 1 34 34 GLU CB C 34 30.221 30.221 31.213 -0.992 19285 6430 1 17 . 1 1 34 34 GLU H H 34 7.857 7.857 8.096 -0.239 19285 6431 1 17 . 1 1 35 35 GLN N N 35 122.159 122.159 122.646 -0.487 19285 6432 1 17 . 1 1 35 35 GLN HA H 35 4.319 4.319 4.438 -0.119 19285 6433 1 17 . 1 1 35 35 GLN C C 35 174.957 174.957 174.960 -0.003 19285 6434 1 17 . 1 1 35 35 GLN CA C 35 55.489 55.489 54.829 0.660 19285 6435 1 17 . 1 1 35 35 GLN CB C 35 27.772 27.772 27.287 0.485 19285 6436 1 17 . 1 1 35 35 GLN H H 35 8.683 8.683 8.577 0.106 19285 6437 1 17 . 1 1 36 36 LEU N N 36 124.703 124.703 122.299 2.404 19285 6438 1 17 . 1 1 36 36 LEU HA H 36 4.764 4.764 4.452 0.312 19285 6439 1 17 . 1 1 36 36 LEU C C 36 177.647 177.647 177.703 -0.056 19285 6440 1 17 . 1 1 36 36 LEU CA C 36 53.868 53.868 54.180 -0.312 19285 6441 1 17 . 1 1 36 36 LEU CB C 36 44.448 44.448 42.973 1.475 19285 6442 1 17 . 1 1 36 36 LEU H H 36 7.790 7.790 7.627 0.163 19285 6443 1 17 . 1 1 37 37 THR N N 37 114.475 114.475 113.030 1.445 19285 6444 1 17 . 1 1 37 37 THR HA H 37 4.485 4.485 4.455 0.030 19285 6445 1 17 . 1 1 37 37 THR C C 37 175.339 175.339 175.304 0.035 19285 6446 1 17 . 1 1 37 37 THR CA C 37 60.591 60.591 60.592 -0.001 19285 6447 1 17 . 1 1 37 37 THR CB C 37 71.227 71.227 70.757 0.470 19285 6448 1 17 . 1 1 37 37 THR H H 37 9.146 9.146 8.363 0.783 19285 6449 1 17 . 1 1 38 38 ASP N N 38 120.839 120.839 119.861 0.978 19285 6450 1 17 . 1 1 38 38 ASP HA H 38 4.255 4.255 4.377 -0.122 19285 6451 1 17 . 1 1 38 38 ASP C C 38 177.870 177.870 178.478 -0.608 19285 6452 1 17 . 1 1 38 38 ASP CA C 38 57.889 57.889 57.443 0.446 19285 6453 1 17 . 1 1 38 38 ASP CB C 38 39.895 39.895 40.388 -0.492 19285 6454 1 17 . 1 1 38 38 ASP H H 38 8.857 8.857 8.827 0.030 19285 6455 1 17 . 1 1 39 39 GLU N N 39 118.596 118.596 119.125 -0.529 19285 6456 1 17 . 1 1 39 39 GLU HA H 39 4.120 4.120 4.163 -0.043 19285 6457 1 17 . 1 1 39 39 GLU C C 39 179.052 179.052 178.441 0.611 19285 6458 1 17 . 1 1 39 39 GLU CA C 39 59.662 59.662 58.790 0.872 19285 6459 1 17 . 1 1 39 39 GLU CB C 39 28.823 28.823 29.846 -1.022 19285 6460 1 17 . 1 1 39 39 GLU H H 39 8.389 8.389 7.776 0.613 19285 6461 1 17 . 1 1 40 40 ASP N N 40 121.412 121.412 121.036 0.376 19285 6462 1 17 . 1 1 40 40 ASP HA H 40 4.460 4.460 4.527 -0.067 19285 6463 1 17 . 1 1 40 40 ASP C C 40 179.307 179.307 178.980 0.327 19285 6464 1 17 . 1 1 40 40 ASP CA C 40 57.164 57.164 57.174 -0.010 19285 6465 1 17 . 1 1 40 40 ASP CB C 40 41.229 41.229 40.649 0.580 19285 6466 1 17 . 1 1 40 40 ASP H H 40 7.768 7.768 7.878 -0.110 19285 6467 1 17 . 1 1 41 41 VAL N N 41 121.053 121.053 119.975 1.078 19285 6468 1 17 . 1 1 41 41 VAL HA H 41 3.605 3.605 3.728 -0.123 19285 6469 1 17 . 1 1 41 41 VAL C C 41 177.685 177.685 177.760 -0.075 19285 6470 1 17 . 1 1 41 41 VAL CA C 41 67.286 67.286 66.925 0.361 19285 6471 1 17 . 1 1 41 41 VAL CB C 41 31.498 31.498 31.858 -0.360 19285 6472 1 17 . 1 1 41 41 VAL H H 41 8.215 8.215 8.633 -0.418 19285 6473 1 17 . 1 1 42 42 ASP N N 42 120.507 120.507 119.728 0.779 19285 6474 1 17 . 1 1 42 42 ASP HA H 42 4.213 4.213 4.472 -0.259 19285 6475 1 17 . 1 1 42 42 ASP C C 42 179.444 179.444 178.707 0.737 19285 6476 1 17 . 1 1 42 42 ASP CA C 42 57.744 57.744 57.517 0.227 19285 6477 1 17 . 1 1 42 42 ASP CB C 42 40.082 40.082 40.253 -0.171 19285 6478 1 17 . 1 1 42 42 ASP H H 42 8.527 8.527 7.800 0.727 19285 6479 1 17 . 1 1 43 43 GLU N N 43 121.091 121.091 120.947 0.144 19285 6480 1 17 . 1 1 43 43 GLU HA H 43 4.119 4.119 4.077 0.042 19285 6481 1 17 . 1 1 43 43 GLU C C 43 178.328 178.328 178.870 -0.542 19285 6482 1 17 . 1 1 43 43 GLU CA C 43 59.264 59.264 59.491 -0.227 19285 6483 1 17 . 1 1 43 43 GLU CB C 43 29.277 29.277 29.782 -0.505 19285 6484 1 17 . 1 1 43 43 GLU H H 43 7.758 7.758 8.056 -0.298 19285 6485 1 17 . 1 1 44 44 ILE N N 44 120.248 120.248 119.160 1.088 19285 6486 1 17 . 1 1 44 44 ILE HA H 44 3.957 3.957 4.137 -0.180 19285 6487 1 17 . 1 1 44 44 ILE C C 44 179.412 179.412 178.289 1.123 19285 6488 1 17 . 1 1 44 44 ILE CA C 44 64.747 64.747 62.146 2.601 19285 6489 1 17 . 1 1 44 44 ILE CB C 44 38.919 38.919 36.805 2.114 19285 6490 1 17 . 1 1 44 44 ILE H H 44 7.934 7.934 8.063 -0.129 19285 6491 1 17 . 1 1 45 45 PHE N N 45 124.028 124.028 121.875 2.153 19285 6492 1 17 . 1 1 45 45 PHE HA H 45 3.126 3.126 3.180 -0.054 19285 6493 1 17 . 1 1 45 45 PHE C C 45 176.732 176.732 177.269 -0.537 19285 6494 1 17 . 1 1 45 45 PHE CA C 45 62.039 62.039 61.880 0.159 19285 6495 1 17 . 1 1 45 45 PHE CB C 45 38.562 38.562 38.571 -0.009 19285 6496 1 17 . 1 1 45 45 PHE H H 45 9.019 9.019 8.745 0.274 19285 6497 1 17 . 1 1 46 46 GLY N N 46 104.229 104.229 106.000 -1.771 19285 6498 1 17 . 1 1 46 46 GLY C C 46 176.365 176.365 175.150 1.215 19285 6499 1 17 . 1 1 46 46 GLY CA C 46 47.055 47.055 46.729 0.326 19285 6500 1 17 . 1 1 46 46 GLY H H 46 8.219 8.219 8.248 -0.029 19285 6501 1 17 . 1 1 47 47 ASP N N 47 119.686 119.686 120.174 -0.488 19285 6502 1 17 . 1 1 47 47 ASP HA H 47 4.343 4.343 4.442 -0.099 19285 6503 1 17 . 1 1 47 47 ASP C C 47 178.101 178.101 177.764 0.337 19285 6504 1 17 . 1 1 47 47 ASP CA C 47 56.235 56.235 56.227 0.007 19285 6505 1 17 . 1 1 47 47 ASP CB C 47 40.558 40.558 40.710 -0.152 19285 6506 1 17 . 1 1 47 47 ASP H H 47 8.106 8.106 7.677 0.429 19285 6507 1 17 . 1 1 48 48 SER N N 48 113.923 113.923 112.567 1.356 19285 6508 1 17 . 1 1 48 48 SER HA H 48 4.281 4.281 4.239 0.042 19285 6509 1 17 . 1 1 48 48 SER C C 48 173.432 173.432 174.493 -1.061 19285 6510 1 17 . 1 1 48 48 SER CA C 48 59.878 59.878 60.539 -0.662 19285 6511 1 17 . 1 1 48 48 SER CB C 48 63.709 63.709 63.549 0.160 19285 6512 1 17 . 1 1 48 48 SER H H 48 7.567 7.567 7.756 -0.189 19285 6513 1 17 . 1 1 49 49 ASP N N 49 121.595 121.595 122.256 -0.661 19285 6514 1 17 . 1 1 49 49 ASP HA H 49 4.424 4.424 4.512 -0.088 19285 6515 1 17 . 1 1 49 49 ASP C C 49 177.055 177.055 177.178 -0.123 19285 6516 1 17 . 1 1 49 49 ASP CA C 49 51.836 51.836 53.126 -1.290 19285 6517 1 17 . 1 1 49 49 ASP CB C 49 38.427 38.427 39.259 -0.832 19285 6518 1 17 . 1 1 49 49 ASP H H 49 7.323 7.323 7.476 -0.153 19285 6519 1 17 . 1 1 50 50 THR N N 50 119.204 119.204 119.725 -0.521 19285 6520 1 17 . 1 1 50 50 THR HA H 50 3.863 3.863 4.021 -0.158 19285 6521 1 17 . 1 1 50 50 THR C C 50 176.041 176.041 175.467 0.574 19285 6522 1 17 . 1 1 50 50 THR CA C 50 65.351 65.351 65.334 0.017 19285 6523 1 17 . 1 1 50 50 THR CB C 50 68.597 68.597 68.990 -0.393 19285 6524 1 17 . 1 1 50 50 THR H H 50 7.841 7.841 8.043 -0.202 19285 6525 1 17 . 1 1 51 51 ASP N N 51 117.233 117.233 118.728 -1.495 19285 6526 1 17 . 1 1 51 51 ASP HA H 51 4.607 4.607 4.702 -0.095 19285 6527 1 17 . 1 1 51 51 ASP C C 51 175.994 175.994 174.851 1.143 19285 6528 1 17 . 1 1 51 51 ASP CA C 51 52.795 52.795 54.223 -1.428 19285 6529 1 17 . 1 1 51 51 ASP CB C 51 39.098 39.098 40.752 -1.654 19285 6530 1 17 . 1 1 51 51 ASP H H 51 7.972 7.972 8.187 -0.215 19285 6531 1 17 . 1 1 52 52 LYS N N 52 113.938 113.938 116.114 -2.176 19285 6532 1 17 . 1 1 52 52 LYS HA H 52 3.961 3.961 3.997 -0.036 19285 6533 1 17 . 1 1 52 52 LYS C C 52 176.126 176.126 175.817 0.309 19285 6534 1 17 . 1 1 52 52 LYS CA C 52 56.238 56.238 57.139 -0.901 19285 6535 1 17 . 1 1 52 52 LYS CB C 52 28.711 28.711 29.583 -0.872 19285 6536 1 17 . 1 1 52 52 LYS H H 52 7.729 7.729 7.679 0.050 19285 6537 1 17 . 1 1 53 53 ASN N N 53 117.127 117.127 116.553 0.574 19285 6538 1 17 . 1 1 53 53 ASN HA H 53 4.764 4.764 4.677 0.087 19285 6539 1 17 . 1 1 53 53 ASN C C 53 177.056 177.056 175.984 1.072 19285 6540 1 17 . 1 1 53 53 ASN CA C 53 51.626 51.626 52.822 -1.196 19285 6541 1 17 . 1 1 53 53 ASN CB C 53 37.742 37.742 39.024 -1.282 19285 6542 1 17 . 1 1 53 53 ASN H H 53 8.193 8.193 8.498 -0.305 19285 6543 1 17 . 1 1 54 54 GLY N N 54 113.327 113.327 108.785 4.542 19285 6544 1 17 . 1 1 54 54 GLY C C 54 172.983 172.983 173.035 -0.052 19285 6545 1 17 . 1 1 54 54 GLY CA C 54 45.671 45.671 45.550 0.121 19285 6546 1 17 . 1 1 54 54 GLY H H 54 10.782 10.782 8.831 1.951 19285 6547 1 17 . 1 1 55 55 ARG N N 55 115.634 115.634 115.610 0.024 19285 6548 1 17 . 1 1 55 55 ARG HA H 55 4.826 4.826 4.865 -0.039 19285 6549 1 17 . 1 1 55 55 ARG C C 55 173.745 173.745 173.979 -0.234 19285 6550 1 17 . 1 1 55 55 ARG CA C 55 54.044 54.044 54.928 -0.884 19285 6551 1 17 . 1 1 55 55 ARG CB C 55 33.457 33.457 32.535 0.922 19285 6552 1 17 . 1 1 55 55 ARG H H 55 7.501 7.501 8.201 -0.700 19285 6553 1 17 . 1 1 56 56 ILE N N 56 127.446 127.446 123.162 4.284 19285 6554 1 17 . 1 1 56 56 ILE HA H 56 5.127 5.127 4.350 0.777 19285 6555 1 17 . 1 1 56 56 ILE C C 56 175.886 175.886 174.775 1.111 19285 6556 1 17 . 1 1 56 56 ILE CA C 56 58.892 58.892 60.319 -1.427 19285 6557 1 17 . 1 1 56 56 ILE CB C 56 36.907 36.907 39.558 -2.651 19285 6558 1 17 . 1 1 56 56 ILE H H 56 9.592 9.592 8.852 0.740 19285 6559 1 17 . 1 1 57 57 ASP N N 57 129.499 129.499 128.535 0.964 19285 6560 1 17 . 1 1 57 57 ASP HA H 57 5.185 5.185 4.997 0.188 19285 6561 1 17 . 1 1 57 57 ASP C C 57 175.630 175.630 176.803 -1.173 19285 6562 1 17 . 1 1 57 57 ASP CA C 57 52.329 52.329 52.902 -0.573 19285 6563 1 17 . 1 1 57 57 ASP CB C 57 42.175 42.175 41.559 0.615 19285 6564 1 17 . 1 1 57 57 ASP H H 57 9.267 9.267 8.395 0.872 19285 6565 1 17 . 1 1 58 58 PHE N N 58 118.391 118.391 119.083 -0.692 19285 6566 1 17 . 1 1 58 58 PHE HA H 58 3.761 3.761 3.816 -0.055 19285 6567 1 17 . 1 1 58 58 PHE C C 58 176.306 176.306 176.535 -0.229 19285 6568 1 17 . 1 1 58 58 PHE CA C 58 61.806 61.806 62.084 -0.278 19285 6569 1 17 . 1 1 58 58 PHE CB C 58 38.539 38.539 39.054 -0.515 19285 6570 1 17 . 1 1 58 58 PHE H H 58 8.799 8.799 9.039 -0.240 19285 6571 1 17 . 1 1 59 59 ASP N N 59 118.077 118.077 118.218 -0.141 19285 6572 1 17 . 1 1 59 59 ASP HA H 59 4.167 4.167 4.320 -0.153 19285 6573 1 17 . 1 1 59 59 ASP C C 59 179.808 179.808 179.261 0.547 19285 6574 1 17 . 1 1 59 59 ASP CA C 59 57.781 57.781 57.740 0.041 19285 6575 1 17 . 1 1 59 59 ASP CB C 59 41.399 41.399 39.983 1.416 19285 6576 1 17 . 1 1 59 59 ASP H H 59 7.930 7.930 8.561 -0.631 19285 6577 1 17 . 1 1 60 60 GLU N N 60 117.047 117.047 119.209 -2.162 19285 6578 1 17 . 1 1 60 60 GLU HA H 60 3.967 3.967 4.119 -0.152 19285 6579 1 17 . 1 1 60 60 GLU C C 60 180.287 180.287 178.654 1.633 19285 6580 1 17 . 1 1 60 60 GLU CA C 60 58.326 58.326 58.013 0.313 19285 6581 1 17 . 1 1 60 60 GLU CB C 60 29.925 29.925 29.282 0.643 19285 6582 1 17 . 1 1 60 60 GLU H H 60 7.331 7.331 8.911 -1.580 19285 6583 1 17 . 1 1 61 61 PHE N N 61 124.075 124.075 122.602 1.473 19285 6584 1 17 . 1 1 61 61 PHE HA H 61 4.155 4.155 4.195 -0.040 19285 6585 1 17 . 1 1 61 61 PHE C C 61 176.012 176.012 177.198 -1.186 19285 6586 1 17 . 1 1 61 61 PHE CA C 61 61.100 61.100 61.687 -0.587 19285 6587 1 17 . 1 1 61 61 PHE CB C 61 39.493 39.493 39.188 0.305 19285 6588 1 17 . 1 1 61 61 PHE H H 61 9.079 9.079 8.461 0.618 19285 6589 1 17 . 1 1 62 62 LEU N N 62 119.964 119.964 119.033 0.931 19285 6590 1 17 . 1 1 62 62 LEU HA H 62 3.501 3.501 3.684 -0.183 19285 6591 1 17 . 1 1 62 62 LEU C C 62 179.855 179.855 178.676 1.179 19285 6592 1 17 . 1 1 62 62 LEU CA C 62 58.109 58.109 57.917 0.192 19285 6593 1 17 . 1 1 62 62 LEU CB C 62 40.495 40.495 40.907 -0.412 19285 6594 1 17 . 1 1 62 62 LEU H H 62 8.416 8.416 8.209 0.207 19285 6595 1 17 . 1 1 63 63 LYS N N 63 121.221 121.221 118.113 3.108 19285 6596 1 17 . 1 1 63 63 LYS HA H 63 4.060 4.060 3.974 0.086 19285 6597 1 17 . 1 1 63 63 LYS C C 63 178.875 178.875 178.953 -0.078 19285 6598 1 17 . 1 1 63 63 LYS CA C 63 58.288 58.288 59.036 -0.749 19285 6599 1 17 . 1 1 63 63 LYS CB C 63 31.683 31.683 32.359 -0.676 19285 6600 1 17 . 1 1 63 63 LYS H H 63 8.804 8.804 7.216 1.588 19285 6601 1 17 . 1 1 64 64 MET N N 64 119.896 119.896 119.640 0.256 19285 6602 1 17 . 1 1 64 64 MET HA H 64 4.108 4.108 4.156 -0.048 19285 6603 1 17 . 1 1 64 64 MET C C 64 178.427 178.427 178.016 0.411 19285 6604 1 17 . 1 1 64 64 MET CA C 64 58.374 58.374 57.731 0.643 19285 6605 1 17 . 1 1 64 64 MET CB C 64 32.200 32.200 32.521 -0.321 19285 6606 1 17 . 1 1 64 64 MET H H 64 7.895 7.895 7.951 -0.056 19285 6607 1 17 . 1 1 65 65 MET N N 65 116.299 116.299 117.218 -0.919 19285 6608 1 17 . 1 1 65 65 MET HA H 65 4.337 4.337 3.995 0.342 19285 6609 1 17 . 1 1 65 65 MET C C 65 178.184 178.184 177.905 0.279 19285 6610 1 17 . 1 1 65 65 MET CA C 65 55.118 55.118 56.254 -1.136 19285 6611 1 17 . 1 1 65 65 MET CB C 65 30.790 30.790 30.303 0.487 19285 6612 1 17 . 1 1 65 65 MET H H 65 7.859 7.859 8.318 -0.459 19285 6613 1 17 . 1 1 66 66 GLU N N 66 119.624 119.624 120.748 -1.124 19285 6614 1 17 . 1 1 66 66 GLU HA H 66 4.091 4.091 3.939 0.152 19285 6615 1 17 . 1 1 66 66 GLU C C 66 177.017 177.017 178.366 -1.349 19285 6616 1 17 . 1 1 66 66 GLU CA C 66 58.092 58.092 59.179 -1.087 19285 6617 1 17 . 1 1 66 66 GLU CB C 66 29.619 29.619 29.410 0.209 19285 6618 1 17 . 1 1 66 66 GLU H H 66 7.568 7.568 7.786 -0.218 19285 6619 1 17 . 1 1 67 67 ASN N N 67 116.153 116.153 115.929 0.224 19285 6620 1 17 . 1 1 67 67 ASN HA H 67 4.776 4.776 4.594 0.182 19285 6621 1 17 . 1 1 67 67 ASN C C 67 175.231 175.231 176.925 -1.694 19285 6622 1 17 . 1 1 67 67 ASN CA C 67 53.440 53.440 54.615 -1.175 19285 6623 1 17 . 1 1 67 67 ASN CB C 67 39.284 39.284 38.905 0.379 19285 6624 1 17 . 1 1 67 67 ASN H H 67 7.819 7.819 7.798 0.021 19285 6625 1 17 . 1 1 68 68 VAL N N 68 119.217 119.217 119.905 -0.688 19285 6626 1 17 . 1 1 68 68 VAL HA H 68 4.147 4.147 3.723 0.424 19285 6627 1 17 . 1 1 68 68 VAL C C 68 175.101 175.101 176.699 -1.598 19285 6628 1 17 . 1 1 68 68 VAL CA C 68 62.576 62.576 65.259 -2.683 19285 6629 1 17 . 1 1 68 68 VAL CB C 68 32.250 32.250 32.029 0.221 19285 6630 1 17 . 1 1 68 68 VAL H H 68 7.641 7.641 7.237 0.404 19285 6631 1 18 . 1 1 2 2 GLU N N 2 122.304 122.304 122.438 -0.134 19285 6632 1 18 . 1 1 2 2 GLU HA H 2 4.059 4.059 4.115 -0.056 19285 6633 1 18 . 1 1 2 2 GLU C C 2 178.560 178.560 178.216 0.344 19285 6634 1 18 . 1 1 2 2 GLU CA C 2 59.898 59.898 59.024 0.874 19285 6635 1 18 . 1 1 2 2 GLU CB C 2 29.215 29.215 29.547 -0.332 19285 6636 1 18 . 1 1 2 2 GLU H H 2 8.881 8.881 8.718 0.163 19285 6637 1 18 . 1 1 3 3 GLU N N 3 120.033 120.033 119.378 0.655 19285 6638 1 18 . 1 1 3 3 GLU HA H 3 4.155 4.155 4.100 0.055 19285 6639 1 18 . 1 1 3 3 GLU C C 3 179.048 179.048 178.926 0.122 19285 6640 1 18 . 1 1 3 3 GLU CA C 3 59.270 59.270 59.521 -0.251 19285 6641 1 18 . 1 1 3 3 GLU CB C 3 29.343 29.343 29.365 -0.022 19285 6642 1 18 . 1 1 3 3 GLU H H 3 8.528 8.528 8.842 -0.314 19285 6643 1 18 . 1 1 4 4 GLU N N 4 120.958 120.958 119.098 1.860 19285 6644 1 18 . 1 1 4 4 GLU HA H 4 4.176 4.176 4.207 -0.031 19285 6645 1 18 . 1 1 4 4 GLU C C 4 179.840 179.840 179.203 0.637 19285 6646 1 18 . 1 1 4 4 GLU CA C 4 58.953 58.953 58.675 0.278 19285 6647 1 18 . 1 1 4 4 GLU CB C 4 29.586 29.586 29.822 -0.235 19285 6648 1 18 . 1 1 4 4 GLU H H 4 8.101 8.101 7.696 0.405 19285 6649 1 18 . 1 1 5 5 LEU N N 5 120.900 120.900 120.172 0.728 19285 6650 1 18 . 1 1 5 5 LEU HA H 5 4.395 4.395 4.324 0.071 19285 6651 1 18 . 1 1 5 5 LEU C C 5 179.432 179.432 178.923 0.509 19285 6652 1 18 . 1 1 5 5 LEU CA C 5 57.940 57.940 57.423 0.517 19285 6653 1 18 . 1 1 5 5 LEU CB C 5 41.647 41.647 41.694 -0.047 19285 6654 1 18 . 1 1 5 5 LEU H H 5 8.570 8.570 8.287 0.283 19285 6655 1 18 . 1 1 6 6 SER N N 6 116.354 116.354 115.969 0.385 19285 6656 1 18 . 1 1 6 6 SER HA H 6 4.261 4.261 4.355 -0.094 19285 6657 1 18 . 1 1 6 6 SER C C 6 176.745 176.745 176.850 -0.105 19285 6658 1 18 . 1 1 6 6 SER CA C 6 61.992 61.992 62.040 -0.048 19285 6659 1 18 . 1 1 6 6 SER CB C 6 62.341 62.341 63.021 -0.680 19285 6660 1 18 . 1 1 6 6 SER H H 6 8.604 8.604 8.489 0.115 19285 6661 1 18 . 1 1 7 7 GLU N N 7 122.072 122.072 121.842 0.230 19285 6662 1 18 . 1 1 7 7 GLU HA H 7 4.190 4.190 4.152 0.038 19285 6663 1 18 . 1 1 7 7 GLU C C 7 178.189 178.189 179.093 -0.904 19285 6664 1 18 . 1 1 7 7 GLU CA C 7 58.831 58.831 59.269 -0.438 19285 6665 1 18 . 1 1 7 7 GLU CB C 7 28.965 28.965 29.607 -0.642 19285 6666 1 18 . 1 1 7 7 GLU H H 7 7.720 7.720 7.656 0.064 19285 6667 1 18 . 1 1 8 8 CYS N N 8 117.904 117.904 118.591 -0.687 19285 6668 1 18 . 1 1 8 8 CYS HA H 8 4.053 4.053 4.137 -0.084 19285 6669 1 18 . 1 1 8 8 CYS C C 8 175.681 175.681 176.991 -1.310 19285 6670 1 18 . 1 1 8 8 CYS CA C 8 62.437 62.437 63.968 -1.531 19285 6671 1 18 . 1 1 8 8 CYS CB C 8 26.416 26.416 26.932 -0.516 19285 6672 1 18 . 1 1 8 8 CYS H H 8 8.019 8.019 8.109 -0.090 19285 6673 1 18 . 1 1 9 9 PHE N N 9 119.590 119.590 121.343 -1.753 19285 6674 1 18 . 1 1 9 9 PHE HA H 9 3.351 3.351 3.346 0.005 19285 6675 1 18 . 1 1 9 9 PHE C C 9 175.681 175.681 176.985 -1.304 19285 6676 1 18 . 1 1 9 9 PHE CA C 9 62.181 62.181 62.057 0.124 19285 6677 1 18 . 1 1 9 9 PHE CB C 9 39.277 39.277 38.604 0.673 19285 6678 1 18 . 1 1 9 9 PHE H H 9 8.427 8.427 8.579 -0.152 19285 6679 1 18 . 1 1 10 10 ARG N N 10 114.910 114.910 117.545 -2.635 19285 6680 1 18 . 1 1 10 10 ARG HA H 10 3.953 3.953 3.862 0.091 19285 6681 1 18 . 1 1 10 10 ARG C C 10 178.486 178.486 178.231 0.255 19285 6682 1 18 . 1 1 10 10 ARG CA C 10 58.967 58.967 59.169 -0.202 19285 6683 1 18 . 1 1 10 10 ARG CB C 10 29.948 29.948 30.194 -0.246 19285 6684 1 18 . 1 1 10 10 ARG H H 10 7.558 7.558 7.479 0.079 19285 6685 1 18 . 1 1 11 11 ILE N N 11 118.349 118.349 118.573 -0.224 19285 6686 1 18 . 1 1 11 11 ILE HA H 11 3.582 3.582 3.649 -0.067 19285 6687 1 18 . 1 1 11 11 ILE C C 11 178.112 178.112 177.342 0.770 19285 6688 1 18 . 1 1 11 11 ILE CA C 11 63.622 63.622 64.362 -0.740 19285 6689 1 18 . 1 1 11 11 ILE CB C 11 37.340 37.340 37.966 -0.626 19285 6690 1 18 . 1 1 11 11 ILE H H 11 7.592 7.592 7.538 0.054 19285 6691 1 18 . 1 1 12 12 PHE N N 12 116.960 116.960 115.492 1.468 19285 6692 1 18 . 1 1 12 12 PHE HA H 12 4.477 4.477 4.374 0.103 19285 6693 1 18 . 1 1 12 12 PHE C C 12 176.714 176.714 176.534 0.180 19285 6694 1 18 . 1 1 12 12 PHE CA C 12 58.669 58.669 59.434 -0.765 19285 6695 1 18 . 1 1 12 12 PHE CB C 12 39.165 39.165 39.435 -0.270 19285 6696 1 18 . 1 1 12 12 PHE H H 12 7.554 7.554 8.002 -0.448 19285 6697 1 18 . 1 1 13 13 ASP N N 13 119.667 119.667 119.363 0.304 19285 6698 1 18 . 1 1 13 13 ASP HA H 13 4.474 4.474 4.586 -0.112 19285 6699 1 18 . 1 1 13 13 ASP C C 13 176.772 176.772 176.210 0.562 19285 6700 1 18 . 1 1 13 13 ASP CA C 13 52.106 52.106 52.620 -0.514 19285 6701 1 18 . 1 1 13 13 ASP CB C 13 37.794 37.794 38.829 -1.035 19285 6702 1 18 . 1 1 13 13 ASP H H 13 7.725 7.725 7.900 -0.175 19285 6703 1 18 . 1 1 14 14 LYS N N 14 125.111 125.111 122.173 2.938 19285 6704 1 18 . 1 1 14 14 LYS HA H 14 3.933 3.933 3.996 -0.063 19285 6705 1 18 . 1 1 14 14 LYS C C 14 178.180 178.180 177.968 0.212 19285 6706 1 18 . 1 1 14 14 LYS CA C 14 59.277 59.277 58.563 0.714 19285 6707 1 18 . 1 1 14 14 LYS CB C 14 32.988 32.988 32.497 0.491 19285 6708 1 18 . 1 1 14 14 LYS H H 14 7.577 7.577 7.867 -0.290 19285 6709 1 18 . 1 1 15 15 ASP N N 15 114.010 114.010 116.987 -2.977 19285 6710 1 18 . 1 1 15 15 ASP HA H 15 4.588 4.588 4.511 0.077 19285 6711 1 18 . 1 1 15 15 ASP C C 15 177.680 177.680 177.229 0.451 19285 6712 1 18 . 1 1 15 15 ASP CA C 15 52.565 52.565 54.880 -2.315 19285 6713 1 18 . 1 1 15 15 ASP CB C 15 39.322 39.322 41.058 -1.736 19285 6714 1 18 . 1 1 15 15 ASP H H 15 8.032 8.032 8.111 -0.079 19285 6715 1 18 . 1 1 16 16 GLY N N 16 109.187 109.187 106.454 2.733 19285 6716 1 18 . 1 1 16 16 GLY C C 16 175.043 175.043 175.155 -0.112 19285 6717 1 18 . 1 1 16 16 GLY CA C 16 47.001 47.001 45.168 1.833 19285 6718 1 18 . 1 1 16 16 GLY H H 16 7.713 7.713 8.301 -0.588 19285 6719 1 18 . 1 1 17 17 ASN N N 17 118.569 118.569 119.159 -0.590 19285 6720 1 18 . 1 1 17 17 ASN HA H 17 4.600 4.600 4.729 -0.129 19285 6721 1 18 . 1 1 17 17 ASN C C 17 176.026 176.026 176.787 -0.761 19285 6722 1 18 . 1 1 17 17 ASN CA C 17 52.265 52.265 53.699 -1.434 19285 6723 1 18 . 1 1 17 17 ASN CB C 17 37.340 37.340 39.175 -1.835 19285 6724 1 18 . 1 1 17 17 ASN H H 17 8.118 8.118 8.493 -0.375 19285 6725 1 18 . 1 1 18 18 GLY N N 18 112.477 112.477 106.986 5.491 19285 6726 1 18 . 1 1 18 18 GLY C C 18 172.479 172.479 172.868 -0.389 19285 6727 1 18 . 1 1 18 18 GLY CA C 18 45.110 45.110 45.465 -0.354 19285 6728 1 18 . 1 1 18 18 GLY H H 18 10.596 10.596 8.929 1.667 19285 6729 1 18 . 1 1 19 19 PHE N N 19 113.792 113.792 118.165 -4.373 19285 6730 1 18 . 1 1 19 19 PHE HA H 19 5.291 5.291 5.483 -0.192 19285 6731 1 18 . 1 1 19 19 PHE C C 19 173.646 173.646 175.118 -1.472 19285 6732 1 18 . 1 1 19 19 PHE CA C 19 55.516 55.516 56.316 -0.800 19285 6733 1 18 . 1 1 19 19 PHE CB C 19 43.196 43.196 42.831 0.365 19285 6734 1 18 . 1 1 19 19 PHE H H 19 7.500 7.500 7.431 0.069 19285 6735 1 18 . 1 1 20 20 ILE N N 20 126.629 126.629 124.456 2.173 19285 6736 1 18 . 1 1 20 20 ILE HA H 20 5.051 5.051 4.537 0.514 19285 6737 1 18 . 1 1 20 20 ILE C C 20 175.764 175.764 175.078 0.686 19285 6738 1 18 . 1 1 20 20 ILE CA C 20 58.933 58.933 59.307 -0.374 19285 6739 1 18 . 1 1 20 20 ILE CB C 20 37.846 37.846 37.578 0.268 19285 6740 1 18 . 1 1 20 20 ILE H H 20 9.988 9.988 9.252 0.736 19285 6741 1 18 . 1 1 21 21 ASP N N 21 129.797 129.797 127.528 2.269 19285 6742 1 18 . 1 1 21 21 ASP HA H 21 5.124 5.124 5.285 -0.161 19285 6743 1 18 . 1 1 21 21 ASP C C 21 175.686 175.686 177.685 -1.999 19285 6744 1 18 . 1 1 21 21 ASP CA C 21 52.214 52.214 52.673 -0.459 19285 6745 1 18 . 1 1 21 21 ASP CB C 21 41.907 41.907 42.086 -0.179 19285 6746 1 18 . 1 1 21 21 ASP H H 21 9.322 9.322 8.674 0.648 19285 6747 1 18 . 1 1 22 22 ARG N N 22 118.041 118.041 119.619 -1.578 19285 6748 1 18 . 1 1 22 22 ARG HA H 22 3.359 3.359 3.680 -0.321 19285 6749 1 18 . 1 1 22 22 ARG C C 22 178.803 178.803 178.488 0.315 19285 6750 1 18 . 1 1 22 22 ARG CA C 22 58.193 58.193 60.691 -2.498 19285 6751 1 18 . 1 1 22 22 ARG CB C 22 28.264 28.264 29.837 -1.573 19285 6752 1 18 . 1 1 22 22 ARG H H 22 8.564 8.564 8.788 -0.224 19285 6753 1 18 . 1 1 23 23 GLU N N 23 122.771 122.771 118.728 4.043 19285 6754 1 18 . 1 1 23 23 GLU HA H 23 4.108 4.108 4.049 0.059 19285 6755 1 18 . 1 1 23 23 GLU C C 23 180.100 180.100 178.700 1.400 19285 6756 1 18 . 1 1 23 23 GLU CA C 23 59.392 59.392 59.747 -0.355 19285 6757 1 18 . 1 1 23 23 GLU CB C 23 28.950 28.950 29.107 -0.157 19285 6758 1 18 . 1 1 23 23 GLU H H 23 8.309 8.309 8.437 -0.128 19285 6759 1 18 . 1 1 24 24 GLU N N 24 122.272 122.272 119.099 3.173 19285 6760 1 18 . 1 1 24 24 GLU HA H 24 4.179 4.179 4.234 -0.055 19285 6761 1 18 . 1 1 24 24 GLU C C 24 179.466 179.466 178.877 0.589 19285 6762 1 18 . 1 1 24 24 GLU CA C 24 58.237 58.237 58.299 -0.062 19285 6763 1 18 . 1 1 24 24 GLU CB C 24 30.455 30.455 29.475 0.980 19285 6764 1 18 . 1 1 24 24 GLU H H 24 9.062 9.062 8.958 0.104 19285 6765 1 18 . 1 1 25 25 PHE N N 25 118.985 118.985 121.458 -2.473 19285 6766 1 18 . 1 1 25 25 PHE HA H 25 4.050 4.050 4.250 -0.200 19285 6767 1 18 . 1 1 25 25 PHE C C 25 176.876 176.876 177.171 -0.295 19285 6768 1 18 . 1 1 25 25 PHE CA C 25 60.766 60.766 61.047 -0.281 19285 6769 1 18 . 1 1 25 25 PHE CB C 25 40.514 40.514 38.897 1.617 19285 6770 1 18 . 1 1 25 25 PHE H H 25 8.931 8.931 8.782 0.149 19285 6771 1 18 . 1 1 26 26 GLY N N 26 103.509 103.509 106.408 -2.899 19285 6772 1 18 . 1 1 26 26 GLY C C 26 175.475 175.475 175.724 -0.249 19285 6773 1 18 . 1 1 26 26 GLY CA C 26 47.163 47.163 47.214 -0.051 19285 6774 1 18 . 1 1 26 26 GLY H H 26 7.891 7.891 8.411 -0.520 19285 6775 1 18 . 1 1 27 27 ASP N N 27 119.470 119.470 122.765 -3.295 19285 6776 1 18 . 1 1 27 27 ASP HA H 27 4.545 4.545 4.436 0.109 19285 6777 1 18 . 1 1 27 27 ASP C C 27 177.555 177.555 178.676 -1.121 19285 6778 1 18 . 1 1 27 27 ASP CA C 27 56.657 56.657 56.955 -0.297 19285 6779 1 18 . 1 1 27 27 ASP CB C 27 40.521 40.521 40.505 0.015 19285 6780 1 18 . 1 1 27 27 ASP H H 27 7.492 7.492 7.480 0.012 19285 6781 1 18 . 1 1 28 28 ILE N N 28 119.005 119.005 120.580 -1.575 19285 6782 1 18 . 1 1 28 28 ILE HA H 28 3.222 3.222 3.448 -0.226 19285 6783 1 18 . 1 1 28 28 ILE C C 28 178.112 178.112 177.759 0.353 19285 6784 1 18 . 1 1 28 28 ILE CA C 28 63.693 63.693 65.093 -1.400 19285 6785 1 18 . 1 1 28 28 ILE CB C 28 36.967 36.967 37.531 -0.564 19285 6786 1 18 . 1 1 28 28 ILE H H 28 7.290 7.290 8.017 -0.727 19285 6787 1 18 . 1 1 29 29 ILE N N 29 118.036 118.036 120.567 -2.531 19285 6788 1 18 . 1 1 29 29 ILE HA H 29 3.792 3.792 3.481 0.311 19285 6789 1 18 . 1 1 29 29 ILE C C 29 178.396 178.396 178.363 0.033 19285 6790 1 18 . 1 1 29 29 ILE CA C 29 61.114 61.114 65.431 -4.317 19285 6791 1 18 . 1 1 29 29 ILE CB C 29 36.103 36.103 37.399 -1.296 19285 6792 1 18 . 1 1 29 29 ILE H H 29 7.217 7.217 7.481 -0.264 19285 6793 1 18 . 1 1 30 30 ARG N N 30 120.280 120.280 118.547 1.733 19285 6794 1 18 . 1 1 30 30 ARG HA H 30 4.165 4.165 4.053 0.112 19285 6795 1 18 . 1 1 30 30 ARG C C 30 178.243 178.243 179.245 -1.002 19285 6796 1 18 . 1 1 30 30 ARG CA C 30 58.528 58.528 59.075 -0.547 19285 6797 1 18 . 1 1 30 30 ARG CB C 30 29.873 29.873 30.241 -0.369 19285 6798 1 18 . 1 1 30 30 ARG H H 30 7.748 7.748 7.347 0.401 19285 6799 1 18 . 1 1 31 31 LEU N N 31 119.077 119.077 119.599 -0.522 19285 6800 1 18 . 1 1 31 31 LEU HA H 31 4.211 4.211 4.208 0.003 19285 6801 1 18 . 1 1 31 31 LEU C C 31 178.573 178.573 178.746 -0.173 19285 6802 1 18 . 1 1 31 31 LEU CA C 31 56.866 56.866 57.371 -0.505 19285 6803 1 18 . 1 1 31 31 LEU CB C 31 41.900 41.900 42.321 -0.421 19285 6804 1 18 . 1 1 31 31 LEU H H 31 7.614 7.614 8.085 -0.471 19285 6805 1 18 . 1 1 32 32 THR N N 32 108.038 108.038 108.365 -0.327 19285 6806 1 18 . 1 1 32 32 THR HA H 32 4.346 4.346 4.368 -0.022 19285 6807 1 18 . 1 1 32 32 THR C C 32 175.796 175.796 176.082 -0.286 19285 6808 1 18 . 1 1 32 32 THR CA C 32 62.532 62.532 62.420 0.112 19285 6809 1 18 . 1 1 32 32 THR CB C 32 70.251 70.251 69.846 0.405 19285 6810 1 18 . 1 1 32 32 THR H H 32 7.652 7.652 7.940 -0.288 19285 6811 1 18 . 1 1 33 33 GLY N N 33 109.261 109.261 111.225 -1.964 19285 6812 1 18 . 1 1 33 33 GLY C C 33 174.020 174.020 174.581 -0.561 19285 6813 1 18 . 1 1 33 33 GLY CA C 33 45.617 45.617 45.524 0.093 19285 6814 1 18 . 1 1 33 33 GLY H H 33 7.812 7.812 7.871 -0.059 19285 6815 1 18 . 1 1 34 34 GLU N N 34 120.265 120.265 119.994 0.271 19285 6816 1 18 . 1 1 34 34 GLU HA H 34 4.264 4.264 4.487 -0.223 19285 6817 1 18 . 1 1 34 34 GLU C C 34 176.124 176.124 176.316 -0.192 19285 6818 1 18 . 1 1 34 34 GLU CA C 34 56.198 56.198 55.067 1.131 19285 6819 1 18 . 1 1 34 34 GLU CB C 34 30.221 30.221 30.773 -0.552 19285 6820 1 18 . 1 1 34 34 GLU H H 34 7.857 7.857 8.083 -0.226 19285 6821 1 18 . 1 1 35 35 GLN N N 35 122.159 122.159 121.612 0.547 19285 6822 1 18 . 1 1 35 35 GLN HA H 35 4.319 4.319 4.528 -0.209 19285 6823 1 18 . 1 1 35 35 GLN C C 35 174.957 174.957 175.195 -0.238 19285 6824 1 18 . 1 1 35 35 GLN CA C 35 55.489 55.489 55.026 0.463 19285 6825 1 18 . 1 1 35 35 GLN CB C 35 27.772 27.772 28.333 -0.561 19285 6826 1 18 . 1 1 35 35 GLN H H 35 8.683 8.683 8.484 0.199 19285 6827 1 18 . 1 1 36 36 LEU N N 36 124.703 124.703 125.567 -0.864 19285 6828 1 18 . 1 1 36 36 LEU HA H 36 4.764 4.764 4.789 -0.025 19285 6829 1 18 . 1 1 36 36 LEU C C 36 177.647 177.647 177.246 0.401 19285 6830 1 18 . 1 1 36 36 LEU CA C 36 53.868 53.868 53.601 0.267 19285 6831 1 18 . 1 1 36 36 LEU CB C 36 44.448 44.448 44.586 -0.138 19285 6832 1 18 . 1 1 36 36 LEU H H 36 7.790 7.790 8.292 -0.502 19285 6833 1 18 . 1 1 37 37 THR N N 37 114.475 114.475 113.311 1.164 19285 6834 1 18 . 1 1 37 37 THR HA H 37 4.485 4.485 4.507 -0.022 19285 6835 1 18 . 1 1 37 37 THR C C 37 175.339 175.339 175.151 0.188 19285 6836 1 18 . 1 1 37 37 THR CA C 37 60.591 60.591 60.522 0.069 19285 6837 1 18 . 1 1 37 37 THR CB C 37 71.227 71.227 70.955 0.272 19285 6838 1 18 . 1 1 37 37 THR H H 37 9.146 9.146 8.978 0.168 19285 6839 1 18 . 1 1 38 38 ASP N N 38 120.839 120.839 119.449 1.390 19285 6840 1 18 . 1 1 38 38 ASP HA H 38 4.255 4.255 4.411 -0.156 19285 6841 1 18 . 1 1 38 38 ASP C C 38 177.870 177.870 178.251 -0.381 19285 6842 1 18 . 1 1 38 38 ASP CA C 38 57.889 57.889 57.121 0.768 19285 6843 1 18 . 1 1 38 38 ASP CB C 38 39.895 39.895 40.428 -0.534 19285 6844 1 18 . 1 1 38 38 ASP H H 38 8.857 8.857 8.806 0.051 19285 6845 1 18 . 1 1 39 39 GLU N N 39 118.596 118.596 119.200 -0.604 19285 6846 1 18 . 1 1 39 39 GLU HA H 39 4.120 4.120 4.165 -0.045 19285 6847 1 18 . 1 1 39 39 GLU C C 39 179.052 179.052 178.264 0.788 19285 6848 1 18 . 1 1 39 39 GLU CA C 39 59.662 59.662 58.657 1.005 19285 6849 1 18 . 1 1 39 39 GLU CB C 39 28.823 28.823 29.896 -1.073 19285 6850 1 18 . 1 1 39 39 GLU H H 39 8.389 8.389 7.691 0.698 19285 6851 1 18 . 1 1 40 40 ASP N N 40 121.412 121.412 120.607 0.805 19285 6852 1 18 . 1 1 40 40 ASP HA H 40 4.460 4.460 4.450 0.010 19285 6853 1 18 . 1 1 40 40 ASP C C 40 179.307 179.307 178.945 0.362 19285 6854 1 18 . 1 1 40 40 ASP CA C 40 57.164 57.164 57.477 -0.313 19285 6855 1 18 . 1 1 40 40 ASP CB C 40 41.229 41.229 40.754 0.475 19285 6856 1 18 . 1 1 40 40 ASP H H 40 7.768 7.768 7.946 -0.178 19285 6857 1 18 . 1 1 41 41 VAL N N 41 121.053 121.053 114.909 6.144 19285 6858 1 18 . 1 1 41 41 VAL HA H 41 3.605 3.605 4.074 -0.469 19285 6859 1 18 . 1 1 41 41 VAL C C 41 177.685 177.685 177.736 -0.051 19285 6860 1 18 . 1 1 41 41 VAL CA C 41 67.286 67.286 66.107 1.179 19285 6861 1 18 . 1 1 41 41 VAL CB C 41 31.498 31.498 31.763 -0.265 19285 6862 1 18 . 1 1 41 41 VAL H H 41 8.215 8.215 7.951 0.264 19285 6863 1 18 . 1 1 42 42 ASP N N 42 120.507 120.507 121.678 -1.171 19285 6864 1 18 . 1 1 42 42 ASP HA H 42 4.213 4.213 4.588 -0.375 19285 6865 1 18 . 1 1 42 42 ASP C C 42 179.444 179.444 178.839 0.605 19285 6866 1 18 . 1 1 42 42 ASP CA C 42 57.744 57.744 57.378 0.366 19285 6867 1 18 . 1 1 42 42 ASP CB C 42 40.082 40.082 40.476 -0.394 19285 6868 1 18 . 1 1 42 42 ASP H H 42 8.527 8.527 7.830 0.697 19285 6869 1 18 . 1 1 43 43 GLU N N 43 121.091 121.091 121.023 0.068 19285 6870 1 18 . 1 1 43 43 GLU HA H 43 4.119 4.119 4.102 0.017 19285 6871 1 18 . 1 1 43 43 GLU C C 43 178.328 178.328 179.140 -0.812 19285 6872 1 18 . 1 1 43 43 GLU CA C 43 59.264 59.264 59.536 -0.272 19285 6873 1 18 . 1 1 43 43 GLU CB C 43 29.277 29.277 29.866 -0.589 19285 6874 1 18 . 1 1 43 43 GLU H H 43 7.758 7.758 8.001 -0.243 19285 6875 1 18 . 1 1 44 44 ILE N N 44 120.248 120.248 120.261 -0.013 19285 6876 1 18 . 1 1 44 44 ILE HA H 44 3.957 3.957 3.739 0.218 19285 6877 1 18 . 1 1 44 44 ILE C C 44 179.412 179.412 177.653 1.759 19285 6878 1 18 . 1 1 44 44 ILE CA C 44 64.747 64.747 65.431 -0.684 19285 6879 1 18 . 1 1 44 44 ILE CB C 44 38.919 38.919 38.247 0.672 19285 6880 1 18 . 1 1 44 44 ILE H H 44 7.934 7.934 8.231 -0.297 19285 6881 1 18 . 1 1 45 45 PHE N N 45 124.028 124.028 119.739 4.289 19285 6882 1 18 . 1 1 45 45 PHE HA H 45 3.126 3.126 3.667 -0.541 19285 6883 1 18 . 1 1 45 45 PHE C C 45 176.732 176.732 177.383 -0.651 19285 6884 1 18 . 1 1 45 45 PHE CA C 45 62.039 62.039 61.685 0.354 19285 6885 1 18 . 1 1 45 45 PHE CB C 45 38.562 38.562 38.602 -0.041 19285 6886 1 18 . 1 1 45 45 PHE H H 45 9.019 9.019 7.976 1.043 19285 6887 1 18 . 1 1 46 46 GLY N N 46 104.229 104.229 107.000 -2.771 19285 6888 1 18 . 1 1 46 46 GLY C C 46 176.365 176.365 175.282 1.083 19285 6889 1 18 . 1 1 46 46 GLY CA C 46 47.055 47.055 46.938 0.117 19285 6890 1 18 . 1 1 46 46 GLY H H 46 8.219 8.219 8.066 0.153 19285 6891 1 18 . 1 1 47 47 ASP N N 47 119.686 119.686 121.148 -1.462 19285 6892 1 18 . 1 1 47 47 ASP HA H 47 4.343 4.343 4.435 -0.092 19285 6893 1 18 . 1 1 47 47 ASP C C 47 178.101 178.101 178.991 -0.890 19285 6894 1 18 . 1 1 47 47 ASP CA C 47 56.235 56.235 56.363 -0.128 19285 6895 1 18 . 1 1 47 47 ASP CB C 47 40.558 40.558 40.700 -0.142 19285 6896 1 18 . 1 1 47 47 ASP H H 47 8.106 8.106 8.064 0.042 19285 6897 1 18 . 1 1 48 48 SER N N 48 113.923 113.923 115.161 -1.238 19285 6898 1 18 . 1 1 48 48 SER HA H 48 4.281 4.281 4.138 0.143 19285 6899 1 18 . 1 1 48 48 SER C C 48 173.432 173.432 174.728 -1.296 19285 6900 1 18 . 1 1 48 48 SER CA C 48 59.878 59.878 61.336 -1.458 19285 6901 1 18 . 1 1 48 48 SER CB C 48 63.709 63.709 63.236 0.472 19285 6902 1 18 . 1 1 48 48 SER H H 48 7.567 7.567 7.975 -0.408 19285 6903 1 18 . 1 1 49 49 ASP N N 49 121.595 121.595 120.839 0.756 19285 6904 1 18 . 1 1 49 49 ASP HA H 49 4.424 4.424 4.475 -0.051 19285 6905 1 18 . 1 1 49 49 ASP C C 49 177.055 177.055 176.663 0.392 19285 6906 1 18 . 1 1 49 49 ASP CA C 49 51.836 51.836 53.298 -1.462 19285 6907 1 18 . 1 1 49 49 ASP CB C 49 38.427 38.427 39.556 -1.129 19285 6908 1 18 . 1 1 49 49 ASP H H 49 7.323 7.323 7.534 -0.211 19285 6909 1 18 . 1 1 50 50 THR N N 50 119.204 119.204 115.529 3.675 19285 6910 1 18 . 1 1 50 50 THR HA H 50 3.863 3.863 4.248 -0.385 19285 6911 1 18 . 1 1 50 50 THR C C 50 176.041 176.041 175.911 0.130 19285 6912 1 18 . 1 1 50 50 THR CA C 50 65.351 65.351 63.749 1.602 19285 6913 1 18 . 1 1 50 50 THR CB C 50 68.597 68.597 69.267 -0.670 19285 6914 1 18 . 1 1 50 50 THR H H 50 7.841 7.841 8.293 -0.452 19285 6915 1 18 . 1 1 51 51 ASP N N 51 117.233 117.233 121.202 -3.969 19285 6916 1 18 . 1 1 51 51 ASP HA H 51 4.607 4.607 4.673 -0.066 19285 6917 1 18 . 1 1 51 51 ASP C C 51 175.994 175.994 175.365 0.629 19285 6918 1 18 . 1 1 51 51 ASP CA C 51 52.795 52.795 54.771 -1.976 19285 6919 1 18 . 1 1 51 51 ASP CB C 51 39.098 39.098 40.814 -1.716 19285 6920 1 18 . 1 1 51 51 ASP H H 51 7.972 7.972 8.317 -0.345 19285 6921 1 18 . 1 1 52 52 LYS N N 52 113.938 113.938 115.812 -1.874 19285 6922 1 18 . 1 1 52 52 LYS HA H 52 3.961 3.961 4.112 -0.151 19285 6923 1 18 . 1 1 52 52 LYS C C 52 176.126 176.126 175.569 0.557 19285 6924 1 18 . 1 1 52 52 LYS CA C 52 56.238 56.238 57.183 -0.945 19285 6925 1 18 . 1 1 52 52 LYS CB C 52 28.711 28.711 29.926 -1.215 19285 6926 1 18 . 1 1 52 52 LYS H H 52 7.729 7.729 8.075 -0.346 19285 6927 1 18 . 1 1 53 53 ASN N N 53 117.127 117.127 116.941 0.186 19285 6928 1 18 . 1 1 53 53 ASN HA H 53 4.764 4.764 4.820 -0.056 19285 6929 1 18 . 1 1 53 53 ASN C C 53 177.056 177.056 176.236 0.820 19285 6930 1 18 . 1 1 53 53 ASN CA C 53 51.626 51.626 52.198 -0.572 19285 6931 1 18 . 1 1 53 53 ASN CB C 53 37.742 37.742 39.049 -1.307 19285 6932 1 18 . 1 1 53 53 ASN H H 53 8.193 8.193 8.460 -0.267 19285 6933 1 18 . 1 1 54 54 GLY N N 54 113.327 113.327 109.950 3.377 19285 6934 1 18 . 1 1 54 54 GLY C C 54 172.983 172.983 173.466 -0.483 19285 6935 1 18 . 1 1 54 54 GLY CA C 54 45.671 45.671 45.699 -0.028 19285 6936 1 18 . 1 1 54 54 GLY H H 54 10.782 10.782 9.153 1.629 19285 6937 1 18 . 1 1 55 55 ARG N N 55 115.634 115.634 118.902 -3.268 19285 6938 1 18 . 1 1 55 55 ARG HA H 55 4.826 4.826 4.876 -0.050 19285 6939 1 18 . 1 1 55 55 ARG C C 55 173.745 173.745 175.176 -1.431 19285 6940 1 18 . 1 1 55 55 ARG CA C 55 54.044 54.044 53.849 0.195 19285 6941 1 18 . 1 1 55 55 ARG CB C 55 33.457 33.457 32.327 1.130 19285 6942 1 18 . 1 1 55 55 ARG H H 55 7.501 7.501 8.367 -0.866 19285 6943 1 18 . 1 1 56 56 ILE N N 56 127.446 127.446 126.760 0.686 19285 6944 1 18 . 1 1 56 56 ILE HA H 56 5.127 5.127 4.660 0.467 19285 6945 1 18 . 1 1 56 56 ILE C C 56 175.886 175.886 176.165 -0.279 19285 6946 1 18 . 1 1 56 56 ILE CA C 56 58.892 58.892 61.427 -2.535 19285 6947 1 18 . 1 1 56 56 ILE CB C 56 36.907 36.907 38.148 -1.241 19285 6948 1 18 . 1 1 56 56 ILE H H 56 9.592 9.592 9.030 0.562 19285 6949 1 18 . 1 1 57 57 ASP N N 57 129.499 129.499 128.623 0.876 19285 6950 1 18 . 1 1 57 57 ASP HA H 57 5.185 5.185 4.896 0.289 19285 6951 1 18 . 1 1 57 57 ASP C C 57 175.630 175.630 177.049 -1.419 19285 6952 1 18 . 1 1 57 57 ASP CA C 57 52.329 52.329 52.328 0.001 19285 6953 1 18 . 1 1 57 57 ASP CB C 57 42.175 42.175 41.806 0.369 19285 6954 1 18 . 1 1 57 57 ASP H H 57 9.267 9.267 9.262 0.005 19285 6955 1 18 . 1 1 58 58 PHE N N 58 118.391 118.391 119.011 -0.620 19285 6956 1 18 . 1 1 58 58 PHE HA H 58 3.761 3.761 3.633 0.128 19285 6957 1 18 . 1 1 58 58 PHE C C 58 176.306 176.306 176.473 -0.167 19285 6958 1 18 . 1 1 58 58 PHE CA C 58 61.806 61.806 62.089 -0.283 19285 6959 1 18 . 1 1 58 58 PHE CB C 58 38.539 38.539 38.961 -0.421 19285 6960 1 18 . 1 1 58 58 PHE H H 58 8.799 8.799 8.836 -0.037 19285 6961 1 18 . 1 1 59 59 ASP N N 59 118.077 118.077 118.125 -0.048 19285 6962 1 18 . 1 1 59 59 ASP HA H 59 4.167 4.167 4.248 -0.081 19285 6963 1 18 . 1 1 59 59 ASP C C 59 179.808 179.808 179.183 0.625 19285 6964 1 18 . 1 1 59 59 ASP CA C 59 57.781 57.781 57.619 0.162 19285 6965 1 18 . 1 1 59 59 ASP CB C 59 41.399 41.399 40.014 1.385 19285 6966 1 18 . 1 1 59 59 ASP H H 59 7.930 7.930 8.555 -0.625 19285 6967 1 18 . 1 1 60 60 GLU N N 60 117.047 117.047 120.306 -3.259 19285 6968 1 18 . 1 1 60 60 GLU HA H 60 3.967 3.967 4.032 -0.065 19285 6969 1 18 . 1 1 60 60 GLU C C 60 180.287 180.287 178.778 1.509 19285 6970 1 18 . 1 1 60 60 GLU CA C 60 58.326 58.326 58.924 -0.598 19285 6971 1 18 . 1 1 60 60 GLU CB C 60 29.925 29.925 29.694 0.231 19285 6972 1 18 . 1 1 60 60 GLU H H 60 7.331 7.331 9.041 -1.710 19285 6973 1 18 . 1 1 61 61 PHE N N 61 124.075 124.075 121.728 2.347 19285 6974 1 18 . 1 1 61 61 PHE HA H 61 4.155 4.155 4.162 -0.007 19285 6975 1 18 . 1 1 61 61 PHE C C 61 176.012 176.012 176.574 -0.562 19285 6976 1 18 . 1 1 61 61 PHE CA C 61 61.100 61.100 61.752 -0.652 19285 6977 1 18 . 1 1 61 61 PHE CB C 61 39.493 39.493 39.245 0.248 19285 6978 1 18 . 1 1 61 61 PHE H H 61 9.079 9.079 8.530 0.549 19285 6979 1 18 . 1 1 62 62 LEU N N 62 119.964 119.964 118.430 1.534 19285 6980 1 18 . 1 1 62 62 LEU HA H 62 3.501 3.501 3.704 -0.203 19285 6981 1 18 . 1 1 62 62 LEU C C 62 179.855 179.855 178.787 1.068 19285 6982 1 18 . 1 1 62 62 LEU CA C 62 58.109 58.109 57.822 0.287 19285 6983 1 18 . 1 1 62 62 LEU CB C 62 40.495 40.495 41.133 -0.638 19285 6984 1 18 . 1 1 62 62 LEU H H 62 8.416 8.416 7.811 0.605 19285 6985 1 18 . 1 1 63 63 LYS N N 63 121.221 121.221 119.281 1.940 19285 6986 1 18 . 1 1 63 63 LYS HA H 63 4.060 4.060 3.989 0.071 19285 6987 1 18 . 1 1 63 63 LYS C C 63 178.875 178.875 178.694 0.181 19285 6988 1 18 . 1 1 63 63 LYS CA C 63 58.288 58.288 58.893 -0.605 19285 6989 1 18 . 1 1 63 63 LYS CB C 63 31.683 31.683 32.564 -0.881 19285 6990 1 18 . 1 1 63 63 LYS H H 63 8.804 8.804 7.277 1.527 19285 6991 1 18 . 1 1 64 64 MET N N 64 119.896 119.896 120.833 -0.937 19285 6992 1 18 . 1 1 64 64 MET HA H 64 4.108 4.108 4.104 0.004 19285 6993 1 18 . 1 1 64 64 MET C C 64 178.427 178.427 178.933 -0.506 19285 6994 1 18 . 1 1 64 64 MET CA C 64 58.374 58.374 58.180 0.194 19285 6995 1 18 . 1 1 64 64 MET CB C 64 32.200 32.200 32.041 0.159 19285 6996 1 18 . 1 1 64 64 MET H H 64 7.895 7.895 8.000 -0.105 19285 6997 1 18 . 1 1 65 65 MET N N 65 116.299 116.299 115.511 0.788 19285 6998 1 18 . 1 1 65 65 MET HA H 65 4.337 4.337 4.051 0.286 19285 6999 1 18 . 1 1 65 65 MET C C 65 178.184 178.184 178.080 0.104 19285 7000 1 18 . 1 1 65 65 MET CA C 65 55.118 55.118 56.998 -1.880 19285 7001 1 18 . 1 1 65 65 MET CB C 65 30.790 30.790 30.837 -0.047 19285 7002 1 18 . 1 1 65 65 MET H H 65 7.859 7.859 7.920 -0.061 19285 7003 1 18 . 1 1 66 66 GLU N N 66 119.624 119.624 118.938 0.686 19285 7004 1 18 . 1 1 66 66 GLU HA H 66 4.091 4.091 4.079 0.012 19285 7005 1 18 . 1 1 66 66 GLU C C 66 177.017 177.017 177.975 -0.958 19285 7006 1 18 . 1 1 66 66 GLU CA C 66 58.092 58.092 58.736 -0.644 19285 7007 1 18 . 1 1 66 66 GLU CB C 66 29.619 29.619 29.781 -0.162 19285 7008 1 18 . 1 1 66 66 GLU H H 66 7.568 7.568 7.511 0.057 19285 7009 1 18 . 1 1 67 67 ASN N N 67 116.153 116.153 116.303 -0.150 19285 7010 1 18 . 1 1 67 67 ASN HA H 67 4.776 4.776 4.768 0.008 19285 7011 1 18 . 1 1 67 67 ASN C C 67 175.231 175.231 176.171 -0.940 19285 7012 1 18 . 1 1 67 67 ASN CA C 67 53.440 53.440 53.658 -0.218 19285 7013 1 18 . 1 1 67 67 ASN CB C 67 39.284 39.284 39.435 -0.151 19285 7014 1 18 . 1 1 67 67 ASN H H 67 7.819 7.819 7.818 0.001 19285 7015 1 18 . 1 1 68 68 VAL N N 68 119.217 119.217 120.094 -0.877 19285 7016 1 18 . 1 1 68 68 VAL HA H 68 4.147 4.147 3.874 0.273 19285 7017 1 18 . 1 1 68 68 VAL C C 68 175.101 175.101 175.217 -0.116 19285 7018 1 18 . 1 1 68 68 VAL CA C 68 62.576 62.576 64.081 -1.505 19285 7019 1 18 . 1 1 68 68 VAL CB C 68 32.250 32.250 32.063 0.187 19285 7020 1 18 . 1 1 68 68 VAL H H 68 7.641 7.641 7.386 0.255 19285 7021 1 19 . 1 1 2 2 GLU N N 2 122.304 122.304 122.474 -0.170 19285 7022 1 19 . 1 1 2 2 GLU HA H 2 4.059 4.059 4.225 -0.166 19285 7023 1 19 . 1 1 2 2 GLU C C 2 178.560 178.560 178.348 0.212 19285 7024 1 19 . 1 1 2 2 GLU CA C 2 59.898 59.898 59.162 0.736 19285 7025 1 19 . 1 1 2 2 GLU CB C 2 29.215 29.215 29.583 -0.368 19285 7026 1 19 . 1 1 2 2 GLU H H 2 8.881 8.881 8.758 0.123 19285 7027 1 19 . 1 1 3 3 GLU N N 3 120.033 120.033 119.670 0.363 19285 7028 1 19 . 1 1 3 3 GLU HA H 3 4.155 4.155 4.122 0.033 19285 7029 1 19 . 1 1 3 3 GLU C C 3 179.048 179.048 179.001 0.047 19285 7030 1 19 . 1 1 3 3 GLU CA C 3 59.270 59.270 59.674 -0.404 19285 7031 1 19 . 1 1 3 3 GLU CB C 3 29.343 29.343 29.351 -0.007 19285 7032 1 19 . 1 1 3 3 GLU H H 3 8.528 8.528 8.763 -0.235 19285 7033 1 19 . 1 1 4 4 GLU N N 4 120.958 120.958 118.968 1.990 19285 7034 1 19 . 1 1 4 4 GLU HA H 4 4.176 4.176 4.196 -0.020 19285 7035 1 19 . 1 1 4 4 GLU C C 4 179.840 179.840 179.255 0.585 19285 7036 1 19 . 1 1 4 4 GLU CA C 4 58.953 58.953 58.844 0.109 19285 7037 1 19 . 1 1 4 4 GLU CB C 4 29.586 29.586 29.734 -0.148 19285 7038 1 19 . 1 1 4 4 GLU H H 4 8.101 8.101 7.682 0.419 19285 7039 1 19 . 1 1 5 5 LEU N N 5 120.900 120.900 119.955 0.945 19285 7040 1 19 . 1 1 5 5 LEU HA H 5 4.395 4.395 4.452 -0.057 19285 7041 1 19 . 1 1 5 5 LEU C C 5 179.432 179.432 179.029 0.403 19285 7042 1 19 . 1 1 5 5 LEU CA C 5 57.940 57.940 57.596 0.344 19285 7043 1 19 . 1 1 5 5 LEU CB C 5 41.647 41.647 41.900 -0.253 19285 7044 1 19 . 1 1 5 5 LEU H H 5 8.570 8.570 8.655 -0.085 19285 7045 1 19 . 1 1 6 6 SER N N 6 116.354 116.354 116.177 0.177 19285 7046 1 19 . 1 1 6 6 SER HA H 6 4.261 4.261 3.665 0.596 19285 7047 1 19 . 1 1 6 6 SER C C 6 176.745 176.745 176.603 0.142 19285 7048 1 19 . 1 1 6 6 SER CA C 6 61.992 61.992 61.843 0.149 19285 7049 1 19 . 1 1 6 6 SER CB C 6 62.341 62.341 62.748 -0.408 19285 7050 1 19 . 1 1 6 6 SER H H 6 8.604 8.604 8.579 0.025 19285 7051 1 19 . 1 1 7 7 GLU N N 7 122.072 122.072 121.744 0.328 19285 7052 1 19 . 1 1 7 7 GLU HA H 7 4.190 4.190 4.055 0.135 19285 7053 1 19 . 1 1 7 7 GLU C C 7 178.189 178.189 179.046 -0.857 19285 7054 1 19 . 1 1 7 7 GLU CA C 7 58.831 58.831 59.223 -0.392 19285 7055 1 19 . 1 1 7 7 GLU CB C 7 28.965 28.965 29.583 -0.618 19285 7056 1 19 . 1 1 7 7 GLU H H 7 7.720 7.720 7.589 0.131 19285 7057 1 19 . 1 1 8 8 CYS N N 8 117.904 117.904 118.498 -0.594 19285 7058 1 19 . 1 1 8 8 CYS HA H 8 4.053 4.053 4.119 -0.066 19285 7059 1 19 . 1 1 8 8 CYS C C 8 175.681 175.681 176.932 -1.251 19285 7060 1 19 . 1 1 8 8 CYS CA C 8 62.437 62.437 63.861 -1.424 19285 7061 1 19 . 1 1 8 8 CYS CB C 8 26.416 26.416 26.931 -0.515 19285 7062 1 19 . 1 1 8 8 CYS H H 8 8.019 8.019 8.130 -0.111 19285 7063 1 19 . 1 1 9 9 PHE N N 9 119.590 119.590 121.217 -1.627 19285 7064 1 19 . 1 1 9 9 PHE HA H 9 3.351 3.351 3.382 -0.031 19285 7065 1 19 . 1 1 9 9 PHE C C 9 175.681 175.681 176.944 -1.263 19285 7066 1 19 . 1 1 9 9 PHE CA C 9 62.181 62.181 61.916 0.265 19285 7067 1 19 . 1 1 9 9 PHE CB C 9 39.277 39.277 38.325 0.952 19285 7068 1 19 . 1 1 9 9 PHE H H 9 8.427 8.427 8.518 -0.091 19285 7069 1 19 . 1 1 10 10 ARG N N 10 114.910 114.910 117.226 -2.316 19285 7070 1 19 . 1 1 10 10 ARG HA H 10 3.953 3.953 3.802 0.151 19285 7071 1 19 . 1 1 10 10 ARG C C 10 178.486 178.486 177.969 0.517 19285 7072 1 19 . 1 1 10 10 ARG CA C 10 58.967 58.967 59.109 -0.143 19285 7073 1 19 . 1 1 10 10 ARG CB C 10 29.948 29.948 30.189 -0.241 19285 7074 1 19 . 1 1 10 10 ARG H H 10 7.558 7.558 7.402 0.156 19285 7075 1 19 . 1 1 11 11 ILE N N 11 118.349 118.349 118.312 0.037 19285 7076 1 19 . 1 1 11 11 ILE HA H 11 3.582 3.582 3.644 -0.062 19285 7077 1 19 . 1 1 11 11 ILE C C 11 178.112 178.112 177.255 0.857 19285 7078 1 19 . 1 1 11 11 ILE CA C 11 63.622 63.622 64.233 -0.611 19285 7079 1 19 . 1 1 11 11 ILE CB C 11 37.340 37.340 38.015 -0.675 19285 7080 1 19 . 1 1 11 11 ILE H H 11 7.592 7.592 7.462 0.130 19285 7081 1 19 . 1 1 12 12 PHE N N 12 116.960 116.960 115.203 1.757 19285 7082 1 19 . 1 1 12 12 PHE HA H 12 4.477 4.477 4.302 0.175 19285 7083 1 19 . 1 1 12 12 PHE C C 12 176.714 176.714 176.565 0.149 19285 7084 1 19 . 1 1 12 12 PHE CA C 12 58.669 58.669 58.861 -0.192 19285 7085 1 19 . 1 1 12 12 PHE CB C 12 39.165 39.165 39.219 -0.054 19285 7086 1 19 . 1 1 12 12 PHE H H 12 7.554 7.554 7.963 -0.409 19285 7087 1 19 . 1 1 13 13 ASP N N 13 119.667 119.667 119.518 0.149 19285 7088 1 19 . 1 1 13 13 ASP HA H 13 4.474 4.474 4.697 -0.223 19285 7089 1 19 . 1 1 13 13 ASP C C 13 176.772 176.772 176.292 0.480 19285 7090 1 19 . 1 1 13 13 ASP CA C 13 52.106 52.106 52.916 -0.810 19285 7091 1 19 . 1 1 13 13 ASP CB C 13 37.794 37.794 38.755 -0.961 19285 7092 1 19 . 1 1 13 13 ASP H H 13 7.725 7.725 7.702 0.023 19285 7093 1 19 . 1 1 14 14 LYS N N 14 125.111 125.111 122.386 2.725 19285 7094 1 19 . 1 1 14 14 LYS HA H 14 3.933 3.933 4.104 -0.171 19285 7095 1 19 . 1 1 14 14 LYS C C 14 178.180 178.180 177.715 0.465 19285 7096 1 19 . 1 1 14 14 LYS CA C 14 59.277 59.277 58.095 1.182 19285 7097 1 19 . 1 1 14 14 LYS CB C 14 32.988 32.988 32.594 0.394 19285 7098 1 19 . 1 1 14 14 LYS H H 14 7.577 7.577 8.103 -0.526 19285 7099 1 19 . 1 1 15 15 ASP N N 15 114.010 114.010 117.842 -3.832 19285 7100 1 19 . 1 1 15 15 ASP HA H 15 4.588 4.588 4.579 0.009 19285 7101 1 19 . 1 1 15 15 ASP C C 15 177.680 177.680 177.350 0.330 19285 7102 1 19 . 1 1 15 15 ASP CA C 15 52.565 52.565 55.157 -2.592 19285 7103 1 19 . 1 1 15 15 ASP CB C 15 39.322 39.322 41.215 -1.893 19285 7104 1 19 . 1 1 15 15 ASP H H 15 8.032 8.032 8.587 -0.555 19285 7105 1 19 . 1 1 16 16 GLY N N 16 109.187 109.187 106.444 2.743 19285 7106 1 19 . 1 1 16 16 GLY C C 16 175.043 175.043 174.892 0.151 19285 7107 1 19 . 1 1 16 16 GLY CA C 16 47.001 47.001 45.190 1.811 19285 7108 1 19 . 1 1 16 16 GLY H H 16 7.713 7.713 8.294 -0.581 19285 7109 1 19 . 1 1 17 17 ASN N N 17 118.569 118.569 118.611 -0.042 19285 7110 1 19 . 1 1 17 17 ASN HA H 17 4.600 4.600 4.807 -0.207 19285 7111 1 19 . 1 1 17 17 ASN C C 17 176.026 176.026 176.269 -0.243 19285 7112 1 19 . 1 1 17 17 ASN CA C 17 52.265 52.265 52.927 -0.662 19285 7113 1 19 . 1 1 17 17 ASN CB C 17 37.340 37.340 39.313 -1.974 19285 7114 1 19 . 1 1 17 17 ASN H H 17 8.118 8.118 8.646 -0.528 19285 7115 1 19 . 1 1 18 18 GLY N N 18 112.477 112.477 108.172 4.305 19285 7116 1 19 . 1 1 18 18 GLY C C 18 172.479 172.479 172.945 -0.466 19285 7117 1 19 . 1 1 18 18 GLY CA C 18 45.110 45.110 45.276 -0.166 19285 7118 1 19 . 1 1 18 18 GLY H H 18 10.596 10.596 9.008 1.588 19285 7119 1 19 . 1 1 19 19 PHE N N 19 113.792 113.792 116.924 -3.132 19285 7120 1 19 . 1 1 19 19 PHE HA H 19 5.291 5.291 5.010 0.281 19285 7121 1 19 . 1 1 19 19 PHE C C 19 173.646 173.646 174.661 -1.015 19285 7122 1 19 . 1 1 19 19 PHE CA C 19 55.516 55.516 56.067 -0.551 19285 7123 1 19 . 1 1 19 19 PHE CB C 19 43.196 43.196 42.609 0.587 19285 7124 1 19 . 1 1 19 19 PHE H H 19 7.500 7.500 7.327 0.173 19285 7125 1 19 . 1 1 20 20 ILE N N 20 126.629 126.629 122.493 4.136 19285 7126 1 19 . 1 1 20 20 ILE HA H 20 5.051 5.051 4.623 0.428 19285 7127 1 19 . 1 1 20 20 ILE C C 20 175.764 175.764 175.918 -0.154 19285 7128 1 19 . 1 1 20 20 ILE CA C 20 58.933 58.933 59.526 -0.593 19285 7129 1 19 . 1 1 20 20 ILE CB C 20 37.846 37.846 37.215 0.631 19285 7130 1 19 . 1 1 20 20 ILE H H 20 9.988 9.988 9.213 0.775 19285 7131 1 19 . 1 1 21 21 ASP N N 21 129.797 129.797 127.928 1.869 19285 7132 1 19 . 1 1 21 21 ASP HA H 21 5.124 5.124 5.000 0.124 19285 7133 1 19 . 1 1 21 21 ASP C C 21 175.686 175.686 177.309 -1.623 19285 7134 1 19 . 1 1 21 21 ASP CA C 21 52.214 52.214 53.218 -1.004 19285 7135 1 19 . 1 1 21 21 ASP CB C 21 41.907 41.907 43.602 -1.695 19285 7136 1 19 . 1 1 21 21 ASP H H 21 9.322 9.322 9.022 0.300 19285 7137 1 19 . 1 1 22 22 ARG N N 22 118.041 118.041 122.606 -4.565 19285 7138 1 19 . 1 1 22 22 ARG HA H 22 3.359 3.359 3.026 0.333 19285 7139 1 19 . 1 1 22 22 ARG C C 22 178.803 178.803 177.947 0.856 19285 7140 1 19 . 1 1 22 22 ARG CA C 22 58.193 58.193 59.781 -1.588 19285 7141 1 19 . 1 1 22 22 ARG CB C 22 28.264 28.264 29.741 -1.477 19285 7142 1 19 . 1 1 22 22 ARG H H 22 8.564 8.564 8.727 -0.163 19285 7143 1 19 . 1 1 23 23 GLU N N 23 122.771 122.771 117.813 4.958 19285 7144 1 19 . 1 1 23 23 GLU HA H 23 4.108 4.108 3.988 0.120 19285 7145 1 19 . 1 1 23 23 GLU C C 23 180.100 180.100 178.382 1.718 19285 7146 1 19 . 1 1 23 23 GLU CA C 23 59.392 59.392 59.362 0.030 19285 7147 1 19 . 1 1 23 23 GLU CB C 23 28.950 28.950 28.948 0.003 19285 7148 1 19 . 1 1 23 23 GLU H H 23 8.309 8.309 8.688 -0.379 19285 7149 1 19 . 1 1 24 24 GLU N N 24 122.272 122.272 119.055 3.217 19285 7150 1 19 . 1 1 24 24 GLU HA H 24 4.179 4.179 4.166 0.013 19285 7151 1 19 . 1 1 24 24 GLU C C 24 179.466 179.466 178.486 0.980 19285 7152 1 19 . 1 1 24 24 GLU CA C 24 58.237 58.237 58.636 -0.399 19285 7153 1 19 . 1 1 24 24 GLU CB C 24 30.455 30.455 29.579 0.876 19285 7154 1 19 . 1 1 24 24 GLU H H 24 9.062 9.062 8.228 0.834 19285 7155 1 19 . 1 1 25 25 PHE N N 25 118.985 118.985 120.806 -1.821 19285 7156 1 19 . 1 1 25 25 PHE HA H 25 4.050 4.050 4.278 -0.228 19285 7157 1 19 . 1 1 25 25 PHE C C 25 176.876 176.876 177.044 -0.168 19285 7158 1 19 . 1 1 25 25 PHE CA C 25 60.766 60.766 60.418 0.348 19285 7159 1 19 . 1 1 25 25 PHE CB C 25 40.514 40.514 39.149 1.365 19285 7160 1 19 . 1 1 25 25 PHE H H 25 8.931 8.931 8.369 0.562 19285 7161 1 19 . 1 1 26 26 GLY N N 26 103.509 103.509 107.065 -3.556 19285 7162 1 19 . 1 1 26 26 GLY C C 26 175.475 175.475 175.602 -0.127 19285 7163 1 19 . 1 1 26 26 GLY CA C 26 47.163 47.163 47.549 -0.386 19285 7164 1 19 . 1 1 26 26 GLY H H 26 7.891 7.891 8.051 -0.160 19285 7165 1 19 . 1 1 27 27 ASP N N 27 119.470 119.470 121.252 -1.782 19285 7166 1 19 . 1 1 27 27 ASP HA H 27 4.545 4.545 4.483 0.062 19285 7167 1 19 . 1 1 27 27 ASP C C 27 177.555 177.555 177.407 0.148 19285 7168 1 19 . 1 1 27 27 ASP CA C 27 56.657 56.657 56.473 0.184 19285 7169 1 19 . 1 1 27 27 ASP CB C 27 40.521 40.521 40.571 -0.050 19285 7170 1 19 . 1 1 27 27 ASP H H 27 7.492 7.492 7.711 -0.219 19285 7171 1 19 . 1 1 28 28 ILE N N 28 119.005 119.005 118.105 0.900 19285 7172 1 19 . 1 1 28 28 ILE HA H 28 3.222 3.222 3.374 -0.152 19285 7173 1 19 . 1 1 28 28 ILE C C 28 178.112 178.112 177.865 0.247 19285 7174 1 19 . 1 1 28 28 ILE CA C 28 63.693 63.693 64.139 -0.446 19285 7175 1 19 . 1 1 28 28 ILE CB C 28 36.967 36.967 38.093 -1.126 19285 7176 1 19 . 1 1 28 28 ILE H H 28 7.290 7.290 7.353 -0.063 19285 7177 1 19 . 1 1 29 29 ILE N N 29 118.036 118.036 120.780 -2.744 19285 7178 1 19 . 1 1 29 29 ILE HA H 29 3.792 3.792 3.664 0.128 19285 7179 1 19 . 1 1 29 29 ILE C C 29 178.396 178.396 176.670 1.726 19285 7180 1 19 . 1 1 29 29 ILE CA C 29 61.114 61.114 61.781 -0.667 19285 7181 1 19 . 1 1 29 29 ILE CB C 29 36.103 36.103 37.503 -1.400 19285 7182 1 19 . 1 1 29 29 ILE H H 29 7.217 7.217 7.798 -0.581 19285 7183 1 19 . 1 1 30 30 ARG N N 30 120.280 120.280 118.859 1.421 19285 7184 1 19 . 1 1 30 30 ARG HA H 30 4.165 4.165 4.102 0.063 19285 7185 1 19 . 1 1 30 30 ARG C C 30 178.243 178.243 178.054 0.189 19285 7186 1 19 . 1 1 30 30 ARG CA C 30 58.528 58.528 58.362 0.166 19285 7187 1 19 . 1 1 30 30 ARG CB C 30 29.873 29.873 29.848 0.025 19285 7188 1 19 . 1 1 30 30 ARG H H 30 7.748 7.748 7.668 0.080 19285 7189 1 19 . 1 1 31 31 LEU N N 31 119.077 119.077 118.712 0.365 19285 7190 1 19 . 1 1 31 31 LEU HA H 31 4.211 4.211 4.090 0.121 19285 7191 1 19 . 1 1 31 31 LEU C C 31 178.573 178.573 178.452 0.121 19285 7192 1 19 . 1 1 31 31 LEU CA C 31 56.866 56.866 57.358 -0.492 19285 7193 1 19 . 1 1 31 31 LEU CB C 31 41.900 41.900 42.194 -0.293 19285 7194 1 19 . 1 1 31 31 LEU H H 31 7.614 7.614 7.593 0.021 19285 7195 1 19 . 1 1 32 32 THR N N 32 108.038 108.038 105.690 2.348 19285 7196 1 19 . 1 1 32 32 THR HA H 32 4.346 4.346 4.540 -0.194 19285 7197 1 19 . 1 1 32 32 THR C C 32 175.796 175.796 175.722 0.074 19285 7198 1 19 . 1 1 32 32 THR CA C 32 62.532 62.532 61.879 0.653 19285 7199 1 19 . 1 1 32 32 THR CB C 32 70.251 70.251 70.724 -0.473 19285 7200 1 19 . 1 1 32 32 THR H H 32 7.652 7.652 7.459 0.193 19285 7201 1 19 . 1 1 33 33 GLY N N 33 109.261 109.261 110.770 -1.509 19285 7202 1 19 . 1 1 33 33 GLY C C 33 174.020 174.020 175.157 -1.137 19285 7203 1 19 . 1 1 33 33 GLY CA C 33 45.617 45.617 44.530 1.087 19285 7204 1 19 . 1 1 33 33 GLY H H 33 7.812 7.812 8.131 -0.319 19285 7205 1 19 . 1 1 34 34 GLU N N 34 120.265 120.265 119.899 0.366 19285 7206 1 19 . 1 1 34 34 GLU HA H 34 4.264 4.264 4.091 0.172 19285 7207 1 19 . 1 1 34 34 GLU C C 34 176.124 176.124 176.459 -0.335 19285 7208 1 19 . 1 1 34 34 GLU CA C 34 56.198 56.198 58.141 -1.943 19285 7209 1 19 . 1 1 34 34 GLU CB C 34 30.221 30.221 28.698 1.523 19285 7210 1 19 . 1 1 34 34 GLU H H 34 7.857 7.857 8.401 -0.544 19285 7211 1 19 . 1 1 35 35 GLN N N 35 122.159 122.159 117.548 4.611 19285 7212 1 19 . 1 1 35 35 GLN HA H 35 4.319 4.319 4.389 -0.070 19285 7213 1 19 . 1 1 35 35 GLN C C 35 174.957 174.957 176.018 -1.061 19285 7214 1 19 . 1 1 35 35 GLN CA C 35 55.489 55.489 55.273 0.216 19285 7215 1 19 . 1 1 35 35 GLN CB C 35 27.772 27.772 29.004 -1.232 19285 7216 1 19 . 1 1 35 35 GLN H H 35 8.683 8.683 8.354 0.329 19285 7217 1 19 . 1 1 36 36 LEU N N 36 124.703 124.703 120.540 4.163 19285 7218 1 19 . 1 1 36 36 LEU HA H 36 4.764 4.764 4.421 0.343 19285 7219 1 19 . 1 1 36 36 LEU C C 36 177.647 177.647 177.329 0.318 19285 7220 1 19 . 1 1 36 36 LEU CA C 36 53.868 53.868 54.181 -0.312 19285 7221 1 19 . 1 1 36 36 LEU CB C 36 44.448 44.448 43.254 1.194 19285 7222 1 19 . 1 1 36 36 LEU H H 36 7.790 7.790 7.457 0.333 19285 7223 1 19 . 1 1 37 37 THR N N 37 114.475 114.475 112.306 2.169 19285 7224 1 19 . 1 1 37 37 THR HA H 37 4.485 4.485 4.459 0.026 19285 7225 1 19 . 1 1 37 37 THR C C 37 175.339 175.339 175.284 0.055 19285 7226 1 19 . 1 1 37 37 THR CA C 37 60.591 60.591 60.439 0.152 19285 7227 1 19 . 1 1 37 37 THR CB C 37 71.227 71.227 70.461 0.766 19285 7228 1 19 . 1 1 37 37 THR H H 37 9.146 9.146 8.794 0.352 19285 7229 1 19 . 1 1 38 38 ASP N N 38 120.839 120.839 121.276 -0.437 19285 7230 1 19 . 1 1 38 38 ASP HA H 38 4.255 4.255 4.389 -0.134 19285 7231 1 19 . 1 1 38 38 ASP C C 38 177.870 177.870 178.578 -0.708 19285 7232 1 19 . 1 1 38 38 ASP CA C 38 57.889 57.889 57.279 0.610 19285 7233 1 19 . 1 1 38 38 ASP CB C 38 39.895 39.895 40.294 -0.399 19285 7234 1 19 . 1 1 38 38 ASP H H 38 8.857 8.857 8.842 0.015 19285 7235 1 19 . 1 1 39 39 GLU N N 39 118.596 118.596 119.890 -1.294 19285 7236 1 19 . 1 1 39 39 GLU HA H 39 4.120 4.120 4.072 0.048 19285 7237 1 19 . 1 1 39 39 GLU C C 39 179.052 179.052 178.526 0.526 19285 7238 1 19 . 1 1 39 39 GLU CA C 39 59.662 59.662 59.304 0.358 19285 7239 1 19 . 1 1 39 39 GLU CB C 39 28.823 28.823 29.617 -0.794 19285 7240 1 19 . 1 1 39 39 GLU H H 39 8.389 8.389 8.499 -0.110 19285 7241 1 19 . 1 1 40 40 ASP N N 40 121.412 121.412 120.469 0.943 19285 7242 1 19 . 1 1 40 40 ASP HA H 40 4.460 4.460 4.615 -0.155 19285 7243 1 19 . 1 1 40 40 ASP C C 40 179.307 179.307 178.974 0.333 19285 7244 1 19 . 1 1 40 40 ASP CA C 40 57.164 57.164 57.270 -0.106 19285 7245 1 19 . 1 1 40 40 ASP CB C 40 41.229 41.229 40.470 0.759 19285 7246 1 19 . 1 1 40 40 ASP H H 40 7.768 7.768 7.994 -0.226 19285 7247 1 19 . 1 1 41 41 VAL N N 41 121.053 121.053 120.326 0.727 19285 7248 1 19 . 1 1 41 41 VAL HA H 41 3.605 3.605 3.709 -0.104 19285 7249 1 19 . 1 1 41 41 VAL C C 41 177.685 177.685 178.049 -0.364 19285 7250 1 19 . 1 1 41 41 VAL CA C 41 67.286 67.286 66.771 0.515 19285 7251 1 19 . 1 1 41 41 VAL CB C 41 31.498 31.498 31.754 -0.256 19285 7252 1 19 . 1 1 41 41 VAL H H 41 8.215 8.215 8.124 0.091 19285 7253 1 19 . 1 1 42 42 ASP N N 42 120.507 120.507 120.166 0.341 19285 7254 1 19 . 1 1 42 42 ASP HA H 42 4.213 4.213 4.492 -0.279 19285 7255 1 19 . 1 1 42 42 ASP C C 42 179.444 179.444 179.056 0.388 19285 7256 1 19 . 1 1 42 42 ASP CA C 42 57.744 57.744 57.630 0.113 19285 7257 1 19 . 1 1 42 42 ASP CB C 42 40.082 40.082 40.202 -0.120 19285 7258 1 19 . 1 1 42 42 ASP H H 42 8.527 8.527 8.041 0.486 19285 7259 1 19 . 1 1 43 43 GLU N N 43 121.091 121.091 120.339 0.752 19285 7260 1 19 . 1 1 43 43 GLU HA H 43 4.119 4.119 4.101 0.018 19285 7261 1 19 . 1 1 43 43 GLU C C 43 178.328 178.328 179.278 -0.950 19285 7262 1 19 . 1 1 43 43 GLU CA C 43 59.264 59.264 59.538 -0.274 19285 7263 1 19 . 1 1 43 43 GLU CB C 43 29.277 29.277 29.821 -0.544 19285 7264 1 19 . 1 1 43 43 GLU H H 43 7.758 7.758 8.021 -0.263 19285 7265 1 19 . 1 1 44 44 ILE N N 44 120.248 120.248 120.594 -0.346 19285 7266 1 19 . 1 1 44 44 ILE HA H 44 3.957 3.957 3.797 0.160 19285 7267 1 19 . 1 1 44 44 ILE C C 44 179.412 179.412 177.970 1.442 19285 7268 1 19 . 1 1 44 44 ILE CA C 44 64.747 64.747 65.223 -0.476 19285 7269 1 19 . 1 1 44 44 ILE CB C 44 38.919 38.919 38.159 0.760 19285 7270 1 19 . 1 1 44 44 ILE H H 44 7.934 7.934 8.270 -0.336 19285 7271 1 19 . 1 1 45 45 PHE N N 45 124.028 124.028 121.478 2.550 19285 7272 1 19 . 1 1 45 45 PHE HA H 45 3.126 3.126 3.678 -0.552 19285 7273 1 19 . 1 1 45 45 PHE C C 45 176.732 176.732 177.775 -1.043 19285 7274 1 19 . 1 1 45 45 PHE CA C 45 62.039 62.039 61.253 0.786 19285 7275 1 19 . 1 1 45 45 PHE CB C 45 38.562 38.562 38.809 -0.247 19285 7276 1 19 . 1 1 45 45 PHE H H 45 9.019 9.019 8.740 0.279 19285 7277 1 19 . 1 1 46 46 GLY N N 46 104.229 104.229 106.163 -1.934 19285 7278 1 19 . 1 1 46 46 GLY C C 46 176.365 176.365 175.316 1.049 19285 7279 1 19 . 1 1 46 46 GLY CA C 46 47.055 47.055 46.793 0.262 19285 7280 1 19 . 1 1 46 46 GLY H H 46 8.219 8.219 8.183 0.036 19285 7281 1 19 . 1 1 47 47 ASP N N 47 119.686 119.686 120.313 -0.627 19285 7282 1 19 . 1 1 47 47 ASP HA H 47 4.343 4.343 4.479 -0.136 19285 7283 1 19 . 1 1 47 47 ASP C C 47 178.101 178.101 177.390 0.711 19285 7284 1 19 . 1 1 47 47 ASP CA C 47 56.235 56.235 56.124 0.111 19285 7285 1 19 . 1 1 47 47 ASP CB C 47 40.558 40.558 41.000 -0.442 19285 7286 1 19 . 1 1 47 47 ASP H H 47 8.106 8.106 7.893 0.213 19285 7287 1 19 . 1 1 48 48 SER N N 48 113.923 113.923 111.095 2.828 19285 7288 1 19 . 1 1 48 48 SER HA H 48 4.281 4.281 4.194 0.087 19285 7289 1 19 . 1 1 48 48 SER C C 48 173.432 173.432 174.920 -1.488 19285 7290 1 19 . 1 1 48 48 SER CA C 48 59.878 59.878 59.492 0.386 19285 7291 1 19 . 1 1 48 48 SER CB C 48 63.709 63.709 63.708 0.001 19285 7292 1 19 . 1 1 48 48 SER H H 48 7.567 7.567 7.738 -0.171 19285 7293 1 19 . 1 1 49 49 ASP N N 49 121.595 121.595 123.293 -1.698 19285 7294 1 19 . 1 1 49 49 ASP HA H 49 4.424 4.424 4.556 -0.132 19285 7295 1 19 . 1 1 49 49 ASP C C 49 177.055 177.055 177.044 0.011 19285 7296 1 19 . 1 1 49 49 ASP CA C 49 51.836 51.836 52.629 -0.793 19285 7297 1 19 . 1 1 49 49 ASP CB C 49 38.427 38.427 39.206 -0.779 19285 7298 1 19 . 1 1 49 49 ASP H H 49 7.323 7.323 7.531 -0.208 19285 7299 1 19 . 1 1 50 50 THR N N 50 119.204 119.204 118.802 0.402 19285 7300 1 19 . 1 1 50 50 THR HA H 50 3.863 3.863 4.063 -0.200 19285 7301 1 19 . 1 1 50 50 THR C C 50 176.041 176.041 175.464 0.577 19285 7302 1 19 . 1 1 50 50 THR CA C 50 65.351 65.351 65.329 0.022 19285 7303 1 19 . 1 1 50 50 THR CB C 50 68.597 68.597 69.021 -0.424 19285 7304 1 19 . 1 1 50 50 THR H H 50 7.841 7.841 7.925 -0.084 19285 7305 1 19 . 1 1 51 51 ASP N N 51 117.233 117.233 118.695 -1.462 19285 7306 1 19 . 1 1 51 51 ASP HA H 51 4.607 4.607 4.699 -0.092 19285 7307 1 19 . 1 1 51 51 ASP C C 51 175.994 175.994 174.799 1.195 19285 7308 1 19 . 1 1 51 51 ASP CA C 51 52.795 52.795 54.184 -1.389 19285 7309 1 19 . 1 1 51 51 ASP CB C 51 39.098 39.098 40.711 -1.613 19285 7310 1 19 . 1 1 51 51 ASP H H 51 7.972 7.972 8.290 -0.318 19285 7311 1 19 . 1 1 52 52 LYS N N 52 113.938 113.938 116.316 -2.378 19285 7312 1 19 . 1 1 52 52 LYS HA H 52 3.961 3.961 4.077 -0.116 19285 7313 1 19 . 1 1 52 52 LYS C C 52 176.126 176.126 175.868 0.258 19285 7314 1 19 . 1 1 52 52 LYS CA C 52 56.238 56.238 57.148 -0.910 19285 7315 1 19 . 1 1 52 52 LYS CB C 52 28.711 28.711 29.977 -1.266 19285 7316 1 19 . 1 1 52 52 LYS H H 52 7.729 7.729 7.576 0.153 19285 7317 1 19 . 1 1 53 53 ASN N N 53 117.127 117.127 117.309 -0.182 19285 7318 1 19 . 1 1 53 53 ASN HA H 53 4.764 4.764 4.698 0.066 19285 7319 1 19 . 1 1 53 53 ASN C C 53 177.056 177.056 176.505 0.551 19285 7320 1 19 . 1 1 53 53 ASN CA C 53 51.626 51.626 53.108 -1.482 19285 7321 1 19 . 1 1 53 53 ASN CB C 53 37.742 37.742 39.154 -1.411 19285 7322 1 19 . 1 1 53 53 ASN H H 53 8.193 8.193 8.548 -0.355 19285 7323 1 19 . 1 1 54 54 GLY N N 54 113.327 113.327 108.959 4.368 19285 7324 1 19 . 1 1 54 54 GLY C C 54 172.983 172.983 173.299 -0.316 19285 7325 1 19 . 1 1 54 54 GLY CA C 54 45.671 45.671 45.542 0.129 19285 7326 1 19 . 1 1 54 54 GLY H H 54 10.782 10.782 8.947 1.835 19285 7327 1 19 . 1 1 55 55 ARG N N 55 115.634 115.634 118.054 -2.420 19285 7328 1 19 . 1 1 55 55 ARG HA H 55 4.826 4.826 5.123 -0.297 19285 7329 1 19 . 1 1 55 55 ARG C C 55 173.745 173.745 174.877 -1.132 19285 7330 1 19 . 1 1 55 55 ARG CA C 55 54.044 54.044 54.153 -0.109 19285 7331 1 19 . 1 1 55 55 ARG CB C 55 33.457 33.457 33.631 -0.174 19285 7332 1 19 . 1 1 55 55 ARG H H 55 7.501 7.501 7.443 0.058 19285 7333 1 19 . 1 1 56 56 ILE N N 56 127.446 127.446 123.248 4.198 19285 7334 1 19 . 1 1 56 56 ILE HA H 56 5.127 5.127 4.311 0.816 19285 7335 1 19 . 1 1 56 56 ILE C C 56 175.886 175.886 174.956 0.930 19285 7336 1 19 . 1 1 56 56 ILE CA C 56 58.892 58.892 60.450 -1.558 19285 7337 1 19 . 1 1 56 56 ILE CB C 56 36.907 36.907 39.844 -2.937 19285 7338 1 19 . 1 1 56 56 ILE H H 56 9.592 9.592 8.955 0.637 19285 7339 1 19 . 1 1 57 57 ASP N N 57 129.499 129.499 128.558 0.941 19285 7340 1 19 . 1 1 57 57 ASP HA H 57 5.185 5.185 5.234 -0.049 19285 7341 1 19 . 1 1 57 57 ASP C C 57 175.630 175.630 176.889 -1.259 19285 7342 1 19 . 1 1 57 57 ASP CA C 57 52.329 52.329 53.078 -0.749 19285 7343 1 19 . 1 1 57 57 ASP CB C 57 42.175 42.175 41.891 0.284 19285 7344 1 19 . 1 1 57 57 ASP H H 57 9.267 9.267 8.665 0.602 19285 7345 1 19 . 1 1 58 58 PHE N N 58 118.391 118.391 119.065 -0.674 19285 7346 1 19 . 1 1 58 58 PHE HA H 58 3.761 3.761 3.924 -0.163 19285 7347 1 19 . 1 1 58 58 PHE C C 58 176.306 176.306 176.566 -0.260 19285 7348 1 19 . 1 1 58 58 PHE CA C 58 61.806 61.806 59.703 2.103 19285 7349 1 19 . 1 1 58 58 PHE CB C 58 38.539 38.539 38.687 -0.148 19285 7350 1 19 . 1 1 58 58 PHE H H 58 8.799 8.799 8.901 -0.102 19285 7351 1 19 . 1 1 59 59 ASP N N 59 118.077 118.077 118.604 -0.527 19285 7352 1 19 . 1 1 59 59 ASP HA H 59 4.167 4.167 4.192 -0.025 19285 7353 1 19 . 1 1 59 59 ASP C C 59 179.808 179.808 179.284 0.524 19285 7354 1 19 . 1 1 59 59 ASP CA C 59 57.781 57.781 57.820 -0.039 19285 7355 1 19 . 1 1 59 59 ASP CB C 59 41.399 41.399 40.030 1.369 19285 7356 1 19 . 1 1 59 59 ASP H H 59 7.930 7.930 8.553 -0.623 19285 7357 1 19 . 1 1 60 60 GLU N N 60 117.047 117.047 119.389 -2.342 19285 7358 1 19 . 1 1 60 60 GLU HA H 60 3.967 3.967 4.185 -0.218 19285 7359 1 19 . 1 1 60 60 GLU C C 60 180.287 180.287 178.883 1.404 19285 7360 1 19 . 1 1 60 60 GLU CA C 60 58.326 58.326 58.153 0.173 19285 7361 1 19 . 1 1 60 60 GLU CB C 60 29.925 29.925 29.478 0.447 19285 7362 1 19 . 1 1 60 60 GLU H H 60 7.331 7.331 8.828 -1.497 19285 7363 1 19 . 1 1 61 61 PHE N N 61 124.075 124.075 122.499 1.576 19285 7364 1 19 . 1 1 61 61 PHE HA H 61 4.155 4.155 4.284 -0.129 19285 7365 1 19 . 1 1 61 61 PHE C C 61 176.012 176.012 177.362 -1.350 19285 7366 1 19 . 1 1 61 61 PHE CA C 61 61.100 61.100 61.878 -0.778 19285 7367 1 19 . 1 1 61 61 PHE CB C 61 39.493 39.493 39.449 0.044 19285 7368 1 19 . 1 1 61 61 PHE H H 61 9.079 9.079 8.481 0.598 19285 7369 1 19 . 1 1 62 62 LEU N N 62 119.964 119.964 118.448 1.516 19285 7370 1 19 . 1 1 62 62 LEU HA H 62 3.501 3.501 3.761 -0.260 19285 7371 1 19 . 1 1 62 62 LEU C C 62 179.855 179.855 178.971 0.884 19285 7372 1 19 . 1 1 62 62 LEU CA C 62 58.109 58.109 57.713 0.396 19285 7373 1 19 . 1 1 62 62 LEU CB C 62 40.495 40.495 41.437 -0.942 19285 7374 1 19 . 1 1 62 62 LEU H H 62 8.416 8.416 8.527 -0.111 19285 7375 1 19 . 1 1 63 63 LYS N N 63 121.221 121.221 118.076 3.145 19285 7376 1 19 . 1 1 63 63 LYS HA H 63 4.060 4.060 4.025 0.035 19285 7377 1 19 . 1 1 63 63 LYS C C 63 178.875 178.875 178.817 0.058 19285 7378 1 19 . 1 1 63 63 LYS CA C 63 58.288 58.288 58.928 -0.640 19285 7379 1 19 . 1 1 63 63 LYS CB C 63 31.683 31.683 32.364 -0.681 19285 7380 1 19 . 1 1 63 63 LYS H H 63 8.804 8.804 7.308 1.496 19285 7381 1 19 . 1 1 64 64 MET N N 64 119.896 119.896 117.398 2.498 19285 7382 1 19 . 1 1 64 64 MET HA H 64 4.108 4.108 4.331 -0.223 19285 7383 1 19 . 1 1 64 64 MET C C 64 178.427 178.427 178.381 0.046 19285 7384 1 19 . 1 1 64 64 MET CA C 64 58.374 58.374 57.076 1.298 19285 7385 1 19 . 1 1 64 64 MET CB C 64 32.200 32.200 32.692 -0.492 19285 7386 1 19 . 1 1 64 64 MET H H 64 7.895 7.895 7.886 0.009 19285 7387 1 19 . 1 1 65 65 MET N N 65 116.299 116.299 116.180 0.119 19285 7388 1 19 . 1 1 65 65 MET HA H 65 4.337 4.337 4.390 -0.053 19285 7389 1 19 . 1 1 65 65 MET C C 65 178.184 178.184 177.521 0.663 19285 7390 1 19 . 1 1 65 65 MET CA C 65 55.118 55.118 54.315 0.803 19285 7391 1 19 . 1 1 65 65 MET CB C 65 30.790 30.790 30.744 0.046 19285 7392 1 19 . 1 1 65 65 MET H H 65 7.859 7.859 8.176 -0.317 19285 7393 1 19 . 1 1 66 66 GLU N N 66 119.624 119.624 122.286 -2.662 19285 7394 1 19 . 1 1 66 66 GLU HA H 66 4.091 4.091 3.974 0.117 19285 7395 1 19 . 1 1 66 66 GLU C C 66 177.017 177.017 177.342 -0.325 19285 7396 1 19 . 1 1 66 66 GLU CA C 66 58.092 58.092 59.356 -1.264 19285 7397 1 19 . 1 1 66 66 GLU CB C 66 29.619 29.619 29.459 0.160 19285 7398 1 19 . 1 1 66 66 GLU H H 66 7.568 7.568 7.967 -0.399 19285 7399 1 19 . 1 1 67 67 ASN N N 67 116.153 116.153 114.668 1.485 19285 7400 1 19 . 1 1 67 67 ASN HA H 67 4.776 4.776 4.755 0.021 19285 7401 1 19 . 1 1 67 67 ASN C C 67 175.231 175.231 175.438 -0.207 19285 7402 1 19 . 1 1 67 67 ASN CA C 67 53.440 53.440 53.508 -0.068 19285 7403 1 19 . 1 1 67 67 ASN CB C 67 39.284 39.284 39.037 0.247 19285 7404 1 19 . 1 1 67 67 ASN H H 67 7.819 7.819 8.317 -0.498 19285 7405 1 19 . 1 1 68 68 VAL N N 68 119.217 119.217 119.349 -0.132 19285 7406 1 19 . 1 1 68 68 VAL HA H 68 4.147 4.147 4.053 0.095 19285 7407 1 19 . 1 1 68 68 VAL C C 68 175.101 175.101 176.400 -1.299 19285 7408 1 19 . 1 1 68 68 VAL CA C 68 62.576 62.576 63.740 -1.165 19285 7409 1 19 . 1 1 68 68 VAL CB C 68 32.250 32.250 32.899 -0.649 19285 7410 1 19 . 1 1 68 68 VAL H H 68 7.641 7.641 7.634 0.007 19285 7411 1 20 . 1 1 2 2 GLU N N 2 122.304 122.304 122.747 -0.443 19285 7412 1 20 . 1 1 2 2 GLU HA H 2 4.059 4.059 4.188 -0.129 19285 7413 1 20 . 1 1 2 2 GLU C C 2 178.560 178.560 178.366 0.194 19285 7414 1 20 . 1 1 2 2 GLU CA C 2 59.898 59.898 59.316 0.582 19285 7415 1 20 . 1 1 2 2 GLU CB C 2 29.215 29.215 29.580 -0.365 19285 7416 1 20 . 1 1 2 2 GLU H H 2 8.881 8.881 8.779 0.102 19285 7417 1 20 . 1 1 3 3 GLU N N 3 120.033 120.033 118.480 1.553 19285 7418 1 20 . 1 1 3 3 GLU HA H 3 4.155 4.155 4.129 0.026 19285 7419 1 20 . 1 1 3 3 GLU C C 3 179.048 179.048 179.299 -0.251 19285 7420 1 20 . 1 1 3 3 GLU CA C 3 59.270 59.270 59.589 -0.319 19285 7421 1 20 . 1 1 3 3 GLU CB C 3 29.343 29.343 29.381 -0.038 19285 7422 1 20 . 1 1 3 3 GLU H H 3 8.528 8.528 8.863 -0.335 19285 7423 1 20 . 1 1 4 4 GLU N N 4 120.958 120.958 120.260 0.698 19285 7424 1 20 . 1 1 4 4 GLU HA H 4 4.176 4.176 4.206 -0.030 19285 7425 1 20 . 1 1 4 4 GLU C C 4 179.840 179.840 178.825 1.015 19285 7426 1 20 . 1 1 4 4 GLU CA C 4 58.953 58.953 58.648 0.305 19285 7427 1 20 . 1 1 4 4 GLU CB C 4 29.586 29.586 29.608 -0.022 19285 7428 1 20 . 1 1 4 4 GLU H H 4 8.101 8.101 7.651 0.450 19285 7429 1 20 . 1 1 5 5 LEU N N 5 120.900 120.900 120.324 0.576 19285 7430 1 20 . 1 1 5 5 LEU HA H 5 4.395 4.395 4.260 0.135 19285 7431 1 20 . 1 1 5 5 LEU C C 5 179.432 179.432 178.933 0.499 19285 7432 1 20 . 1 1 5 5 LEU CA C 5 57.940 57.940 57.493 0.447 19285 7433 1 20 . 1 1 5 5 LEU CB C 5 41.647 41.647 41.179 0.468 19285 7434 1 20 . 1 1 5 5 LEU H H 5 8.570 8.570 8.457 0.113 19285 7435 1 20 . 1 1 6 6 SER N N 6 116.354 116.354 115.526 0.828 19285 7436 1 20 . 1 1 6 6 SER HA H 6 4.261 4.261 4.362 -0.101 19285 7437 1 20 . 1 1 6 6 SER C C 6 176.745 176.745 177.109 -0.364 19285 7438 1 20 . 1 1 6 6 SER CA C 6 61.992 61.992 62.320 -0.328 19285 7439 1 20 . 1 1 6 6 SER CB C 6 62.341 62.341 62.618 -0.277 19285 7440 1 20 . 1 1 6 6 SER H H 6 8.604 8.604 8.547 0.057 19285 7441 1 20 . 1 1 7 7 GLU N N 7 122.072 122.072 122.860 -0.788 19285 7442 1 20 . 1 1 7 7 GLU HA H 7 4.190 4.190 4.173 0.017 19285 7443 1 20 . 1 1 7 7 GLU C C 7 178.189 178.189 178.862 -0.673 19285 7444 1 20 . 1 1 7 7 GLU CA C 7 58.831 58.831 59.142 -0.311 19285 7445 1 20 . 1 1 7 7 GLU CB C 7 28.965 28.965 29.524 -0.559 19285 7446 1 20 . 1 1 7 7 GLU H H 7 7.720 7.720 7.640 0.080 19285 7447 1 20 . 1 1 8 8 CYS N N 8 117.904 117.904 118.555 -0.651 19285 7448 1 20 . 1 1 8 8 CYS HA H 8 4.053 4.053 3.796 0.257 19285 7449 1 20 . 1 1 8 8 CYS C C 8 175.681 175.681 176.766 -1.085 19285 7450 1 20 . 1 1 8 8 CYS CA C 8 62.437 62.437 63.661 -1.224 19285 7451 1 20 . 1 1 8 8 CYS CB C 8 26.416 26.416 26.584 -0.168 19285 7452 1 20 . 1 1 8 8 CYS H H 8 8.019 8.019 8.256 -0.237 19285 7453 1 20 . 1 1 9 9 PHE N N 9 119.590 119.590 121.812 -2.222 19285 7454 1 20 . 1 1 9 9 PHE HA H 9 3.351 3.351 3.492 -0.141 19285 7455 1 20 . 1 1 9 9 PHE C C 9 175.681 175.681 176.640 -0.959 19285 7456 1 20 . 1 1 9 9 PHE CA C 9 62.181 62.181 61.672 0.508 19285 7457 1 20 . 1 1 9 9 PHE CB C 9 39.277 39.277 38.559 0.718 19285 7458 1 20 . 1 1 9 9 PHE H H 9 8.427 8.427 8.653 -0.226 19285 7459 1 20 . 1 1 10 10 ARG N N 10 114.910 114.910 118.186 -3.276 19285 7460 1 20 . 1 1 10 10 ARG HA H 10 3.953 3.953 3.769 0.184 19285 7461 1 20 . 1 1 10 10 ARG C C 10 178.486 178.486 178.545 -0.059 19285 7462 1 20 . 1 1 10 10 ARG CA C 10 58.967 58.967 59.233 -0.267 19285 7463 1 20 . 1 1 10 10 ARG CB C 10 29.948 29.948 30.178 -0.230 19285 7464 1 20 . 1 1 10 10 ARG H H 10 7.558 7.558 7.625 -0.067 19285 7465 1 20 . 1 1 11 11 ILE N N 11 118.349 118.349 119.076 -0.727 19285 7466 1 20 . 1 1 11 11 ILE HA H 11 3.582 3.582 3.717 -0.135 19285 7467 1 20 . 1 1 11 11 ILE C C 11 178.112 178.112 177.376 0.736 19285 7468 1 20 . 1 1 11 11 ILE CA C 11 63.622 63.622 64.431 -0.809 19285 7469 1 20 . 1 1 11 11 ILE CB C 11 37.340 37.340 38.137 -0.797 19285 7470 1 20 . 1 1 11 11 ILE H H 11 7.592 7.592 7.680 -0.088 19285 7471 1 20 . 1 1 12 12 PHE N N 12 116.960 116.960 115.146 1.814 19285 7472 1 20 . 1 1 12 12 PHE HA H 12 4.477 4.477 4.329 0.148 19285 7473 1 20 . 1 1 12 12 PHE C C 12 176.714 176.714 176.932 -0.218 19285 7474 1 20 . 1 1 12 12 PHE CA C 12 58.669 58.669 56.933 1.736 19285 7475 1 20 . 1 1 12 12 PHE CB C 12 39.165 39.165 38.848 0.317 19285 7476 1 20 . 1 1 12 12 PHE H H 12 7.554 7.554 7.623 -0.069 19285 7477 1 20 . 1 1 13 13 ASP N N 13 119.667 119.667 119.444 0.223 19285 7478 1 20 . 1 1 13 13 ASP HA H 13 4.474 4.474 4.534 -0.060 19285 7479 1 20 . 1 1 13 13 ASP C C 13 176.772 176.772 176.721 0.051 19285 7480 1 20 . 1 1 13 13 ASP CA C 13 52.106 52.106 52.417 -0.311 19285 7481 1 20 . 1 1 13 13 ASP CB C 13 37.794 37.794 38.656 -0.862 19285 7482 1 20 . 1 1 13 13 ASP H H 13 7.725 7.725 7.916 -0.191 19285 7483 1 20 . 1 1 14 14 LYS N N 14 125.111 125.111 122.926 2.185 19285 7484 1 20 . 1 1 14 14 LYS HA H 14 3.933 3.933 4.064 -0.131 19285 7485 1 20 . 1 1 14 14 LYS C C 14 178.180 178.180 177.571 0.609 19285 7486 1 20 . 1 1 14 14 LYS CA C 14 59.277 59.277 58.616 0.661 19285 7487 1 20 . 1 1 14 14 LYS CB C 14 32.988 32.988 32.497 0.491 19285 7488 1 20 . 1 1 14 14 LYS H H 14 7.577 7.577 7.799 -0.222 19285 7489 1 20 . 1 1 15 15 ASP N N 15 114.010 114.010 117.261 -3.251 19285 7490 1 20 . 1 1 15 15 ASP HA H 15 4.588 4.588 4.539 0.049 19285 7491 1 20 . 1 1 15 15 ASP C C 15 177.680 177.680 176.979 0.701 19285 7492 1 20 . 1 1 15 15 ASP CA C 15 52.565 52.565 54.523 -1.958 19285 7493 1 20 . 1 1 15 15 ASP CB C 15 39.322 39.322 40.746 -1.424 19285 7494 1 20 . 1 1 15 15 ASP H H 15 8.032 8.032 8.144 -0.112 19285 7495 1 20 . 1 1 16 16 GLY N N 16 109.187 109.187 106.783 2.404 19285 7496 1 20 . 1 1 16 16 GLY C C 16 175.043 175.043 175.003 0.040 19285 7497 1 20 . 1 1 16 16 GLY CA C 16 47.001 47.001 45.193 1.808 19285 7498 1 20 . 1 1 16 16 GLY H H 16 7.713 7.713 7.750 -0.037 19285 7499 1 20 . 1 1 17 17 ASN N N 17 118.569 118.569 118.998 -0.429 19285 7500 1 20 . 1 1 17 17 ASN HA H 17 4.600 4.600 4.522 0.078 19285 7501 1 20 . 1 1 17 17 ASN C C 17 176.026 176.026 176.257 -0.231 19285 7502 1 20 . 1 1 17 17 ASN CA C 17 52.265 52.265 53.274 -1.009 19285 7503 1 20 . 1 1 17 17 ASN CB C 17 37.340 37.340 38.443 -1.103 19285 7504 1 20 . 1 1 17 17 ASN H H 17 8.118 8.118 8.475 -0.357 19285 7505 1 20 . 1 1 18 18 GLY N N 18 112.477 112.477 107.036 5.441 19285 7506 1 20 . 1 1 18 18 GLY C C 18 172.479 172.479 173.391 -0.912 19285 7507 1 20 . 1 1 18 18 GLY CA C 18 45.110 45.110 45.311 -0.201 19285 7508 1 20 . 1 1 18 18 GLY H H 18 10.596 10.596 8.616 1.980 19285 7509 1 20 . 1 1 19 19 PHE N N 19 113.792 113.792 113.044 0.748 19285 7510 1 20 . 1 1 19 19 PHE HA H 19 5.291 5.291 5.202 0.089 19285 7511 1 20 . 1 1 19 19 PHE C C 19 173.646 173.646 172.946 0.700 19285 7512 1 20 . 1 1 19 19 PHE CA C 19 55.516 55.516 56.996 -1.480 19285 7513 1 20 . 1 1 19 19 PHE CB C 19 43.196 43.196 40.324 2.872 19285 7514 1 20 . 1 1 19 19 PHE H H 19 7.500 7.500 7.852 -0.352 19285 7515 1 20 . 1 1 20 20 ILE N N 20 126.629 126.629 123.088 3.541 19285 7516 1 20 . 1 1 20 20 ILE HA H 20 5.051 5.051 4.565 0.486 19285 7517 1 20 . 1 1 20 20 ILE C C 20 175.764 175.764 175.405 0.359 19285 7518 1 20 . 1 1 20 20 ILE CA C 20 58.933 58.933 59.671 -0.738 19285 7519 1 20 . 1 1 20 20 ILE CB C 20 37.846 37.846 38.255 -0.409 19285 7520 1 20 . 1 1 20 20 ILE H H 20 9.988 9.988 8.988 1.000 19285 7521 1 20 . 1 1 21 21 ASP N N 21 129.797 129.797 127.483 2.314 19285 7522 1 20 . 1 1 21 21 ASP HA H 21 5.124 5.124 5.393 -0.269 19285 7523 1 20 . 1 1 21 21 ASP C C 21 175.686 175.686 177.514 -1.828 19285 7524 1 20 . 1 1 21 21 ASP CA C 21 52.214 52.214 53.019 -0.805 19285 7525 1 20 . 1 1 21 21 ASP CB C 21 41.907 41.907 42.269 -0.362 19285 7526 1 20 . 1 1 21 21 ASP H H 21 9.322 9.322 8.794 0.528 19285 7527 1 20 . 1 1 22 22 ARG N N 22 118.041 118.041 118.125 -0.084 19285 7528 1 20 . 1 1 22 22 ARG HA H 22 3.359 3.359 3.821 -0.462 19285 7529 1 20 . 1 1 22 22 ARG C C 22 178.803 178.803 178.653 0.150 19285 7530 1 20 . 1 1 22 22 ARG CA C 22 58.193 58.193 59.780 -1.587 19285 7531 1 20 . 1 1 22 22 ARG CB C 22 28.264 28.264 29.851 -1.587 19285 7532 1 20 . 1 1 22 22 ARG H H 22 8.564 8.564 8.852 -0.288 19285 7533 1 20 . 1 1 23 23 GLU N N 23 122.771 122.771 119.781 2.990 19285 7534 1 20 . 1 1 23 23 GLU HA H 23 4.108 4.108 4.115 -0.007 19285 7535 1 20 . 1 1 23 23 GLU C C 23 180.100 180.100 178.673 1.427 19285 7536 1 20 . 1 1 23 23 GLU CA C 23 59.392 59.392 59.596 -0.204 19285 7537 1 20 . 1 1 23 23 GLU CB C 23 28.950 28.950 29.367 -0.417 19285 7538 1 20 . 1 1 23 23 GLU H H 23 8.309 8.309 8.685 -0.376 19285 7539 1 20 . 1 1 24 24 GLU N N 24 122.272 122.272 119.369 2.903 19285 7540 1 20 . 1 1 24 24 GLU HA H 24 4.179 4.179 4.212 -0.033 19285 7541 1 20 . 1 1 24 24 GLU C C 24 179.466 179.466 178.767 0.699 19285 7542 1 20 . 1 1 24 24 GLU CA C 24 58.237 58.237 58.143 0.094 19285 7543 1 20 . 1 1 24 24 GLU CB C 24 30.455 30.455 29.446 1.009 19285 7544 1 20 . 1 1 24 24 GLU H H 24 9.062 9.062 9.002 0.060 19285 7545 1 20 . 1 1 25 25 PHE N N 25 118.985 118.985 121.383 -2.398 19285 7546 1 20 . 1 1 25 25 PHE HA H 25 4.050 4.050 4.285 -0.235 19285 7547 1 20 . 1 1 25 25 PHE C C 25 176.876 176.876 177.384 -0.508 19285 7548 1 20 . 1 1 25 25 PHE CA C 25 60.766 60.766 61.461 -0.695 19285 7549 1 20 . 1 1 25 25 PHE CB C 25 40.514 40.514 39.176 1.338 19285 7550 1 20 . 1 1 25 25 PHE H H 25 8.931 8.931 8.598 0.333 19285 7551 1 20 . 1 1 26 26 GLY N N 26 103.509 103.509 106.505 -2.996 19285 7552 1 20 . 1 1 26 26 GLY C C 26 175.475 175.475 175.901 -0.426 19285 7553 1 20 . 1 1 26 26 GLY CA C 26 47.163 47.163 47.463 -0.300 19285 7554 1 20 . 1 1 26 26 GLY H H 26 7.891 7.891 8.136 -0.245 19285 7555 1 20 . 1 1 27 27 ASP N N 27 119.470 119.470 122.515 -3.045 19285 7556 1 20 . 1 1 27 27 ASP HA H 27 4.545 4.545 4.419 0.126 19285 7557 1 20 . 1 1 27 27 ASP C C 27 177.555 177.555 178.490 -0.935 19285 7558 1 20 . 1 1 27 27 ASP CA C 27 56.657 56.657 56.735 -0.078 19285 7559 1 20 . 1 1 27 27 ASP CB C 27 40.521 40.521 40.377 0.144 19285 7560 1 20 . 1 1 27 27 ASP H H 27 7.492 7.492 7.454 0.038 19285 7561 1 20 . 1 1 28 28 ILE N N 28 119.005 119.005 119.623 -0.618 19285 7562 1 20 . 1 1 28 28 ILE HA H 28 3.222 3.222 3.228 -0.006 19285 7563 1 20 . 1 1 28 28 ILE C C 28 178.112 178.112 177.934 0.178 19285 7564 1 20 . 1 1 28 28 ILE CA C 28 63.693 63.693 64.766 -1.073 19285 7565 1 20 . 1 1 28 28 ILE CB C 28 36.967 36.967 37.778 -0.811 19285 7566 1 20 . 1 1 28 28 ILE H H 28 7.290 7.290 7.748 -0.458 19285 7567 1 20 . 1 1 29 29 ILE N N 29 118.036 118.036 115.224 2.812 19285 7568 1 20 . 1 1 29 29 ILE HA H 29 3.792 3.792 3.966 -0.174 19285 7569 1 20 . 1 1 29 29 ILE C C 29 178.396 178.396 177.276 1.120 19285 7570 1 20 . 1 1 29 29 ILE CA C 29 61.114 61.114 63.113 -1.999 19285 7571 1 20 . 1 1 29 29 ILE CB C 29 36.103 36.103 37.572 -1.469 19285 7572 1 20 . 1 1 29 29 ILE H H 29 7.217 7.217 7.832 -0.615 19285 7573 1 20 . 1 1 30 30 ARG N N 30 120.280 120.280 121.376 -1.096 19285 7574 1 20 . 1 1 30 30 ARG HA H 30 4.165 4.165 4.008 0.157 19285 7575 1 20 . 1 1 30 30 ARG C C 30 178.243 178.243 178.590 -0.347 19285 7576 1 20 . 1 1 30 30 ARG CA C 30 58.528 58.528 59.505 -0.977 19285 7577 1 20 . 1 1 30 30 ARG CB C 30 29.873 29.873 30.151 -0.279 19285 7578 1 20 . 1 1 30 30 ARG H H 30 7.748 7.748 7.680 0.068 19285 7579 1 20 . 1 1 31 31 LEU N N 31 119.077 119.077 117.720 1.357 19285 7580 1 20 . 1 1 31 31 LEU HA H 31 4.211 4.211 4.158 0.053 19285 7581 1 20 . 1 1 31 31 LEU C C 31 178.573 178.573 178.420 0.153 19285 7582 1 20 . 1 1 31 31 LEU CA C 31 56.866 56.866 56.974 -0.108 19285 7583 1 20 . 1 1 31 31 LEU CB C 31 41.900 41.900 42.162 -0.262 19285 7584 1 20 . 1 1 31 31 LEU H H 31 7.614 7.614 7.664 -0.050 19285 7585 1 20 . 1 1 32 32 THR N N 32 108.038 108.038 107.608 0.430 19285 7586 1 20 . 1 1 32 32 THR HA H 32 4.346 4.346 4.329 0.017 19285 7587 1 20 . 1 1 32 32 THR C C 32 175.796 175.796 175.803 -0.007 19285 7588 1 20 . 1 1 32 32 THR CA C 32 62.532 62.532 62.069 0.463 19285 7589 1 20 . 1 1 32 32 THR CB C 32 70.251 70.251 69.884 0.367 19285 7590 1 20 . 1 1 32 32 THR H H 32 7.652 7.652 7.407 0.245 19285 7591 1 20 . 1 1 33 33 GLY N N 33 109.261 109.261 111.436 -2.175 19285 7592 1 20 . 1 1 33 33 GLY C C 33 174.020 174.020 173.722 0.298 19285 7593 1 20 . 1 1 33 33 GLY CA C 33 45.617 45.617 44.944 0.673 19285 7594 1 20 . 1 1 33 33 GLY H H 33 7.812 7.812 7.633 0.179 19285 7595 1 20 . 1 1 34 34 GLU N N 34 120.265 120.265 120.755 -0.490 19285 7596 1 20 . 1 1 34 34 GLU HA H 34 4.264 4.264 4.442 -0.178 19285 7597 1 20 . 1 1 34 34 GLU C C 34 176.124 176.124 175.727 0.397 19285 7598 1 20 . 1 1 34 34 GLU CA C 34 56.198 56.198 55.139 1.058 19285 7599 1 20 . 1 1 34 34 GLU CB C 34 30.221 30.221 30.636 -0.415 19285 7600 1 20 . 1 1 34 34 GLU H H 34 7.857 7.857 8.384 -0.527 19285 7601 1 20 . 1 1 35 35 GLN N N 35 122.159 122.159 124.179 -2.020 19285 7602 1 20 . 1 1 35 35 GLN HA H 35 4.319 4.319 4.439 -0.120 19285 7603 1 20 . 1 1 35 35 GLN C C 35 174.957 174.957 175.090 -0.133 19285 7604 1 20 . 1 1 35 35 GLN CA C 35 55.489 55.489 55.185 0.304 19285 7605 1 20 . 1 1 35 35 GLN CB C 35 27.772 27.772 28.192 -0.420 19285 7606 1 20 . 1 1 35 35 GLN H H 35 8.683 8.683 8.545 0.138 19285 7607 1 20 . 1 1 36 36 LEU N N 36 124.703 124.703 126.039 -1.336 19285 7608 1 20 . 1 1 36 36 LEU HA H 36 4.764 4.764 4.771 -0.007 19285 7609 1 20 . 1 1 36 36 LEU C C 36 177.647 177.647 177.526 0.121 19285 7610 1 20 . 1 1 36 36 LEU CA C 36 53.868 53.868 53.653 0.215 19285 7611 1 20 . 1 1 36 36 LEU CB C 36 44.448 44.448 44.012 0.436 19285 7612 1 20 . 1 1 36 36 LEU H H 36 7.790 7.790 8.128 -0.338 19285 7613 1 20 . 1 1 37 37 THR N N 37 114.475 114.475 113.416 1.059 19285 7614 1 20 . 1 1 37 37 THR HA H 37 4.485 4.485 4.515 -0.030 19285 7615 1 20 . 1 1 37 37 THR C C 37 175.339 175.339 175.179 0.160 19285 7616 1 20 . 1 1 37 37 THR CA C 37 60.591 60.591 60.492 0.099 19285 7617 1 20 . 1 1 37 37 THR CB C 37 71.227 71.227 70.571 0.656 19285 7618 1 20 . 1 1 37 37 THR H H 37 9.146 9.146 9.035 0.111 19285 7619 1 20 . 1 1 38 38 ASP N N 38 120.839 120.839 121.253 -0.414 19285 7620 1 20 . 1 1 38 38 ASP HA H 38 4.255 4.255 4.352 -0.097 19285 7621 1 20 . 1 1 38 38 ASP C C 38 177.870 177.870 178.655 -0.785 19285 7622 1 20 . 1 1 38 38 ASP CA C 38 57.889 57.889 57.551 0.338 19285 7623 1 20 . 1 1 38 38 ASP CB C 38 39.895 39.895 40.285 -0.390 19285 7624 1 20 . 1 1 38 38 ASP H H 38 8.857 8.857 8.831 0.026 19285 7625 1 20 . 1 1 39 39 GLU N N 39 118.596 118.596 119.593 -0.997 19285 7626 1 20 . 1 1 39 39 GLU HA H 39 4.120 4.120 4.049 0.071 19285 7627 1 20 . 1 1 39 39 GLU C C 39 179.052 179.052 178.555 0.497 19285 7628 1 20 . 1 1 39 39 GLU CA C 39 59.662 59.662 59.242 0.420 19285 7629 1 20 . 1 1 39 39 GLU CB C 39 28.823 28.823 29.608 -0.785 19285 7630 1 20 . 1 1 39 39 GLU H H 39 8.389 8.389 8.484 -0.095 19285 7631 1 20 . 1 1 40 40 ASP N N 40 121.412 121.412 120.586 0.826 19285 7632 1 20 . 1 1 40 40 ASP HA H 40 4.460 4.460 4.439 0.021 19285 7633 1 20 . 1 1 40 40 ASP C C 40 179.307 179.307 178.975 0.332 19285 7634 1 20 . 1 1 40 40 ASP CA C 40 57.164 57.164 57.370 -0.206 19285 7635 1 20 . 1 1 40 40 ASP CB C 40 41.229 41.229 40.539 0.690 19285 7636 1 20 . 1 1 40 40 ASP H H 40 7.768 7.768 7.999 -0.231 19285 7637 1 20 . 1 1 41 41 VAL N N 41 121.053 121.053 120.136 0.917 19285 7638 1 20 . 1 1 41 41 VAL HA H 41 3.605 3.605 3.617 -0.012 19285 7639 1 20 . 1 1 41 41 VAL C C 41 177.685 177.685 177.860 -0.175 19285 7640 1 20 . 1 1 41 41 VAL CA C 41 67.286 67.286 66.659 0.628 19285 7641 1 20 . 1 1 41 41 VAL CB C 41 31.498 31.498 31.736 -0.238 19285 7642 1 20 . 1 1 41 41 VAL H H 41 8.215 8.215 8.111 0.104 19285 7643 1 20 . 1 1 42 42 ASP N N 42 120.507 120.507 120.219 0.288 19285 7644 1 20 . 1 1 42 42 ASP HA H 42 4.213 4.213 4.365 -0.152 19285 7645 1 20 . 1 1 42 42 ASP C C 42 179.444 179.444 179.123 0.321 19285 7646 1 20 . 1 1 42 42 ASP CA C 42 57.744 57.744 57.542 0.202 19285 7647 1 20 . 1 1 42 42 ASP CB C 42 40.082 40.082 40.146 -0.064 19285 7648 1 20 . 1 1 42 42 ASP H H 42 8.527 8.527 8.051 0.476 19285 7649 1 20 . 1 1 43 43 GLU N N 43 121.091 121.091 120.460 0.631 19285 7650 1 20 . 1 1 43 43 GLU HA H 43 4.119 4.119 4.091 0.028 19285 7651 1 20 . 1 1 43 43 GLU C C 43 178.328 178.328 179.137 -0.809 19285 7652 1 20 . 1 1 43 43 GLU CA C 43 59.264 59.264 59.408 -0.144 19285 7653 1 20 . 1 1 43 43 GLU CB C 43 29.277 29.277 29.806 -0.529 19285 7654 1 20 . 1 1 43 43 GLU H H 43 7.758 7.758 8.133 -0.375 19285 7655 1 20 . 1 1 44 44 ILE N N 44 120.248 120.248 120.806 -0.558 19285 7656 1 20 . 1 1 44 44 ILE HA H 44 3.957 3.957 3.691 0.266 19285 7657 1 20 . 1 1 44 44 ILE C C 44 179.412 179.412 178.324 1.088 19285 7658 1 20 . 1 1 44 44 ILE CA C 44 64.747 64.747 65.317 -0.570 19285 7659 1 20 . 1 1 44 44 ILE CB C 44 38.919 38.919 38.021 0.898 19285 7660 1 20 . 1 1 44 44 ILE H H 44 7.934 7.934 7.866 0.068 19285 7661 1 20 . 1 1 45 45 PHE N N 45 124.028 124.028 118.704 5.324 19285 7662 1 20 . 1 1 45 45 PHE HA H 45 3.126 3.126 4.130 -1.004 19285 7663 1 20 . 1 1 45 45 PHE C C 45 176.732 176.732 177.918 -1.186 19285 7664 1 20 . 1 1 45 45 PHE CA C 45 62.039 62.039 61.685 0.354 19285 7665 1 20 . 1 1 45 45 PHE CB C 45 38.562 38.562 38.488 0.074 19285 7666 1 20 . 1 1 45 45 PHE H H 45 9.019 9.019 8.701 0.318 19285 7667 1 20 . 1 1 46 46 GLY N N 46 104.229 104.229 106.550 -2.321 19285 7668 1 20 . 1 1 46 46 GLY C C 46 176.365 176.365 177.098 -0.733 19285 7669 1 20 . 1 1 46 46 GLY CA C 46 47.055 47.055 46.913 0.142 19285 7670 1 20 . 1 1 46 46 GLY H H 46 8.219 8.219 8.301 -0.082 19285 7671 1 20 . 1 1 47 47 ASP N N 47 119.686 119.686 120.639 -0.953 19285 7672 1 20 . 1 1 47 47 ASP HA H 47 4.343 4.343 4.517 -0.174 19285 7673 1 20 . 1 1 47 47 ASP C C 47 178.101 178.101 177.168 0.933 19285 7674 1 20 . 1 1 47 47 ASP CA C 47 56.235 56.235 56.136 0.098 19285 7675 1 20 . 1 1 47 47 ASP CB C 47 40.558 40.558 40.616 -0.058 19285 7676 1 20 . 1 1 47 47 ASP H H 47 8.106 8.106 7.989 0.117 19285 7677 1 20 . 1 1 48 48 SER N N 48 113.923 113.923 112.483 1.440 19285 7678 1 20 . 1 1 48 48 SER HA H 48 4.281 4.281 4.555 -0.274 19285 7679 1 20 . 1 1 48 48 SER C C 48 173.432 173.432 173.112 0.320 19285 7680 1 20 . 1 1 48 48 SER CA C 48 59.878 59.878 57.884 1.994 19285 7681 1 20 . 1 1 48 48 SER CB C 48 63.709 63.709 63.990 -0.281 19285 7682 1 20 . 1 1 48 48 SER H H 48 7.567 7.567 7.460 0.107 19285 7683 1 20 . 1 1 49 49 ASP N N 49 121.595 121.595 121.633 -0.038 19285 7684 1 20 . 1 1 49 49 ASP HA H 49 4.424 4.424 5.114 -0.690 19285 7685 1 20 . 1 1 49 49 ASP C C 49 177.055 177.055 177.539 -0.484 19285 7686 1 20 . 1 1 49 49 ASP CA C 49 51.836 51.836 53.499 -1.663 19285 7687 1 20 . 1 1 49 49 ASP CB C 49 38.427 38.427 40.783 -2.356 19285 7688 1 20 . 1 1 49 49 ASP H H 49 7.323 7.323 7.269 0.054 19285 7689 1 20 . 1 1 50 50 THR N N 50 119.204 119.204 120.745 -1.541 19285 7690 1 20 . 1 1 50 50 THR HA H 50 3.863 3.863 4.168 -0.305 19285 7691 1 20 . 1 1 50 50 THR C C 50 176.041 176.041 175.294 0.747 19285 7692 1 20 . 1 1 50 50 THR CA C 50 65.351 65.351 64.774 0.577 19285 7693 1 20 . 1 1 50 50 THR CB C 50 68.597 68.597 69.296 -0.699 19285 7694 1 20 . 1 1 50 50 THR H H 50 7.841 7.841 8.390 -0.549 19285 7695 1 20 . 1 1 51 51 ASP N N 51 117.233 117.233 119.045 -1.812 19285 7696 1 20 . 1 1 51 51 ASP HA H 51 4.607 4.607 4.729 -0.122 19285 7697 1 20 . 1 1 51 51 ASP C C 51 175.994 175.994 175.203 0.791 19285 7698 1 20 . 1 1 51 51 ASP CA C 51 52.795 52.795 53.335 -0.540 19285 7699 1 20 . 1 1 51 51 ASP CB C 51 39.098 39.098 40.299 -1.201 19285 7700 1 20 . 1 1 51 51 ASP H H 51 7.972 7.972 8.053 -0.081 19285 7701 1 20 . 1 1 52 52 LYS N N 52 113.938 113.938 116.393 -2.455 19285 7702 1 20 . 1 1 52 52 LYS HA H 52 3.961 3.961 4.035 -0.074 19285 7703 1 20 . 1 1 52 52 LYS C C 52 176.126 176.126 175.690 0.436 19285 7704 1 20 . 1 1 52 52 LYS CA C 52 56.238 56.238 56.997 -0.759 19285 7705 1 20 . 1 1 52 52 LYS CB C 52 28.711 28.711 29.779 -1.068 19285 7706 1 20 . 1 1 52 52 LYS H H 52 7.729 7.729 8.089 -0.360 19285 7707 1 20 . 1 1 53 53 ASN N N 53 117.127 117.127 117.195 -0.068 19285 7708 1 20 . 1 1 53 53 ASN HA H 53 4.764 4.764 4.843 -0.079 19285 7709 1 20 . 1 1 53 53 ASN C C 53 177.056 177.056 175.066 1.990 19285 7710 1 20 . 1 1 53 53 ASN CA C 53 51.626 51.626 51.747 -0.121 19285 7711 1 20 . 1 1 53 53 ASN CB C 53 37.742 37.742 39.005 -1.264 19285 7712 1 20 . 1 1 53 53 ASN H H 53 8.193 8.193 8.522 -0.329 19285 7713 1 20 . 1 1 54 54 GLY N N 54 113.327 113.327 109.320 4.007 19285 7714 1 20 . 1 1 54 54 GLY C C 54 172.983 172.983 173.065 -0.082 19285 7715 1 20 . 1 1 54 54 GLY CA C 54 45.671 45.671 46.069 -0.398 19285 7716 1 20 . 1 1 54 54 GLY H H 54 10.782 10.782 8.834 1.948 19285 7717 1 20 . 1 1 55 55 ARG N N 55 115.634 115.634 116.036 -0.402 19285 7718 1 20 . 1 1 55 55 ARG HA H 55 4.826 4.826 5.131 -0.305 19285 7719 1 20 . 1 1 55 55 ARG C C 55 173.745 173.745 173.695 0.050 19285 7720 1 20 . 1 1 55 55 ARG CA C 55 54.044 54.044 54.053 -0.009 19285 7721 1 20 . 1 1 55 55 ARG CB C 55 33.457 33.457 33.215 0.242 19285 7722 1 20 . 1 1 55 55 ARG H H 55 7.501 7.501 7.268 0.233 19285 7723 1 20 . 1 1 56 56 ILE N N 56 127.446 127.446 122.454 4.992 19285 7724 1 20 . 1 1 56 56 ILE HA H 56 5.127 5.127 4.825 0.302 19285 7725 1 20 . 1 1 56 56 ILE C C 56 175.886 175.886 174.945 0.941 19285 7726 1 20 . 1 1 56 56 ILE CA C 56 58.892 58.892 59.758 -0.866 19285 7727 1 20 . 1 1 56 56 ILE CB C 56 36.907 36.907 40.168 -3.261 19285 7728 1 20 . 1 1 56 56 ILE H H 56 9.592 9.592 8.650 0.942 19285 7729 1 20 . 1 1 57 57 ASP N N 57 129.499 129.499 128.013 1.486 19285 7730 1 20 . 1 1 57 57 ASP HA H 57 5.185 5.185 5.027 0.158 19285 7731 1 20 . 1 1 57 57 ASP C C 57 175.630 175.630 176.483 -0.853 19285 7732 1 20 . 1 1 57 57 ASP CA C 57 52.329 52.329 52.635 -0.306 19285 7733 1 20 . 1 1 57 57 ASP CB C 57 42.175 42.175 41.708 0.467 19285 7734 1 20 . 1 1 57 57 ASP H H 57 9.267 9.267 8.548 0.719 19285 7735 1 20 . 1 1 58 58 PHE N N 58 118.391 118.391 119.969 -1.578 19285 7736 1 20 . 1 1 58 58 PHE HA H 58 3.761 3.761 3.799 -0.038 19285 7737 1 20 . 1 1 58 58 PHE C C 58 176.306 176.306 176.435 -0.129 19285 7738 1 20 . 1 1 58 58 PHE CA C 58 61.806 61.806 62.273 -0.467 19285 7739 1 20 . 1 1 58 58 PHE CB C 58 38.539 38.539 38.999 -0.460 19285 7740 1 20 . 1 1 58 58 PHE H H 58 8.799 8.799 8.918 -0.119 19285 7741 1 20 . 1 1 59 59 ASP N N 59 118.077 118.077 118.342 -0.265 19285 7742 1 20 . 1 1 59 59 ASP HA H 59 4.167 4.167 4.162 0.005 19285 7743 1 20 . 1 1 59 59 ASP C C 59 179.808 179.808 177.749 2.059 19285 7744 1 20 . 1 1 59 59 ASP CA C 59 57.781 57.781 56.977 0.804 19285 7745 1 20 . 1 1 59 59 ASP CB C 59 41.399 41.399 39.966 1.433 19285 7746 1 20 . 1 1 59 59 ASP H H 59 7.930 7.930 8.414 -0.484 19285 7747 1 20 . 1 1 60 60 GLU N N 60 117.047 117.047 117.188 -0.141 19285 7748 1 20 . 1 1 60 60 GLU HA H 60 3.967 3.967 4.267 -0.300 19285 7749 1 20 . 1 1 60 60 GLU C C 60 180.287 180.287 178.110 2.177 19285 7750 1 20 . 1 1 60 60 GLU CA C 60 58.326 58.326 56.794 1.532 19285 7751 1 20 . 1 1 60 60 GLU CB C 60 29.925 29.925 29.870 0.055 19285 7752 1 20 . 1 1 60 60 GLU H H 60 7.331 7.331 8.427 -1.096 19285 7753 1 20 . 1 1 61 61 PHE N N 61 124.075 124.075 122.993 1.082 19285 7754 1 20 . 1 1 61 61 PHE HA H 61 4.155 4.155 4.186 -0.031 19285 7755 1 20 . 1 1 61 61 PHE C C 61 176.012 176.012 176.723 -0.711 19285 7756 1 20 . 1 1 61 61 PHE CA C 61 61.100 61.100 61.510 -0.409 19285 7757 1 20 . 1 1 61 61 PHE CB C 61 39.493 39.493 39.156 0.337 19285 7758 1 20 . 1 1 61 61 PHE H H 61 9.079 9.079 8.323 0.756 19285 7759 1 20 . 1 1 62 62 LEU N N 62 119.964 119.964 117.058 2.906 19285 7760 1 20 . 1 1 62 62 LEU HA H 62 3.501 3.501 3.697 -0.196 19285 7761 1 20 . 1 1 62 62 LEU C C 62 179.855 179.855 178.320 1.535 19285 7762 1 20 . 1 1 62 62 LEU CA C 62 58.109 58.109 57.347 0.762 19285 7763 1 20 . 1 1 62 62 LEU CB C 62 40.495 40.495 41.114 -0.619 19285 7764 1 20 . 1 1 62 62 LEU H H 62 8.416 8.416 7.840 0.576 19285 7765 1 20 . 1 1 63 63 LYS N N 63 121.221 121.221 117.387 3.834 19285 7766 1 20 . 1 1 63 63 LYS HA H 63 4.060 4.060 4.047 0.013 19285 7767 1 20 . 1 1 63 63 LYS C C 63 178.875 178.875 178.400 0.475 19285 7768 1 20 . 1 1 63 63 LYS CA C 63 58.288 58.288 58.091 0.197 19285 7769 1 20 . 1 1 63 63 LYS CB C 63 31.683 31.683 32.440 -0.757 19285 7770 1 20 . 1 1 63 63 LYS H H 63 8.804 8.804 7.417 1.387 19285 7771 1 20 . 1 1 64 64 MET N N 64 119.896 119.896 120.609 -0.713 19285 7772 1 20 . 1 1 64 64 MET HA H 64 4.108 4.108 3.971 0.137 19285 7773 1 20 . 1 1 64 64 MET C C 64 178.427 178.427 177.756 0.671 19285 7774 1 20 . 1 1 64 64 MET CA C 64 58.374 58.374 59.030 -0.656 19285 7775 1 20 . 1 1 64 64 MET CB C 64 32.200 32.200 32.606 -0.406 19285 7776 1 20 . 1 1 64 64 MET H H 64 7.895 7.895 7.557 0.338 19285 7777 1 20 . 1 1 65 65 MET N N 65 116.299 116.299 115.080 1.219 19285 7778 1 20 . 1 1 65 65 MET HA H 65 4.337 4.337 4.198 0.139 19285 7779 1 20 . 1 1 65 65 MET C C 65 178.184 178.184 177.749 0.435 19285 7780 1 20 . 1 1 65 65 MET CA C 65 55.118 55.118 56.654 -1.536 19285 7781 1 20 . 1 1 65 65 MET CB C 65 30.790 30.790 30.812 -0.022 19285 7782 1 20 . 1 1 65 65 MET H H 65 7.859 7.859 7.699 0.160 19285 7783 1 20 . 1 1 66 66 GLU N N 66 119.624 119.624 117.865 1.759 19285 7784 1 20 . 1 1 66 66 GLU HA H 66 4.091 4.091 4.068 0.023 19285 7785 1 20 . 1 1 66 66 GLU C C 66 177.017 177.017 177.692 -0.675 19285 7786 1 20 . 1 1 66 66 GLU CA C 66 58.092 58.092 58.557 -0.465 19285 7787 1 20 . 1 1 66 66 GLU CB C 66 29.619 29.619 29.520 0.099 19285 7788 1 20 . 1 1 66 66 GLU H H 66 7.568 7.568 7.605 -0.037 19285 7789 1 20 . 1 1 67 67 ASN N N 67 116.153 116.153 115.863 0.290 19285 7790 1 20 . 1 1 67 67 ASN HA H 67 4.776 4.776 4.713 0.063 19285 7791 1 20 . 1 1 67 67 ASN C C 67 175.231 175.231 176.047 -0.816 19285 7792 1 20 . 1 1 67 67 ASN CA C 67 53.440 53.440 53.740 -0.300 19285 7793 1 20 . 1 1 67 67 ASN CB C 67 39.284 39.284 39.542 -0.258 19285 7794 1 20 . 1 1 67 67 ASN H H 67 7.819 7.819 7.812 0.007 19285 7795 1 20 . 1 1 68 68 VAL N N 68 119.217 119.217 122.027 -2.810 19285 7796 1 20 . 1 1 68 68 VAL HA H 68 4.147 4.147 3.778 0.369 19285 7797 1 20 . 1 1 68 68 VAL C C 68 175.101 175.101 175.569 -0.468 19285 7798 1 20 . 1 1 68 68 VAL CA C 68 62.576 62.576 63.657 -1.081 19285 7799 1 20 . 1 1 68 68 VAL CB C 68 32.250 32.250 31.896 0.354 19285 7800 1 20 . 1 1 68 68 VAL H H 68 7.641 7.641 7.682 -0.041 19285 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 67 2.254 -0.238 2.258 19285 2 1 1 "Average Difference" HA 73 0.236 -0.046 0.233 19285 3 1 1 "Average Difference" C 67 0.740 -0.145 0.731 19285 4 1 1 "Average Difference" CA 67 0.937 0.197 0.923 19285 5 1 1 "Average Difference" CB 61 0.957 0.275 0.925 19285 6 1 1 "Average Difference" HN 67 0.524 -0.080 0.522 19285 7 1 2 "Average Difference" N 67 2.125 -0.285 2.122 19285 8 1 2 "Average Difference" HA 73 0.231 -0.054 0.227 19285 9 1 2 "Average Difference" C 67 0.720 -0.072 0.722 19285 10 1 2 "Average Difference" CA 67 0.946 0.293 0.906 19285 11 1 2 "Average Difference" CB 61 0.891 0.265 0.857 19285 12 1 2 "Average Difference" HN 67 0.505 0.006 0.508 19285 13 1 3 "Average Difference" N 67 2.164 -0.240 2.167 19285 14 1 3 "Average Difference" HA 73 0.220 -0.043 0.217 19285 15 1 3 "Average Difference" C 67 0.715 -0.066 0.717 19285 16 1 3 "Average Difference" CA 67 0.876 0.215 0.855 19285 17 1 3 "Average Difference" CB 61 0.908 0.286 0.869 19285 18 1 3 "Average Difference" HN 67 0.533 -0.065 0.533 19285 19 1 4 "Average Difference" N 67 2.106 -0.098 2.119 19285 20 1 4 "Average Difference" HA 73 0.232 -0.028 0.232 19285 21 1 4 "Average Difference" C 67 0.744 -0.040 0.749 19285 22 1 4 "Average Difference" CA 67 0.997 0.121 0.997 19285 23 1 4 "Average Difference" CB 61 0.867 0.218 0.846 19285 24 1 4 "Average Difference" HN 67 0.498 -0.015 0.502 19285 25 1 5 "Average Difference" N 67 2.326 -0.352 2.317 19285 26 1 5 "Average Difference" HA 73 0.222 -0.026 0.222 19285 27 1 5 "Average Difference" C 67 0.793 0.023 0.799 19285 28 1 5 "Average Difference" CA 67 0.871 0.197 0.855 19285 29 1 5 "Average Difference" CB 61 0.778 0.276 0.733 19285 30 1 5 "Average Difference" HN 67 0.508 -0.021 0.511 19285 31 1 6 "Average Difference" N 67 2.123 -0.433 2.094 19285 32 1 6 "Average Difference" HA 73 0.229 -0.030 0.229 19285 33 1 6 "Average Difference" C 67 0.864 -0.007 0.870 19285 34 1 6 "Average Difference" CA 67 0.770 0.287 0.720 19285 35 1 6 "Average Difference" CB 61 0.836 0.232 0.810 19285 36 1 6 "Average Difference" HN 67 0.549 -0.044 0.551 19285 37 1 7 "Average Difference" N 67 2.479 -0.589 2.426 19285 38 1 7 "Average Difference" HA 73 0.218 -0.039 0.216 19285 39 1 7 "Average Difference" C 67 0.786 -0.116 0.783 19285 40 1 7 "Average Difference" CA 67 1.041 0.312 1.001 19285 41 1 7 "Average Difference" CB 61 0.952 0.279 0.918 19285 42 1 7 "Average Difference" HN 67 0.544 -0.051 0.546 19285 43 1 8 "Average Difference" N 67 2.377 -0.132 2.392 19285 44 1 8 "Average Difference" HA 73 0.229 -0.037 0.227 19285 45 1 8 "Average Difference" C 67 0.759 -0.084 0.760 19285 46 1 8 "Average Difference" CA 67 0.985 0.251 0.960 19285 47 1 8 "Average Difference" CB 61 0.894 0.283 0.855 19285 48 1 8 "Average Difference" HN 67 0.528 -0.010 0.532 19285 49 1 9 "Average Difference" N 67 2.070 -0.047 2.085 19285 50 1 9 "Average Difference" HA 73 0.240 -0.051 0.237 19285 51 1 9 "Average Difference" C 67 0.738 0.020 0.743 19285 52 1 9 "Average Difference" CA 67 1.025 0.321 0.981 19285 53 1 9 "Average Difference" CB 61 0.881 0.377 0.803 19285 54 1 9 "Average Difference" HN 67 0.562 0.018 0.566 19285 55 1 10 "Average Difference" N 67 2.191 -0.341 2.181 19285 56 1 10 "Average Difference" HA 73 0.263 -0.033 0.263 19285 57 1 10 "Average Difference" C 67 0.780 -0.097 0.780 19285 58 1 10 "Average Difference" CA 67 1.012 0.262 0.985 19285 59 1 10 "Average Difference" CB 61 0.871 0.276 0.833 19285 60 1 10 "Average Difference" HN 67 0.518 -0.029 0.521 19285 61 1 11 "Average Difference" N 67 2.108 -0.151 2.119 19285 62 1 11 "Average Difference" HA 73 0.225 -0.017 0.226 19285 63 1 11 "Average Difference" C 67 0.773 -0.016 0.778 19285 64 1 11 "Average Difference" CA 67 0.864 0.278 0.824 19285 65 1 11 "Average Difference" CB 61 0.860 0.317 0.806 19285 66 1 11 "Average Difference" HN 67 0.530 -0.047 0.532 19285 67 1 12 "Average Difference" N 67 2.307 -0.513 2.266 19285 68 1 12 "Average Difference" HA 73 0.236 -0.029 0.236 19285 69 1 12 "Average Difference" C 67 0.791 -0.019 0.796 19285 70 1 12 "Average Difference" CA 67 0.989 0.347 0.933 19285 71 1 12 "Average Difference" CB 61 0.860 0.243 0.832 19285 72 1 12 "Average Difference" HN 67 0.514 -0.081 0.511 19285 73 1 13 "Average Difference" N 67 2.050 0.084 2.064 19285 74 1 13 "Average Difference" HA 73 0.235 -0.033 0.234 19285 75 1 13 "Average Difference" C 67 0.750 0.104 0.748 19285 76 1 13 "Average Difference" CA 67 0.963 0.356 0.902 19285 77 1 13 "Average Difference" CB 61 0.843 0.271 0.805 19285 78 1 13 "Average Difference" HN 67 0.564 0.078 0.563 19285 79 1 14 "Average Difference" N 67 2.330 -0.230 2.336 19285 80 1 14 "Average Difference" HA 73 0.230 -0.032 0.230 19285 81 1 14 "Average Difference" C 67 0.759 -0.136 0.752 19285 82 1 14 "Average Difference" CA 67 0.959 0.155 0.954 19285 83 1 14 "Average Difference" CB 61 0.905 0.222 0.885 19285 84 1 14 "Average Difference" HN 67 0.551 -0.109 0.544 19285 85 1 15 "Average Difference" N 67 2.440 -0.489 2.408 19285 86 1 15 "Average Difference" HA 73 0.230 -0.035 0.229 19285 87 1 15 "Average Difference" C 67 0.779 -0.081 0.781 19285 88 1 15 "Average Difference" CA 67 0.962 0.296 0.922 19285 89 1 15 "Average Difference" CB 61 0.984 0.279 0.951 19285 90 1 15 "Average Difference" HN 67 0.537 -0.071 0.537 19285 91 1 16 "Average Difference" N 67 2.185 -0.273 2.184 19285 92 1 16 "Average Difference" HA 73 0.262 -0.049 0.259 19285 93 1 16 "Average Difference" C 67 0.686 -0.066 0.688 19285 94 1 16 "Average Difference" CA 67 1.100 0.293 1.069 19285 95 1 16 "Average Difference" CB 61 1.020 0.288 0.987 19285 96 1 16 "Average Difference" HN 67 0.583 -0.011 0.587 19285 97 1 17 "Average Difference" N 67 2.014 -0.190 2.020 19285 98 1 17 "Average Difference" HA 73 0.232 -0.044 0.230 19285 99 1 17 "Average Difference" C 67 0.796 -0.026 0.801 19285 100 1 17 "Average Difference" CA 67 1.020 0.327 0.973 19285 101 1 17 "Average Difference" CB 61 0.899 0.120 0.898 19285 102 1 17 "Average Difference" HN 67 0.564 -0.040 0.567 19285 103 1 18 "Average Difference" N 67 2.215 -0.120 2.228 19285 104 1 18 "Average Difference" HA 73 0.235 -0.026 0.236 19285 105 1 18 "Average Difference" C 67 0.779 0.072 0.781 19285 106 1 18 "Average Difference" CA 67 1.071 0.367 1.013 19285 107 1 18 "Average Difference" CB 61 0.776 0.266 0.735 19285 108 1 18 "Average Difference" HN 67 0.546 -0.021 0.550 19285 109 1 19 "Average Difference" N 67 2.270 -0.412 2.249 19285 110 1 19 "Average Difference" HA 73 0.253 -0.037 0.252 19285 111 1 19 "Average Difference" C 67 0.798 -0.029 0.804 19285 112 1 19 "Average Difference" CA 67 0.852 0.180 0.839 19285 113 1 19 "Average Difference" CB 61 0.917 0.291 0.877 19285 114 1 19 "Average Difference" HN 67 0.521 -0.028 0.524 19285 115 1 20 "Average Difference" N 67 2.095 -0.295 2.090 19285 116 1 20 "Average Difference" HA 73 0.263 -0.012 0.265 19285 117 1 20 "Average Difference" C 67 0.802 -0.128 0.798 19285 118 1 20 "Average Difference" CA 67 0.848 0.153 0.841 19285 119 1 20 "Average Difference" CB 61 0.921 0.222 0.901 19285 120 1 20 "Average Difference" HN 67 0.523 -0.071 0.522 19285 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 19285 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 GLU N N 2 122.304 122.304 122.871 -0.567 19285 2 1 . 1 1 2 2 GLU HA H 2 4.059 4.059 4.113 -0.054 19285 3 1 . 1 1 2 2 GLU C C 2 178.560 178.560 178.320 0.240 19285 4 1 . 1 1 2 2 GLU CA C 2 59.898 59.898 59.372 0.526 19285 5 1 . 1 1 2 2 GLU CB C 2 29.215 29.215 29.524 -0.309 19285 6 1 . 1 1 2 2 GLU H H 2 8.881 8.881 8.848 0.033 19285 7 1 . 1 1 3 3 GLU N N 3 120.033 120.033 118.897 1.136 19285 8 1 . 1 1 3 3 GLU HA H 3 4.155 4.155 4.135 0.020 19285 9 1 . 1 1 3 3 GLU C C 3 179.048 179.048 179.057 -0.009 19285 10 1 . 1 1 3 3 GLU CA C 3 59.270 59.270 59.512 -0.242 19285 11 1 . 1 1 3 3 GLU CB C 3 29.343 29.343 29.368 -0.025 19285 12 1 . 1 1 3 3 GLU H H 3 8.528 8.528 8.731 -0.203 19285 13 1 . 1 1 4 4 GLU N N 4 120.958 120.958 119.574 1.384 19285 14 1 . 1 1 4 4 GLU HA H 4 4.176 4.176 4.191 -0.015 19285 15 1 . 1 1 4 4 GLU C C 4 179.840 179.840 179.123 0.717 19285 16 1 . 1 1 4 4 GLU CA C 4 58.953 58.953 58.825 0.128 19285 17 1 . 1 1 4 4 GLU CB C 4 29.586 29.586 29.717 -0.131 19285 18 1 . 1 1 4 4 GLU H H 4 8.101 8.101 7.898 0.203 19285 19 1 . 1 1 5 5 LEU N N 5 120.900 120.900 120.268 0.632 19285 20 1 . 1 1 5 5 LEU HA H 5 4.395 4.395 4.331 0.064 19285 21 1 . 1 1 5 5 LEU C C 5 179.432 179.432 179.088 0.344 19285 22 1 . 1 1 5 5 LEU CA C 5 57.940 57.940 57.520 0.420 19285 23 1 . 1 1 5 5 LEU CB C 5 41.647 41.647 41.716 -0.069 19285 24 1 . 1 1 5 5 LEU H H 5 8.570 8.570 8.415 0.155 19285 25 1 . 1 1 6 6 SER N N 6 116.354 116.354 116.139 0.215 19285 26 1 . 1 1 6 6 SER HA H 6 4.261 4.261 4.348 -0.087 19285 27 1 . 1 1 6 6 SER C C 6 176.745 176.745 176.849 -0.104 19285 28 1 . 1 1 6 6 SER CA C 6 61.992 61.992 62.140 -0.148 19285 29 1 . 1 1 6 6 SER CB C 6 62.341 62.341 62.921 -0.580 19285 30 1 . 1 1 6 6 SER H H 6 8.604 8.604 8.582 0.022 19285 31 1 . 1 1 7 7 GLU N N 7 122.072 122.072 122.143 -0.071 19285 32 1 . 1 1 7 7 GLU HA H 7 4.190 4.190 4.135 0.055 19285 33 1 . 1 1 7 7 GLU C C 7 178.189 178.189 178.920 -0.731 19285 34 1 . 1 1 7 7 GLU CA C 7 58.831 58.831 59.217 -0.386 19285 35 1 . 1 1 7 7 GLU CB C 7 28.965 28.965 29.607 -0.642 19285 36 1 . 1 1 7 7 GLU H H 7 7.720 7.720 7.695 0.025 19285 37 1 . 1 1 8 8 CYS N N 8 117.904 117.904 118.655 -0.751 19285 38 1 . 1 1 8 8 CYS HA H 8 4.053 4.053 3.898 0.155 19285 39 1 . 1 1 8 8 CYS C C 8 175.681 175.681 176.750 -1.069 19285 40 1 . 1 1 8 8 CYS CA C 8 62.437 62.437 63.727 -1.290 19285 41 1 . 1 1 8 8 CYS CB C 8 26.416 26.416 27.176 -0.760 19285 42 1 . 1 1 8 8 CYS H H 8 8.019 8.019 8.108 -0.089 19285 43 1 . 1 1 9 9 PHE N N 9 119.590 119.590 121.125 -1.535 19285 44 1 . 1 1 9 9 PHE HA H 9 3.351 3.351 3.442 -0.091 19285 45 1 . 1 1 9 9 PHE C C 9 175.681 175.681 176.816 -1.135 19285 46 1 . 1 1 9 9 PHE CA C 9 62.181 62.181 61.910 0.271 19285 47 1 . 1 1 9 9 PHE CB C 9 39.277 39.277 38.656 0.621 19285 48 1 . 1 1 9 9 PHE H H 9 8.427 8.427 8.629 -0.202 19285 49 1 . 1 1 10 10 ARG N N 10 114.910 114.910 117.674 -2.764 19285 50 1 . 1 1 10 10 ARG HA H 10 3.953 3.953 3.844 0.109 19285 51 1 . 1 1 10 10 ARG C C 10 178.486 178.486 178.147 0.339 19285 52 1 . 1 1 10 10 ARG CA C 10 58.967 58.967 59.201 -0.234 19285 53 1 . 1 1 10 10 ARG CB C 10 29.948 29.948 30.176 -0.228 19285 54 1 . 1 1 10 10 ARG H H 10 7.558 7.558 7.619 -0.061 19285 55 1 . 1 1 11 11 ILE N N 11 118.349 118.349 118.440 -0.091 19285 56 1 . 1 1 11 11 ILE HA H 11 3.582 3.582 3.690 -0.108 19285 57 1 . 1 1 11 11 ILE C C 11 178.112 178.112 177.386 0.726 19285 58 1 . 1 1 11 11 ILE CA C 11 63.622 63.622 64.245 -0.623 19285 59 1 . 1 1 11 11 ILE CB C 11 37.340 37.340 38.095 -0.755 19285 60 1 . 1 1 11 11 ILE H H 11 7.592 7.592 7.488 0.104 19285 61 1 . 1 1 12 12 PHE N N 12 116.960 116.960 115.453 1.507 19285 62 1 . 1 1 12 12 PHE HA H 12 4.477 4.477 4.303 0.174 19285 63 1 . 1 1 12 12 PHE C C 12 176.714 176.714 176.587 0.127 19285 64 1 . 1 1 12 12 PHE CA C 12 58.669 58.669 57.774 0.895 19285 65 1 . 1 1 12 12 PHE CB C 12 39.165 39.165 38.996 0.169 19285 66 1 . 1 1 12 12 PHE H H 12 7.554 7.554 7.706 -0.152 19285 67 1 . 1 1 13 13 ASP N N 13 119.667 119.667 119.591 0.076 19285 68 1 . 1 1 13 13 ASP HA H 13 4.474 4.474 4.572 -0.098 19285 69 1 . 1 1 13 13 ASP C C 13 176.772 176.772 176.253 0.518 19285 70 1 . 1 1 13 13 ASP CA C 13 52.106 52.106 52.792 -0.686 19285 71 1 . 1 1 13 13 ASP CB C 13 37.794 37.794 38.894 -1.100 19285 72 1 . 1 1 13 13 ASP H H 13 7.725 7.725 7.844 -0.119 19285 73 1 . 1 1 14 14 LYS N N 14 125.111 125.111 122.652 2.459 19285 74 1 . 1 1 14 14 LYS HA H 14 3.933 3.933 4.039 -0.106 19285 75 1 . 1 1 14 14 LYS C C 14 178.180 178.180 177.746 0.434 19285 76 1 . 1 1 14 14 LYS CA C 14 59.277 59.277 58.318 0.958 19285 77 1 . 1 1 14 14 LYS CB C 14 32.988 32.988 32.519 0.469 19285 78 1 . 1 1 14 14 LYS H H 14 7.577 7.577 7.973 -0.396 19285 79 1 . 1 1 15 15 ASP N N 15 114.010 114.010 117.034 -3.024 19285 80 1 . 1 1 15 15 ASP HA H 15 4.588 4.588 4.542 0.046 19285 81 1 . 1 1 15 15 ASP C C 15 177.680 177.680 177.051 0.629 19285 82 1 . 1 1 15 15 ASP CA C 15 52.565 52.565 54.900 -2.335 19285 83 1 . 1 1 15 15 ASP CB C 15 39.322 39.322 41.140 -1.818 19285 84 1 . 1 1 15 15 ASP H H 15 8.032 8.032 8.234 -0.202 19285 85 1 . 1 1 16 16 GLY N N 16 109.187 109.187 107.028 2.159 19285 86 1 . 1 1 16 16 GLY C C 16 175.043 175.043 174.955 0.088 19285 87 1 . 1 1 16 16 GLY CA C 16 47.001 47.001 45.315 1.686 19285 88 1 . 1 1 16 16 GLY H H 16 7.713 7.713 8.098 -0.385 19285 89 1 . 1 1 17 17 ASN N N 17 118.569 118.569 118.862 -0.293 19285 90 1 . 1 1 17 17 ASN HA H 17 4.600 4.600 4.625 -0.025 19285 91 1 . 1 1 17 17 ASN C C 17 176.026 176.026 176.246 -0.220 19285 92 1 . 1 1 17 17 ASN CA C 17 52.265 52.265 52.910 -0.645 19285 93 1 . 1 1 17 17 ASN CB C 17 37.340 37.340 38.721 -1.381 19285 94 1 . 1 1 17 17 ASN H H 17 8.118 8.118 8.367 -0.249 19285 95 1 . 1 1 18 18 GLY N N 18 112.477 112.477 107.661 4.816 19285 96 1 . 1 1 18 18 GLY C C 18 172.479 172.479 173.177 -0.698 19285 97 1 . 1 1 18 18 GLY CA C 18 45.110 45.110 45.457 -0.347 19285 98 1 . 1 1 18 18 GLY H H 18 10.596 10.596 8.771 1.825 19285 99 1 . 1 1 19 19 PHE N N 19 113.792 113.792 114.024 -0.232 19285 100 1 . 1 1 19 19 PHE HA H 19 5.291 5.291 5.282 0.009 19285 101 1 . 1 1 19 19 PHE C C 19 173.646 173.646 173.537 0.109 19285 102 1 . 1 1 19 19 PHE CA C 19 55.516 55.516 56.187 -0.671 19285 103 1 . 1 1 19 19 PHE CB C 19 43.196 43.196 41.350 1.847 19285 104 1 . 1 1 19 19 PHE H H 19 7.500 7.500 7.371 0.129 19285 105 1 . 1 1 20 20 ILE N N 20 126.629 126.629 122.401 4.228 19285 106 1 . 1 1 20 20 ILE HA H 20 5.051 5.051 4.720 0.331 19285 107 1 . 1 1 20 20 ILE C C 20 175.764 175.764 175.779 -0.015 19285 108 1 . 1 1 20 20 ILE CA C 20 58.933 58.933 59.589 -0.656 19285 109 1 . 1 1 20 20 ILE CB C 20 37.846 37.846 37.855 -0.009 19285 110 1 . 1 1 20 20 ILE H H 20 9.988 9.988 9.123 0.865 19285 111 1 . 1 1 21 21 ASP N N 21 129.797 129.797 127.926 1.871 19285 112 1 . 1 1 21 21 ASP HA H 21 5.124 5.124 5.211 -0.087 19285 113 1 . 1 1 21 21 ASP C C 21 175.686 175.686 177.318 -1.632 19285 114 1 . 1 1 21 21 ASP CA C 21 52.214 52.214 52.918 -0.704 19285 115 1 . 1 1 21 21 ASP CB C 21 41.907 41.907 43.273 -1.366 19285 116 1 . 1 1 21 21 ASP H H 21 9.322 9.322 9.045 0.277 19285 117 1 . 1 1 22 22 ARG N N 22 118.041 118.041 121.295 -3.254 19285 118 1 . 1 1 22 22 ARG HA H 22 3.359 3.359 3.303 0.056 19285 119 1 . 1 1 22 22 ARG C C 22 178.803 178.803 178.138 0.665 19285 120 1 . 1 1 22 22 ARG CA C 22 58.193 58.193 60.183 -1.990 19285 121 1 . 1 1 22 22 ARG CB C 22 28.264 28.264 29.813 -1.549 19285 122 1 . 1 1 22 22 ARG H H 22 8.564 8.564 8.748 -0.183 19285 123 1 . 1 1 23 23 GLU N N 23 122.771 122.771 118.510 4.261 19285 124 1 . 1 1 23 23 GLU HA H 23 4.108 4.108 4.023 0.085 19285 125 1 . 1 1 23 23 GLU C C 23 180.100 180.100 178.668 1.432 19285 126 1 . 1 1 23 23 GLU CA C 23 59.392 59.392 59.599 -0.207 19285 127 1 . 1 1 23 23 GLU CB C 23 28.950 28.950 29.064 -0.114 19285 128 1 . 1 1 23 23 GLU H H 23 8.309 8.309 8.614 -0.305 19285 129 1 . 1 1 24 24 GLU N N 24 122.272 122.272 119.374 2.898 19285 130 1 . 1 1 24 24 GLU HA H 24 4.179 4.179 4.151 0.028 19285 131 1 . 1 1 24 24 GLU C C 24 179.466 179.466 178.823 0.643 19285 132 1 . 1 1 24 24 GLU CA C 24 58.237 58.237 58.766 -0.529 19285 133 1 . 1 1 24 24 GLU CB C 24 30.455 30.455 29.501 0.954 19285 134 1 . 1 1 24 24 GLU H H 24 9.062 9.062 8.545 0.517 19285 135 1 . 1 1 25 25 PHE N N 25 118.985 118.985 121.379 -2.394 19285 136 1 . 1 1 25 25 PHE HA H 25 4.050 4.050 4.262 -0.212 19285 137 1 . 1 1 25 25 PHE C C 25 176.876 176.876 177.166 -0.290 19285 138 1 . 1 1 25 25 PHE CA C 25 60.766 60.766 60.784 -0.018 19285 139 1 . 1 1 25 25 PHE CB C 25 40.514 40.514 39.090 1.424 19285 140 1 . 1 1 25 25 PHE H H 25 8.931 8.931 8.573 0.358 19285 141 1 . 1 1 26 26 GLY N N 26 103.509 103.509 106.907 -3.398 19285 142 1 . 1 1 26 26 GLY C C 26 175.475 175.475 175.741 -0.266 19285 143 1 . 1 1 26 26 GLY CA C 26 47.163 47.163 47.409 -0.246 19285 144 1 . 1 1 26 26 GLY H H 26 7.891 7.891 8.283 -0.392 19285 145 1 . 1 1 27 27 ASP N N 27 119.470 119.470 122.292 -2.822 19285 146 1 . 1 1 27 27 ASP HA H 27 4.545 4.545 4.458 0.087 19285 147 1 . 1 1 27 27 ASP C C 27 177.555 177.555 178.467 -0.912 19285 148 1 . 1 1 27 27 ASP CA C 27 56.657 56.657 56.780 -0.123 19285 149 1 . 1 1 27 27 ASP CB C 27 40.521 40.521 40.549 -0.028 19285 150 1 . 1 1 27 27 ASP H H 27 7.492 7.492 7.607 -0.115 19285 151 1 . 1 1 28 28 ILE N N 28 119.005 119.005 120.291 -1.286 19285 152 1 . 1 1 28 28 ILE HA H 28 3.222 3.222 3.219 0.003 19285 153 1 . 1 1 28 28 ILE C C 28 178.112 178.112 177.742 0.370 19285 154 1 . 1 1 28 28 ILE CA C 28 63.693 63.693 64.826 -1.133 19285 155 1 . 1 1 28 28 ILE CB C 28 36.967 36.967 37.635 -0.668 19285 156 1 . 1 1 28 28 ILE H H 28 7.290 7.290 7.573 -0.283 19285 157 1 . 1 1 29 29 ILE N N 29 118.036 118.036 118.697 -0.661 19285 158 1 . 1 1 29 29 ILE HA H 29 3.792 3.792 3.648 0.144 19285 159 1 . 1 1 29 29 ILE C C 29 178.396 178.396 177.934 0.462 19285 160 1 . 1 1 29 29 ILE CA C 29 61.114 61.114 63.754 -2.640 19285 161 1 . 1 1 29 29 ILE CB C 29 36.103 36.103 37.173 -1.070 19285 162 1 . 1 1 29 29 ILE H H 29 7.217 7.217 7.748 -0.531 19285 163 1 . 1 1 30 30 ARG N N 30 120.280 120.280 119.644 0.636 19285 164 1 . 1 1 30 30 ARG HA H 30 4.165 4.165 4.036 0.129 19285 165 1 . 1 1 30 30 ARG C C 30 178.243 178.243 178.668 -0.425 19285 166 1 . 1 1 30 30 ARG CA C 30 58.528 58.528 59.086 -0.557 19285 167 1 . 1 1 30 30 ARG CB C 30 29.873 29.873 30.159 -0.286 19285 168 1 . 1 1 30 30 ARG H H 30 7.748 7.748 7.605 0.143 19285 169 1 . 1 1 31 31 LEU N N 31 119.077 119.077 118.465 0.612 19285 170 1 . 1 1 31 31 LEU HA H 31 4.211 4.211 4.220 -0.009 19285 171 1 . 1 1 31 31 LEU C C 31 178.573 178.573 178.440 0.133 19285 172 1 . 1 1 31 31 LEU CA C 31 56.866 56.866 57.023 -0.157 19285 173 1 . 1 1 31 31 LEU CB C 31 41.900 41.900 42.257 -0.357 19285 174 1 . 1 1 31 31 LEU H H 31 7.614 7.614 7.869 -0.255 19285 175 1 . 1 1 32 32 THR N N 32 108.038 108.038 108.135 -0.097 19285 176 1 . 1 1 32 32 THR HA H 32 4.346 4.346 4.400 -0.054 19285 177 1 . 1 1 32 32 THR C C 32 175.796 175.796 175.730 0.066 19285 178 1 . 1 1 32 32 THR CA C 32 62.532 62.532 62.459 0.073 19285 179 1 . 1 1 32 32 THR CB C 32 70.251 70.251 69.946 0.305 19285 180 1 . 1 1 32 32 THR H H 32 7.652 7.652 7.861 -0.209 19285 181 1 . 1 1 33 33 GLY N N 33 109.261 109.261 110.585 -1.324 19285 182 1 . 1 1 33 33 GLY C C 33 174.020 174.020 174.280 -0.260 19285 183 1 . 1 1 33 33 GLY CA C 33 45.617 45.617 44.928 0.689 19285 184 1 . 1 1 33 33 GLY H H 33 7.812 7.812 7.732 0.080 19285 185 1 . 1 1 34 34 GLU N N 34 120.265 120.265 120.393 -0.128 19285 186 1 . 1 1 34 34 GLU HA H 34 4.264 4.264 4.371 -0.107 19285 187 1 . 1 1 34 34 GLU C C 34 176.124 176.124 176.371 -0.247 19285 188 1 . 1 1 34 34 GLU CA C 34 56.198 56.198 55.963 0.235 19285 189 1 . 1 1 34 34 GLU CB C 34 30.221 30.221 30.414 -0.193 19285 190 1 . 1 1 34 34 GLU H H 34 7.857 7.857 8.169 -0.312 19285 191 1 . 1 1 35 35 GLN N N 35 122.159 122.159 121.049 1.110 19285 192 1 . 1 1 35 35 GLN HA H 35 4.319 4.319 4.394 -0.075 19285 193 1 . 1 1 35 35 GLN C C 35 174.957 174.957 175.364 -0.406 19285 194 1 . 1 1 35 35 GLN CA C 35 55.489 55.489 55.268 0.221 19285 195 1 . 1 1 35 35 GLN CB C 35 27.772 27.772 28.272 -0.500 19285 196 1 . 1 1 35 35 GLN H H 35 8.683 8.683 8.460 0.223 19285 197 1 . 1 1 36 36 LEU N N 36 124.703 124.703 123.477 1.226 19285 198 1 . 1 1 36 36 LEU HA H 36 4.764 4.764 4.646 0.118 19285 199 1 . 1 1 36 36 LEU C C 36 177.647 177.647 177.236 0.411 19285 200 1 . 1 1 36 36 LEU CA C 36 53.868 53.868 53.710 0.159 19285 201 1 . 1 1 36 36 LEU CB C 36 44.448 44.448 44.118 0.330 19285 202 1 . 1 1 36 36 LEU H H 36 7.790 7.790 7.825 -0.035 19285 203 1 . 1 1 37 37 THR N N 37 114.475 114.475 112.814 1.661 19285 204 1 . 1 1 37 37 THR HA H 37 4.485 4.485 4.506 -0.021 19285 205 1 . 1 1 37 37 THR C C 37 175.339 175.339 175.209 0.130 19285 206 1 . 1 1 37 37 THR CA C 37 60.591 60.591 60.427 0.164 19285 207 1 . 1 1 37 37 THR CB C 37 71.227 71.227 70.813 0.414 19285 208 1 . 1 1 37 37 THR H H 37 9.146 9.146 8.850 0.296 19285 209 1 . 1 1 38 38 ASP N N 38 120.839 120.839 120.439 0.400 19285 210 1 . 1 1 38 38 ASP HA H 38 4.255 4.255 4.383 -0.128 19285 211 1 . 1 1 38 38 ASP C C 38 177.870 177.870 178.515 -0.645 19285 212 1 . 1 1 38 38 ASP CA C 38 57.889 57.889 57.340 0.549 19285 213 1 . 1 1 38 38 ASP CB C 38 39.895 39.895 40.356 -0.461 19285 214 1 . 1 1 38 38 ASP H H 38 8.857 8.857 8.811 0.046 19285 215 1 . 1 1 39 39 GLU N N 39 118.596 118.596 119.328 -0.732 19285 216 1 . 1 1 39 39 GLU HA H 39 4.120 4.120 4.118 0.002 19285 217 1 . 1 1 39 39 GLU C C 39 179.052 179.052 178.447 0.605 19285 218 1 . 1 1 39 39 GLU CA C 39 59.662 59.662 59.005 0.658 19285 219 1 . 1 1 39 39 GLU CB C 39 28.823 28.823 29.679 -0.856 19285 220 1 . 1 1 39 39 GLU H H 39 8.389 8.389 8.182 0.207 19285 221 1 . 1 1 40 40 ASP N N 40 121.412 121.412 120.588 0.824 19285 222 1 . 1 1 40 40 ASP HA H 40 4.460 4.460 4.517 -0.057 19285 223 1 . 1 1 40 40 ASP C C 40 179.307 179.307 178.915 0.392 19285 224 1 . 1 1 40 40 ASP CA C 40 57.164 57.164 57.223 -0.059 19285 225 1 . 1 1 40 40 ASP CB C 40 41.229 41.229 40.562 0.667 19285 226 1 . 1 1 40 40 ASP H H 40 7.768 7.768 7.921 -0.153 19285 227 1 . 1 1 41 41 VAL N N 41 121.053 121.053 119.908 1.145 19285 228 1 . 1 1 41 41 VAL HA H 41 3.605 3.605 3.791 -0.186 19285 229 1 . 1 1 41 41 VAL C C 41 177.685 177.685 177.879 -0.194 19285 230 1 . 1 1 41 41 VAL CA C 41 67.286 67.286 66.956 0.330 19285 231 1 . 1 1 41 41 VAL CB C 41 31.498 31.498 31.808 -0.310 19285 232 1 . 1 1 41 41 VAL H H 41 8.215 8.215 8.113 0.102 19285 233 1 . 1 1 42 42 ASP N N 42 120.507 120.507 119.740 0.767 19285 234 1 . 1 1 42 42 ASP HA H 42 4.213 4.213 4.487 -0.274 19285 235 1 . 1 1 42 42 ASP C C 42 179.444 179.444 178.869 0.575 19285 236 1 . 1 1 42 42 ASP CA C 42 57.744 57.744 57.557 0.187 19285 237 1 . 1 1 42 42 ASP CB C 42 40.082 40.082 40.374 -0.292 19285 238 1 . 1 1 42 42 ASP H H 42 8.527 8.527 7.921 0.606 19285 239 1 . 1 1 43 43 GLU N N 43 121.091 121.091 120.586 0.505 19285 240 1 . 1 1 43 43 GLU HA H 43 4.119 4.119 4.096 0.023 19285 241 1 . 1 1 43 43 GLU C C 43 178.328 178.328 179.123 -0.795 19285 242 1 . 1 1 43 43 GLU CA C 43 59.264 59.264 59.511 -0.247 19285 243 1 . 1 1 43 43 GLU CB C 43 29.277 29.277 29.831 -0.554 19285 244 1 . 1 1 43 43 GLU H H 43 7.758 7.758 8.026 -0.268 19285 245 1 . 1 1 44 44 ILE N N 44 120.248 120.248 120.144 0.104 19285 246 1 . 1 1 44 44 ILE HA H 44 3.957 3.957 3.822 0.135 19285 247 1 . 1 1 44 44 ILE C C 44 179.412 179.412 178.005 1.407 19285 248 1 . 1 1 44 44 ILE CA C 44 64.747 64.747 64.630 0.117 19285 249 1 . 1 1 44 44 ILE CB C 44 38.919 38.919 37.896 1.023 19285 250 1 . 1 1 44 44 ILE H H 44 7.934 7.934 8.224 -0.290 19285 251 1 . 1 1 45 45 PHE N N 45 124.028 124.028 121.068 2.960 19285 252 1 . 1 1 45 45 PHE HA H 45 3.126 3.126 3.637 -0.511 19285 253 1 . 1 1 45 45 PHE C C 45 176.732 176.732 177.527 -0.795 19285 254 1 . 1 1 45 45 PHE CA C 45 62.039 62.039 61.516 0.523 19285 255 1 . 1 1 45 45 PHE CB C 45 38.562 38.562 38.665 -0.103 19285 256 1 . 1 1 45 45 PHE H H 45 9.019 9.019 8.529 0.490 19285 257 1 . 1 1 46 46 GLY N N 46 104.229 104.229 106.206 -1.977 19285 258 1 . 1 1 46 46 GLY C C 46 176.365 176.365 175.558 0.807 19285 259 1 . 1 1 46 46 GLY CA C 46 47.055 47.055 46.866 0.189 19285 260 1 . 1 1 46 46 GLY H H 46 8.219 8.219 8.225 -0.006 19285 261 1 . 1 1 47 47 ASP N N 47 119.686 119.686 120.616 -0.930 19285 262 1 . 1 1 47 47 ASP HA H 47 4.343 4.343 4.463 -0.120 19285 263 1 . 1 1 47 47 ASP C C 47 178.101 178.101 177.711 0.390 19285 264 1 . 1 1 47 47 ASP CA C 47 56.235 56.235 56.244 -0.009 19285 265 1 . 1 1 47 47 ASP CB C 47 40.558 40.558 40.764 -0.206 19285 266 1 . 1 1 47 47 ASP H H 47 8.106 8.106 7.913 0.193 19285 267 1 . 1 1 48 48 SER N N 48 113.923 113.923 112.645 1.278 19285 268 1 . 1 1 48 48 SER HA H 48 4.281 4.281 4.225 0.056 19285 269 1 . 1 1 48 48 SER C C 48 173.432 173.432 174.573 -1.141 19285 270 1 . 1 1 48 48 SER CA C 48 59.878 59.878 60.168 -0.290 19285 271 1 . 1 1 48 48 SER CB C 48 63.709 63.709 63.567 0.142 19285 272 1 . 1 1 48 48 SER H H 48 7.567 7.567 7.837 -0.270 19285 273 1 . 1 1 49 49 ASP N N 49 121.595 121.595 122.312 -0.717 19285 274 1 . 1 1 49 49 ASP HA H 49 4.424 4.424 4.647 -0.223 19285 275 1 . 1 1 49 49 ASP C C 49 177.055 177.055 177.070 -0.015 19285 276 1 . 1 1 49 49 ASP CA C 49 51.836 51.836 53.069 -1.233 19285 277 1 . 1 1 49 49 ASP CB C 49 38.427 38.427 39.428 -1.001 19285 278 1 . 1 1 49 49 ASP H H 49 7.323 7.323 7.533 -0.210 19285 279 1 . 1 1 50 50 THR N N 50 119.204 119.204 117.771 1.433 19285 280 1 . 1 1 50 50 THR HA H 50 3.863 3.863 4.125 -0.262 19285 281 1 . 1 1 50 50 THR C C 50 176.041 176.041 175.600 0.441 19285 282 1 . 1 1 50 50 THR CA C 50 65.351 65.351 64.602 0.749 19285 283 1 . 1 1 50 50 THR CB C 50 68.597 68.597 69.119 -0.522 19285 284 1 . 1 1 50 50 THR H H 50 7.841 7.841 8.164 -0.323 19285 285 1 . 1 1 51 51 ASP N N 51 117.233 117.233 119.719 -2.486 19285 286 1 . 1 1 51 51 ASP HA H 51 4.607 4.607 4.676 -0.069 19285 287 1 . 1 1 51 51 ASP C C 51 175.994 175.994 175.118 0.877 19285 288 1 . 1 1 51 51 ASP CA C 51 52.795 52.795 54.396 -1.601 19285 289 1 . 1 1 51 51 ASP CB C 51 39.098 39.098 40.732 -1.634 19285 290 1 . 1 1 51 51 ASP H H 51 7.972 7.972 8.272 -0.300 19285 291 1 . 1 1 52 52 LYS N N 52 113.938 113.938 115.989 -2.051 19285 292 1 . 1 1 52 52 LYS HA H 52 3.961 3.961 4.047 -0.086 19285 293 1 . 1 1 52 52 LYS C C 52 176.126 176.126 175.725 0.401 19285 294 1 . 1 1 52 52 LYS CA C 52 56.238 56.238 57.139 -0.901 19285 295 1 . 1 1 52 52 LYS CB C 52 28.711 28.711 29.764 -1.053 19285 296 1 . 1 1 52 52 LYS H H 52 7.729 7.729 7.821 -0.092 19285 297 1 . 1 1 53 53 ASN N N 53 117.127 117.127 116.979 0.148 19285 298 1 . 1 1 53 53 ASN HA H 53 4.764 4.764 4.745 0.019 19285 299 1 . 1 1 53 53 ASN C C 53 177.056 177.056 176.124 0.932 19285 300 1 . 1 1 53 53 ASN CA C 53 51.626 51.626 52.573 -0.946 19285 301 1 . 1 1 53 53 ASN CB C 53 37.742 37.742 39.108 -1.366 19285 302 1 . 1 1 53 53 ASN H H 53 8.193 8.193 8.441 -0.248 19285 303 1 . 1 1 54 54 GLY N N 54 113.327 113.327 109.360 3.967 19285 304 1 . 1 1 54 54 GLY C C 54 172.983 172.983 173.244 -0.261 19285 305 1 . 1 1 54 54 GLY CA C 54 45.671 45.671 45.571 0.100 19285 306 1 . 1 1 54 54 GLY H H 54 10.782 10.782 8.970 1.812 19285 307 1 . 1 1 55 55 ARG N N 55 115.634 115.634 117.201 -1.567 19285 308 1 . 1 1 55 55 ARG HA H 55 4.826 4.826 4.944 -0.118 19285 309 1 . 1 1 55 55 ARG C C 55 173.745 173.745 174.390 -0.645 19285 310 1 . 1 1 55 55 ARG CA C 55 54.044 54.044 54.145 -0.101 19285 311 1 . 1 1 55 55 ARG CB C 55 33.457 33.457 33.151 0.306 19285 312 1 . 1 1 55 55 ARG H H 55 7.501 7.501 7.967 -0.466 19285 313 1 . 1 1 56 56 ILE N N 56 127.446 127.446 122.950 4.496 19285 314 1 . 1 1 56 56 ILE HA H 56 5.127 5.127 4.547 0.580 19285 315 1 . 1 1 56 56 ILE C C 56 175.886 175.886 175.292 0.594 19285 316 1 . 1 1 56 56 ILE CA C 56 58.892 58.892 60.030 -1.138 19285 317 1 . 1 1 56 56 ILE CB C 56 36.907 36.907 39.031 -2.124 19285 318 1 . 1 1 56 56 ILE H H 56 9.592 9.592 8.830 0.762 19285 319 1 . 1 1 57 57 ASP N N 57 129.499 129.499 128.242 1.257 19285 320 1 . 1 1 57 57 ASP HA H 57 5.185 5.185 4.963 0.222 19285 321 1 . 1 1 57 57 ASP C C 57 175.630 175.630 177.014 -1.384 19285 322 1 . 1 1 57 57 ASP CA C 57 52.329 52.329 53.124 -0.795 19285 323 1 . 1 1 57 57 ASP CB C 57 42.175 42.175 42.550 -0.375 19285 324 1 . 1 1 57 57 ASP H H 57 9.267 9.267 8.778 0.489 19285 325 1 . 1 1 58 58 PHE N N 58 118.391 118.391 120.748 -2.357 19285 326 1 . 1 1 58 58 PHE HA H 58 3.761 3.761 3.825 -0.064 19285 327 1 . 1 1 58 58 PHE C C 58 176.306 176.306 176.572 -0.266 19285 328 1 . 1 1 58 58 PHE CA C 58 61.806 61.806 61.890 -0.084 19285 329 1 . 1 1 58 58 PHE CB C 58 38.539 38.539 38.951 -0.412 19285 330 1 . 1 1 58 58 PHE H H 58 8.799 8.799 8.988 -0.189 19285 331 1 . 1 1 59 59 ASP N N 59 118.077 118.077 117.982 0.095 19285 332 1 . 1 1 59 59 ASP HA H 59 4.167 4.167 4.261 -0.094 19285 333 1 . 1 1 59 59 ASP C C 59 179.808 179.808 178.814 0.994 19285 334 1 . 1 1 59 59 ASP CA C 59 57.781 57.781 57.729 0.052 19285 335 1 . 1 1 59 59 ASP CB C 59 41.399 41.399 39.839 1.560 19285 336 1 . 1 1 59 59 ASP H H 59 7.930 7.930 8.645 -0.715 19285 337 1 . 1 1 60 60 GLU N N 60 117.047 117.047 119.495 -2.448 19285 338 1 . 1 1 60 60 GLU HA H 60 3.967 3.967 4.106 -0.139 19285 339 1 . 1 1 60 60 GLU C C 60 180.287 180.287 178.595 1.692 19285 340 1 . 1 1 60 60 GLU CA C 60 58.326 58.326 58.519 -0.193 19285 341 1 . 1 1 60 60 GLU CB C 60 29.925 29.925 29.462 0.463 19285 342 1 . 1 1 60 60 GLU H H 60 7.331 7.331 8.493 -1.162 19285 343 1 . 1 1 61 61 PHE N N 61 124.075 124.075 122.282 1.793 19285 344 1 . 1 1 61 61 PHE HA H 61 4.155 4.155 4.245 -0.090 19285 345 1 . 1 1 61 61 PHE C C 61 176.012 176.012 176.915 -0.903 19285 346 1 . 1 1 61 61 PHE CA C 61 61.100 61.100 61.659 -0.559 19285 347 1 . 1 1 61 61 PHE CB C 61 39.493 39.493 39.274 0.219 19285 348 1 . 1 1 61 61 PHE H H 61 9.079 9.079 8.473 0.606 19285 349 1 . 1 1 62 62 LEU N N 62 119.964 119.964 118.763 1.201 19285 350 1 . 1 1 62 62 LEU HA H 62 3.501 3.501 3.704 -0.203 19285 351 1 . 1 1 62 62 LEU C C 62 179.855 179.855 178.811 1.044 19285 352 1 . 1 1 62 62 LEU CA C 62 58.109 58.109 57.928 0.182 19285 353 1 . 1 1 62 62 LEU CB C 62 40.495 40.495 41.149 -0.654 19285 354 1 . 1 1 62 62 LEU H H 62 8.416 8.416 8.203 0.213 19285 355 1 . 1 1 63 63 LYS N N 63 121.221 121.221 118.121 3.100 19285 356 1 . 1 1 63 63 LYS HA H 63 4.060 4.060 4.051 0.009 19285 357 1 . 1 1 63 63 LYS C C 63 178.875 178.875 178.967 -0.092 19285 358 1 . 1 1 63 63 LYS CA C 63 58.288 58.288 58.905 -0.617 19285 359 1 . 1 1 63 63 LYS CB C 63 31.683 31.683 32.368 -0.685 19285 360 1 . 1 1 63 63 LYS H H 63 8.804 8.804 7.438 1.366 19285 361 1 . 1 1 64 64 MET N N 64 119.896 119.896 120.191 -0.295 19285 362 1 . 1 1 64 64 MET HA H 64 4.108 4.108 4.106 0.002 19285 363 1 . 1 1 64 64 MET C C 64 178.427 178.427 177.989 0.438 19285 364 1 . 1 1 64 64 MET CA C 64 58.374 58.374 58.209 0.165 19285 365 1 . 1 1 64 64 MET CB C 64 32.200 32.200 32.518 -0.318 19285 366 1 . 1 1 64 64 MET H H 64 7.895 7.895 7.979 -0.084 19285 367 1 . 1 1 65 65 MET N N 65 116.299 116.299 115.890 0.409 19285 368 1 . 1 1 65 65 MET HA H 65 4.337 4.337 4.182 0.155 19285 369 1 . 1 1 65 65 MET C C 65 178.184 178.184 178.393 -0.209 19285 370 1 . 1 1 65 65 MET CA C 65 55.118 55.118 56.427 -1.309 19285 371 1 . 1 1 65 65 MET CB C 65 30.790 30.790 30.836 -0.046 19285 372 1 . 1 1 65 65 MET H H 65 7.859 7.859 8.062 -0.203 19285 373 1 . 1 1 66 66 GLU N N 66 119.624 119.624 119.298 0.326 19285 374 1 . 1 1 66 66 GLU HA H 66 4.091 4.091 4.051 0.040 19285 375 1 . 1 1 66 66 GLU C C 66 177.017 177.017 177.829 -0.812 19285 376 1 . 1 1 66 66 GLU CA C 66 58.092 58.092 58.656 -0.564 19285 377 1 . 1 1 66 66 GLU CB C 66 29.619 29.619 29.566 0.053 19285 378 1 . 1 1 66 66 GLU H H 66 7.568 7.568 7.755 -0.187 19285 379 1 . 1 1 67 67 ASN N N 67 116.153 116.153 115.768 0.385 19285 380 1 . 1 1 67 67 ASN HA H 67 4.776 4.776 4.746 0.030 19285 381 1 . 1 1 67 67 ASN C C 67 175.231 175.231 175.431 -0.200 19285 382 1 . 1 1 67 67 ASN CA C 67 53.440 53.440 53.770 -0.330 19285 383 1 . 1 1 67 67 ASN CB C 67 39.284 39.284 39.362 -0.078 19285 384 1 . 1 1 67 67 ASN H H 67 7.819 7.819 7.836 -0.017 19285 385 1 . 1 1 68 68 VAL N N 68 119.217 119.217 120.550 -1.333 19285 386 1 . 1 1 68 68 VAL HA H 68 4.147 4.147 4.031 0.116 19285 387 1 . 1 1 68 68 VAL C C 68 175.101 175.101 175.453 -0.352 19285 388 1 . 1 1 68 68 VAL CA C 68 62.576 62.576 62.709 -0.133 19285 389 1 . 1 1 68 68 VAL CB C 68 32.250 32.250 32.351 -0.101 19285 390 1 . 1 1 68 68 VAL H H 68 7.641 7.641 7.612 0.029 19285 stop_ save_