data_18692 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18692 _Entry.PDB_ID 2LXR 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 18692 _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 LYS N N 2 127.399 127.399 120.474 6.925 18692 2 1 1 . 1 1 2 2 LYS HA H 2 3.954 3.954 4.709 -0.755 18692 3 1 1 . 1 1 2 2 LYS C C 2 175.826 175.826 175.093 0.733 18692 4 1 1 . 1 1 2 2 LYS CA C 2 57.475 57.475 55.857 1.618 18692 5 1 1 . 1 1 2 2 LYS CB C 2 34.009 34.009 33.112 0.897 18692 6 1 1 . 1 1 2 2 LYS H H 2 9.167 9.167 8.281 0.886 18692 7 1 1 . 1 1 3 3 ARG N N 3 121.207 121.207 118.469 2.738 18692 8 1 1 . 1 1 3 3 ARG HA H 3 4.797 4.797 4.801 -0.004 18692 9 1 1 . 1 1 3 3 ARG C C 3 176.719 176.719 174.247 2.472 18692 10 1 1 . 1 1 3 3 ARG CA C 3 54.082 54.082 55.273 -1.190 18692 11 1 1 . 1 1 3 3 ARG CB C 3 32.816 32.816 32.781 0.036 18692 12 1 1 . 1 1 3 3 ARG H H 3 7.705 7.705 7.701 0.004 18692 13 1 1 . 1 1 4 4 PHE N N 4 124.380 124.380 121.175 3.205 18692 14 1 1 . 1 1 4 4 PHE HA H 4 4.729 4.729 4.877 -0.148 18692 15 1 1 . 1 1 4 4 PHE C C 4 176.180 176.180 173.968 2.212 18692 16 1 1 . 1 1 4 4 PHE CA C 4 56.584 56.584 57.059 -0.475 18692 17 1 1 . 1 1 4 4 PHE CB C 4 41.758 41.758 42.976 -1.218 18692 18 1 1 . 1 1 4 4 PHE H H 4 8.913 8.913 9.546 -0.633 18692 19 1 1 . 1 1 5 5 ASP N N 5 123.331 123.331 128.634 -5.303 18692 20 1 1 . 1 1 5 5 ASP HA H 5 4.390 4.390 4.832 -0.442 18692 21 1 1 . 1 1 5 5 ASP C C 5 177.524 177.524 175.651 1.873 18692 22 1 1 . 1 1 5 5 ASP CA C 5 53.344 53.344 54.267 -0.923 18692 23 1 1 . 1 1 5 5 ASP CB C 5 41.043 41.043 40.486 0.557 18692 24 1 1 . 1 1 5 5 ASP H H 5 9.113 9.113 8.692 0.421 18692 25 1 1 . 1 1 6 6 LEU N N 6 122.540 122.540 123.651 -1.111 18692 26 1 1 . 1 1 6 6 LEU HA H 6 4.304 4.304 4.349 -0.045 18692 27 1 1 . 1 1 6 6 LEU CA C 6 55.260 55.260 55.667 -0.407 18692 28 1 1 . 1 1 6 6 LEU CB C 6 42.680 42.680 41.942 0.738 18692 29 1 1 . 1 1 6 6 LEU H H 6 8.305 8.305 8.024 0.281 18692 30 1 1 . 1 1 7 7 ARG N N 7 121.715 121.715 121.671 0.044 18692 31 1 1 . 1 1 7 7 ARG HA H 7 4.156 4.156 4.087 0.069 18692 32 1 1 . 1 1 7 7 ARG C C 7 177.664 177.664 175.643 2.021 18692 33 1 1 . 1 1 7 7 ARG CA C 7 56.463 56.463 61.267 -4.803 18692 34 1 1 . 1 1 7 7 ARG CB C 7 29.315 29.315 28.380 0.935 18692 35 1 1 . 1 1 7 7 ARG H H 7 8.293 8.293 8.473 -0.180 18692 36 1 1 . 1 1 8 8 PRO HA H 8 4.365 4.365 4.311 0.054 18692 37 1 1 . 1 1 8 8 PRO C C 8 178.886 178.886 176.843 2.043 18692 38 1 1 . 1 1 8 8 PRO CA C 8 65.193 65.193 64.463 0.730 18692 39 1 1 . 1 1 8 8 PRO CB C 8 31.566 31.566 31.367 0.199 18692 40 1 1 . 1 1 9 9 LEU N N 9 114.107 114.107 118.675 -4.568 18692 41 1 1 . 1 1 9 9 LEU HA H 9 4.175 4.175 4.418 -0.243 18692 42 1 1 . 1 1 9 9 LEU C C 9 178.897 178.897 175.800 3.097 18692 43 1 1 . 1 1 9 9 LEU CA C 9 54.878 54.878 54.128 0.750 18692 44 1 1 . 1 1 9 9 LEU CB C 9 41.222 41.222 41.926 -0.704 18692 45 1 1 . 1 1 9 9 LEU H H 9 7.310 7.310 7.570 -0.260 18692 46 1 1 . 1 1 10 10 LYS N N 10 116.563 116.563 116.443 0.120 18692 47 1 1 . 1 1 10 10 LYS HA H 10 3.823 3.823 3.857 -0.034 18692 48 1 1 . 1 1 10 10 LYS C C 10 178.805 178.805 174.776 4.029 18692 49 1 1 . 1 1 10 10 LYS CA C 10 57.693 57.693 57.710 -0.017 18692 50 1 1 . 1 1 10 10 LYS CB C 10 34.124 34.124 30.965 3.159 18692 51 1 1 . 1 1 10 10 LYS H H 10 8.132 8.132 7.325 0.807 18692 52 1 1 . 1 1 11 11 ALA N N 11 124.134 124.134 122.971 1.163 18692 53 1 1 . 1 1 11 11 ALA HA H 11 4.399 4.399 4.198 0.201 18692 54 1 1 . 1 1 11 11 ALA C C 11 178.877 178.877 178.022 0.855 18692 55 1 1 . 1 1 11 11 ALA CA C 11 53.292 53.292 51.385 1.907 18692 56 1 1 . 1 1 11 11 ALA CB C 11 19.310 19.310 19.874 -0.564 18692 57 1 1 . 1 1 11 11 ALA H H 11 8.239 8.239 8.049 0.190 18692 58 1 1 . 1 1 12 12 GLY N N 12 108.661 108.661 110.310 -1.649 18692 59 1 1 . 1 1 12 12 GLY C C 12 178.614 178.614 175.343 3.271 18692 60 1 1 . 1 1 12 12 GLY CA C 12 47.640 47.640 45.832 1.808 18692 61 1 1 . 1 1 12 12 GLY H H 12 8.186 8.186 9.087 -0.901 18692 62 1 1 . 1 1 13 13 ILE N N 13 123.465 123.465 123.162 0.303 18692 63 1 1 . 1 1 13 13 ILE HA H 13 4.150 4.150 4.260 -0.110 18692 64 1 1 . 1 1 13 13 ILE C C 13 177.234 177.234 176.706 0.528 18692 65 1 1 . 1 1 13 13 ILE CA C 13 60.500 60.500 62.511 -2.011 18692 66 1 1 . 1 1 13 13 ILE CB C 13 36.970 36.970 38.393 -1.423 18692 67 1 1 . 1 1 13 13 ILE H H 13 8.309 8.309 8.097 0.212 18692 68 1 1 . 1 1 14 14 PHE N N 14 119.560 119.560 119.993 -0.433 18692 69 1 1 . 1 1 14 14 PHE HA H 14 3.354 3.354 4.129 -0.775 18692 70 1 1 . 1 1 14 14 PHE C C 14 179.301 179.301 176.563 2.738 18692 71 1 1 . 1 1 14 14 PHE CA C 14 63.883 63.883 61.205 2.678 18692 72 1 1 . 1 1 14 14 PHE CB C 14 37.608 37.608 37.759 -0.151 18692 73 1 1 . 1 1 14 14 PHE H H 14 7.801 7.801 8.280 -0.479 18692 74 1 1 . 1 1 15 15 GLU N N 15 121.567 121.567 119.446 2.121 18692 75 1 1 . 1 1 15 15 GLU HA H 15 4.260 4.260 3.459 0.801 18692 76 1 1 . 1 1 15 15 GLU C C 15 181.428 181.428 177.203 4.225 18692 77 1 1 . 1 1 15 15 GLU CA C 15 60.579 60.579 57.673 2.906 18692 78 1 1 . 1 1 15 15 GLU CB C 15 28.158 28.158 28.656 -0.498 18692 79 1 1 . 1 1 15 15 GLU H H 15 8.331 8.331 8.162 0.169 18692 80 1 1 . 1 1 16 16 ARG N N 16 121.602 121.602 118.759 2.843 18692 81 1 1 . 1 1 16 16 ARG HA H 16 4.104 4.104 3.842 0.262 18692 82 1 1 . 1 1 16 16 ARG C C 16 179.418 179.418 178.381 1.037 18692 83 1 1 . 1 1 16 16 ARG CA C 16 56.877 56.877 58.153 -1.276 18692 84 1 1 . 1 1 16 16 ARG CB C 16 29.397 29.397 30.341 -0.944 18692 85 1 1 . 1 1 16 16 ARG H H 16 8.240 8.240 7.821 0.419 18692 86 1 1 . 1 1 17 17 LEU N N 17 119.769 119.769 120.213 -0.444 18692 87 1 1 . 1 1 17 17 LEU HA H 17 3.619 3.619 4.193 -0.574 18692 88 1 1 . 1 1 17 17 LEU C C 17 179.136 179.136 178.116 1.020 18692 89 1 1 . 1 1 17 17 LEU CA C 17 59.104 59.104 56.728 2.376 18692 90 1 1 . 1 1 17 17 LEU CB C 17 42.770 42.770 41.647 1.123 18692 91 1 1 . 1 1 17 17 LEU H H 17 8.134 8.134 8.139 -0.005 18692 92 1 1 . 1 1 18 18 GLU N N 18 115.547 115.547 118.730 -3.183 18692 93 1 1 . 1 1 18 18 GLU HA H 18 3.889 3.889 3.451 0.438 18692 94 1 1 . 1 1 18 18 GLU C C 18 179.643 179.643 178.298 1.345 18692 95 1 1 . 1 1 18 18 GLU CA C 18 59.929 59.929 59.801 0.128 18692 96 1 1 . 1 1 18 18 GLU CB C 18 29.170 29.170 28.910 0.260 18692 97 1 1 . 1 1 18 18 GLU H H 18 7.674 7.674 7.534 0.140 18692 98 1 1 . 1 1 19 19 GLU N N 19 119.211 119.211 118.372 0.839 18692 99 1 1 . 1 1 19 19 GLU HA H 19 4.047 4.047 4.024 0.023 18692 100 1 1 . 1 1 19 19 GLU C C 19 180.374 180.374 178.089 2.285 18692 101 1 1 . 1 1 19 19 GLU CA C 19 59.441 59.441 58.552 0.889 18692 102 1 1 . 1 1 19 19 GLU CB C 19 30.269 30.269 29.362 0.907 18692 103 1 1 . 1 1 19 19 GLU H H 19 7.782 7.782 7.547 0.235 18692 104 1 1 . 1 1 20 20 LEU N N 20 119.264 119.264 120.131 -0.867 18692 105 1 1 . 1 1 20 20 LEU HA H 20 3.761 3.761 3.985 -0.224 18692 106 1 1 . 1 1 20 20 LEU C C 20 181.666 181.666 178.799 2.867 18692 107 1 1 . 1 1 20 20 LEU CA C 20 57.862 57.862 57.643 0.219 18692 108 1 1 . 1 1 20 20 LEU CB C 20 42.111 42.111 42.138 -0.027 18692 109 1 1 . 1 1 20 20 LEU H H 20 8.507 8.507 7.661 0.846 18692 110 1 1 . 1 1 21 21 ILE N N 21 117.879 117.879 117.736 0.143 18692 111 1 1 . 1 1 21 21 ILE HA H 21 3.697 3.697 3.764 -0.067 18692 112 1 1 . 1 1 21 21 ILE C C 21 181.696 181.696 176.876 4.820 18692 113 1 1 . 1 1 21 21 ILE CA C 21 65.174 65.174 62.227 2.947 18692 114 1 1 . 1 1 21 21 ILE CB C 21 38.420 38.420 37.564 0.856 18692 115 1 1 . 1 1 21 21 ILE H H 21 7.750 7.750 7.076 0.674 18692 116 1 1 . 1 1 22 22 GLU N N 22 116.656 116.656 119.543 -2.887 18692 117 1 1 . 1 1 22 22 GLU HA H 22 3.891 3.891 3.983 -0.092 18692 118 1 1 . 1 1 22 22 GLU C C 22 180.424 180.424 177.953 2.471 18692 119 1 1 . 1 1 22 22 GLU CA C 22 59.864 59.864 58.786 1.078 18692 120 1 1 . 1 1 22 22 GLU CB C 22 30.047 30.047 28.943 1.104 18692 121 1 1 . 1 1 22 22 GLU H H 22 8.203 8.203 7.536 0.667 18692 122 1 1 . 1 1 23 23 LYS N N 23 113.426 113.426 117.093 -3.667 18692 123 1 1 . 1 1 23 23 LYS HA H 23 4.392 4.392 4.102 0.290 18692 124 1 1 . 1 1 23 23 LYS C C 23 180.639 180.639 178.025 2.614 18692 125 1 1 . 1 1 23 23 LYS CA C 23 57.952 57.952 58.416 -0.464 18692 126 1 1 . 1 1 23 23 LYS CB C 23 34.655 34.655 32.469 2.186 18692 127 1 1 . 1 1 23 23 LYS H H 23 8.713 8.713 7.330 1.383 18692 128 1 1 . 1 1 24 24 GLU N N 24 115.943 115.943 117.393 -1.450 18692 129 1 1 . 1 1 24 24 GLU HA H 24 4.730 4.730 4.171 0.559 18692 130 1 1 . 1 1 24 24 GLU C C 24 177.407 177.407 177.366 0.041 18692 131 1 1 . 1 1 24 24 GLU CA C 24 56.241 56.241 57.338 -1.097 18692 132 1 1 . 1 1 24 24 GLU CB C 24 30.664 30.664 30.388 0.276 18692 133 1 1 . 1 1 24 24 GLU H H 24 8.225 8.225 7.703 0.522 18692 134 1 1 . 1 1 25 25 MET N N 25 115.075 115.075 117.910 -2.835 18692 135 1 1 . 1 1 25 25 MET HA H 25 4.832 4.832 4.251 0.581 18692 136 1 1 . 1 1 25 25 MET C C 25 177.286 177.286 176.370 0.916 18692 137 1 1 . 1 1 25 25 MET CA C 25 55.022 55.022 55.087 -0.065 18692 138 1 1 . 1 1 25 25 MET CB C 25 37.416 37.416 32.171 5.245 18692 139 1 1 . 1 1 25 25 MET H H 25 6.860 6.860 7.541 -0.681 18692 140 1 1 . 1 1 26 26 GLN N N 26 122.801 122.801 121.166 1.635 18692 141 1 1 . 1 1 26 26 GLN HA H 26 4.345 4.345 4.364 -0.019 18692 142 1 1 . 1 1 26 26 GLN C C 26 175.718 175.718 176.324 -0.606 18692 143 1 1 . 1 1 26 26 GLN CA C 26 52.909 52.909 55.763 -2.854 18692 144 1 1 . 1 1 26 26 GLN CB C 26 28.417 28.417 28.910 -0.493 18692 145 1 1 . 1 1 26 26 GLN H H 26 9.264 9.264 8.113 1.151 18692 146 1 1 . 1 1 27 27 PRO HA H 27 3.915 3.915 4.390 -0.475 18692 147 1 1 . 1 1 27 27 PRO C C 27 177.450 177.450 175.810 1.640 18692 148 1 1 . 1 1 27 27 PRO CA C 27 64.908 64.908 64.572 0.336 18692 149 1 1 . 1 1 27 27 PRO CB C 27 31.265 31.265 31.821 -0.556 18692 150 1 1 . 1 1 28 28 ASN N N 28 118.995 118.995 113.680 5.315 18692 151 1 1 . 1 1 28 28 ASN HA H 28 4.475 4.475 5.292 -0.817 18692 152 1 1 . 1 1 28 28 ASN C C 28 179.421 179.421 173.992 5.429 18692 153 1 1 . 1 1 28 28 ASN CA C 28 55.368 55.368 52.717 2.651 18692 154 1 1 . 1 1 28 28 ASN CB C 28 38.967 38.967 39.960 -0.993 18692 155 1 1 . 1 1 28 28 ASN H H 28 8.458 8.458 8.135 0.323 18692 156 1 1 . 1 1 29 29 GLU N N 29 123.128 123.128 119.017 4.111 18692 157 1 1 . 1 1 29 29 GLU HA H 29 4.291 4.291 4.616 -0.325 18692 158 1 1 . 1 1 29 29 GLU C C 29 175.883 175.883 174.204 1.679 18692 159 1 1 . 1 1 29 29 GLU CA C 29 56.876 56.876 55.101 1.775 18692 160 1 1 . 1 1 29 29 GLU CB C 29 31.863 31.863 33.848 -1.985 18692 161 1 1 . 1 1 29 29 GLU H H 29 8.294 8.294 7.572 0.722 18692 162 1 1 . 1 1 30 30 VAL N N 30 123.635 123.635 121.057 2.578 18692 163 1 1 . 1 1 30 30 VAL HA H 30 5.293 5.293 4.736 0.557 18692 164 1 1 . 1 1 30 30 VAL C C 30 177.201 177.201 174.902 2.299 18692 165 1 1 . 1 1 30 30 VAL CA C 30 60.562 60.562 60.767 -0.205 18692 166 1 1 . 1 1 30 30 VAL CB C 30 33.419 33.419 33.986 -0.567 18692 167 1 1 . 1 1 30 30 VAL H H 30 8.067 8.067 8.440 -0.373 18692 168 1 1 . 1 1 31 31 ALA N N 31 127.391 127.391 130.490 -3.099 18692 169 1 1 . 1 1 31 31 ALA HA H 31 4.919 4.919 4.896 0.023 18692 170 1 1 . 1 1 31 31 ALA C C 31 176.179 176.179 176.039 0.140 18692 171 1 1 . 1 1 31 31 ALA CA C 31 51.470 51.470 49.955 1.515 18692 172 1 1 . 1 1 31 31 ALA CB C 31 24.772 24.772 21.352 3.420 18692 173 1 1 . 1 1 31 31 ALA H H 31 9.086 9.086 8.375 0.711 18692 174 1 1 . 1 1 32 32 ILE N N 32 118.468 118.468 126.021 -7.553 18692 175 1 1 . 1 1 32 32 ILE HA H 32 5.102 5.102 4.527 0.575 18692 176 1 1 . 1 1 32 32 ILE C C 32 176.300 176.300 174.747 1.553 18692 177 1 1 . 1 1 32 32 ILE CA C 32 59.604 59.604 60.857 -1.253 18692 178 1 1 . 1 1 32 32 ILE CB C 32 41.416 41.416 38.693 2.723 18692 179 1 1 . 1 1 32 32 ILE H H 32 8.175 8.175 8.294 -0.119 18692 180 1 1 . 1 1 33 33 PHE N N 33 123.926 123.926 128.081 -4.155 18692 181 1 1 . 1 1 33 33 PHE HA H 33 5.407 5.407 5.502 -0.095 18692 182 1 1 . 1 1 33 33 PHE C C 33 176.695 176.695 176.069 0.626 18692 183 1 1 . 1 1 33 33 PHE CA C 33 56.627 56.627 55.141 1.486 18692 184 1 1 . 1 1 33 33 PHE CB C 33 41.583 41.583 39.925 1.658 18692 185 1 1 . 1 1 33 33 PHE H H 33 9.277 9.277 8.888 0.389 18692 186 1 1 . 1 1 34 34 MET N N 34 120.519 120.519 123.716 -3.197 18692 187 1 1 . 1 1 34 34 MET HA H 34 5.517 5.517 5.447 0.070 18692 188 1 1 . 1 1 34 34 MET C C 34 177.123 177.123 175.611 1.512 18692 189 1 1 . 1 1 34 34 MET CA C 34 53.515 53.515 55.502 -1.987 18692 190 1 1 . 1 1 34 34 MET CB C 34 36.447 36.447 33.599 2.848 18692 191 1 1 . 1 1 34 34 MET H H 34 8.606 8.606 8.904 -0.298 18692 192 1 1 . 1 1 35 35 PHE N N 35 118.119 118.119 120.149 -2.030 18692 193 1 1 . 1 1 35 35 PHE HA H 35 4.642 4.642 5.198 -0.556 18692 194 1 1 . 1 1 35 35 PHE C C 35 175.188 175.188 174.497 0.691 18692 195 1 1 . 1 1 35 35 PHE CA C 35 56.100 56.100 55.622 0.478 18692 196 1 1 . 1 1 35 35 PHE CB C 35 41.450 41.450 41.148 0.302 18692 197 1 1 . 1 1 35 35 PHE H H 35 8.832 8.832 8.741 0.091 18692 198 1 1 . 1 1 36 36 GLU N N 36 120.598 120.598 124.340 -3.742 18692 199 1 1 . 1 1 36 36 GLU HA H 36 4.890 4.890 4.214 0.676 18692 200 1 1 . 1 1 36 36 GLU C C 36 179.258 179.258 175.899 3.359 18692 201 1 1 . 1 1 36 36 GLU CA C 36 57.184 57.184 56.852 0.332 18692 202 1 1 . 1 1 36 36 GLU CB C 36 30.844 30.844 29.720 1.124 18692 203 1 1 . 1 1 36 36 GLU H H 36 9.421 9.421 8.821 0.600 18692 204 1 1 . 1 1 37 37 VAL N N 37 122.817 122.817 119.967 2.850 18692 205 1 1 . 1 1 37 37 VAL HA H 37 4.230 4.230 4.180 0.050 18692 206 1 1 . 1 1 37 37 VAL C C 37 176.550 176.550 177.211 -0.661 18692 207 1 1 . 1 1 37 37 VAL CA C 37 65.923 65.923 62.753 3.170 18692 208 1 1 . 1 1 37 37 VAL H H 37 9.005 9.005 7.516 1.489 18692 209 1 1 . 1 1 38 38 GLY N N 38 109.660 109.660 110.886 -1.226 18692 210 1 1 . 1 1 38 38 GLY C C 38 173.860 173.860 174.476 -0.616 18692 211 1 1 . 1 1 38 38 GLY CA C 38 44.560 44.560 45.702 -1.142 18692 212 1 1 . 1 1 38 38 GLY H H 38 8.440 8.440 8.802 -0.362 18692 213 1 1 . 1 1 39 39 ASP N N 39 119.440 119.440 121.388 -1.948 18692 214 1 1 . 1 1 39 39 ASP HA H 39 4.910 4.910 4.471 0.439 18692 215 1 1 . 1 1 39 39 ASP C C 39 177.550 177.550 176.203 1.347 18692 216 1 1 . 1 1 39 39 ASP CA C 39 54.420 54.420 54.571 -0.151 18692 217 1 1 . 1 1 39 39 ASP CB C 39 37.150 37.150 39.329 -2.179 18692 218 1 1 . 1 1 39 39 ASP H H 39 8.330 8.330 7.809 0.521 18692 219 1 1 . 1 1 40 40 PHE N N 40 123.361 123.361 121.671 1.690 18692 220 1 1 . 1 1 40 40 PHE HA H 40 4.620 4.620 4.309 0.311 18692 221 1 1 . 1 1 40 40 PHE CA C 40 56.250 56.250 58.918 -2.668 18692 222 1 1 . 1 1 40 40 PHE CB C 40 36.150 36.150 39.072 -2.922 18692 223 1 1 . 1 1 40 40 PHE H H 40 7.949 7.949 7.675 0.274 18692 224 1 1 . 1 1 41 41 SER N N 41 121.483 121.483 115.958 5.525 18692 225 1 1 . 1 1 41 41 SER HA H 41 4.492 4.492 3.840 0.652 18692 226 1 1 . 1 1 41 41 SER C C 41 174.554 174.554 175.873 -1.319 18692 227 1 1 . 1 1 41 41 SER CA C 41 59.660 59.660 60.203 -0.543 18692 228 1 1 . 1 1 41 41 SER CB C 41 63.220 63.220 62.257 0.963 18692 229 1 1 . 1 1 41 41 SER H H 41 8.519 8.519 7.736 0.783 18692 230 1 1 . 1 1 42 42 ASN N N 42 118.920 118.920 119.645 -0.725 18692 231 1 1 . 1 1 42 42 ASN HA H 42 4.910 4.910 4.606 0.304 18692 232 1 1 . 1 1 42 42 ASN CA C 42 53.490 53.490 55.166 -1.676 18692 233 1 1 . 1 1 42 42 ASN CB C 42 38.120 38.120 38.501 -0.381 18692 234 1 1 . 1 1 42 42 ASN H H 42 8.330 8.330 8.229 0.101 18692 235 1 1 . 1 1 43 43 ILE N N 43 121.540 121.540 121.258 0.282 18692 236 1 1 . 1 1 43 43 ILE HA H 43 4.180 4.180 3.910 0.270 18692 237 1 1 . 1 1 43 43 ILE CA C 43 60.110 60.110 66.106 -5.996 18692 238 1 1 . 1 1 43 43 ILE CB C 43 38.440 38.440 35.053 3.387 18692 239 1 1 . 1 1 43 43 ILE H H 43 8.293 8.293 7.132 1.161 18692 240 1 1 . 1 1 44 44 PRO HA H 44 4.461 4.461 4.398 0.063 18692 241 1 1 . 1 1 44 44 PRO C C 44 176.465 176.465 178.658 -2.193 18692 242 1 1 . 1 1 44 44 PRO CA C 44 65.358 65.358 65.285 0.073 18692 243 1 1 . 1 1 44 44 PRO CB C 44 30.441 30.441 31.076 -0.635 18692 244 1 1 . 1 1 45 45 LYS N N 45 116.236 116.236 119.447 -3.211 18692 245 1 1 . 1 1 45 45 LYS HA H 45 4.128 4.128 4.026 0.102 18692 246 1 1 . 1 1 45 45 LYS C C 45 181.467 181.467 178.667 2.800 18692 247 1 1 . 1 1 45 45 LYS CA C 45 59.712 59.712 59.351 0.361 18692 248 1 1 . 1 1 45 45 LYS CB C 45 33.281 33.281 32.116 1.165 18692 249 1 1 . 1 1 45 45 LYS H H 45 7.270 7.270 7.511 -0.241 18692 250 1 1 . 1 1 46 46 SER N N 46 116.059 116.059 115.514 0.545 18692 251 1 1 . 1 1 46 46 SER HA H 46 4.080 4.080 4.296 -0.216 18692 252 1 1 . 1 1 46 46 SER C C 46 177.432 177.432 177.032 0.400 18692 253 1 1 . 1 1 46 46 SER CA C 46 63.202 63.202 60.986 2.216 18692 254 1 1 . 1 1 46 46 SER CB C 46 62.118 62.118 62.903 -0.785 18692 255 1 1 . 1 1 46 46 SER H H 46 8.293 8.293 7.725 0.568 18692 256 1 1 . 1 1 47 47 ALA N N 47 126.579 126.579 123.777 2.802 18692 257 1 1 . 1 1 47 47 ALA HA H 47 4.128 4.128 4.018 0.110 18692 258 1 1 . 1 1 47 47 ALA C C 47 181.528 181.528 178.313 3.215 18692 259 1 1 . 1 1 47 47 ALA CA C 47 55.704 55.704 54.596 1.108 18692 260 1 1 . 1 1 47 47 ALA CB C 47 18.326 18.326 18.193 0.133 18692 261 1 1 . 1 1 47 47 ALA H H 47 6.990 6.990 7.656 -0.666 18692 262 1 1 . 1 1 48 48 GLU N N 48 117.980 117.980 117.515 0.465 18692 263 1 1 . 1 1 48 48 GLU HA H 48 4.062 4.062 2.842 1.220 18692 264 1 1 . 1 1 48 48 GLU C C 48 180.822 180.822 177.236 3.586 18692 265 1 1 . 1 1 48 48 GLU CA C 48 59.100 59.100 57.441 1.659 18692 266 1 1 . 1 1 48 48 GLU CB C 48 29.770 29.770 29.362 0.408 18692 267 1 1 . 1 1 48 48 GLU H H 48 7.863 7.863 7.321 0.542 18692 268 1 1 . 1 1 49 49 PHE N N 49 122.179 122.179 117.183 4.996 18692 269 1 1 . 1 1 49 49 PHE HA H 49 4.117 4.117 4.148 -0.031 18692 270 1 1 . 1 1 49 49 PHE C C 49 179.580 179.580 176.908 2.672 18692 271 1 1 . 1 1 49 49 PHE CA C 49 57.813 57.813 60.435 -2.622 18692 272 1 1 . 1 1 49 49 PHE CB C 49 41.695 41.695 39.106 2.589 18692 273 1 1 . 1 1 49 49 PHE H H 49 8.341 8.341 7.631 0.710 18692 274 1 1 . 1 1 50 50 ILE N N 50 117.469 117.469 117.158 0.311 18692 275 1 1 . 1 1 50 50 ILE HA H 50 3.533 3.533 3.944 -0.411 18692 276 1 1 . 1 1 50 50 ILE C C 50 179.698 179.698 176.342 3.356 18692 277 1 1 . 1 1 50 50 ILE CA C 50 62.884 62.884 63.009 -0.125 18692 278 1 1 . 1 1 50 50 ILE CB C 50 36.669 36.669 38.077 -1.408 18692 279 1 1 . 1 1 50 50 ILE H H 50 8.322 8.322 7.243 1.079 18692 280 1 1 . 1 1 51 51 GLN N N 51 117.190 117.190 116.836 0.354 18692 281 1 1 . 1 1 51 51 GLN HA H 51 4.261 4.261 4.499 -0.238 18692 282 1 1 . 1 1 51 51 GLN C C 51 182.627 182.627 175.345 7.282 18692 283 1 1 . 1 1 51 51 GLN CA C 51 58.862 58.862 55.108 3.754 18692 284 1 1 . 1 1 51 51 GLN CB C 51 28.451 28.451 31.634 -3.183 18692 285 1 1 . 1 1 51 51 GLN H H 51 7.887 7.887 7.725 0.162 18692 286 1 1 . 1 1 52 52 SER N N 52 117.670 117.670 119.224 -1.554 18692 287 1 1 . 1 1 52 52 SER HA H 52 4.137 4.137 4.232 -0.095 18692 288 1 1 . 1 1 52 52 SER CA C 52 61.401 61.401 60.899 0.502 18692 289 1 1 . 1 1 52 52 SER CB C 52 62.615 62.615 63.535 -0.920 18692 290 1 1 . 1 1 52 52 SER H H 52 8.556 8.556 8.675 -0.119 18692 291 1 1 . 1 1 53 53 LYS N N 53 119.008 119.008 119.797 -0.789 18692 292 1 1 . 1 1 53 53 LYS HA H 53 4.170 4.170 4.430 -0.260 18692 293 1 1 . 1 1 53 53 LYS C C 53 177.911 177.911 175.653 2.258 18692 294 1 1 . 1 1 53 53 LYS CA C 53 54.662 54.662 56.054 -1.392 18692 295 1 1 . 1 1 53 53 LYS CB C 53 32.652 32.652 33.483 -0.831 18692 296 1 1 . 1 1 53 53 LYS H H 53 7.064 7.064 8.297 -1.233 18692 297 1 1 . 1 1 54 54 GLY N N 54 105.188 105.188 112.187 -6.999 18692 298 1 1 . 1 1 54 54 GLY C C 54 175.528 175.528 173.677 1.851 18692 299 1 1 . 1 1 54 54 GLY CA C 54 45.118 45.118 45.570 -0.452 18692 300 1 1 . 1 1 54 54 GLY H H 54 7.548 7.548 8.679 -1.131 18692 301 1 1 . 1 1 55 55 HIS N N 55 118.294 118.294 122.316 -4.022 18692 302 1 1 . 1 1 55 55 HIS HA H 55 4.947 4.947 4.873 0.074 18692 303 1 1 . 1 1 55 55 HIS C C 55 175.240 175.240 174.405 0.835 18692 304 1 1 . 1 1 55 55 HIS CA C 55 54.847 54.847 55.463 -0.616 18692 305 1 1 . 1 1 55 55 HIS CB C 55 31.315 31.315 29.307 2.008 18692 306 1 1 . 1 1 55 55 HIS H H 55 6.998 6.998 8.170 -1.172 18692 307 1 1 . 1 1 56 56 GLU N N 56 118.205 118.205 126.174 -7.969 18692 308 1 1 . 1 1 56 56 GLU HA H 56 4.666 4.666 4.417 0.249 18692 309 1 1 . 1 1 56 56 GLU C C 56 176.766 176.766 174.917 1.849 18692 310 1 1 . 1 1 56 56 GLU CA C 56 55.162 55.162 55.203 -0.041 18692 311 1 1 . 1 1 56 56 GLU CB C 56 33.110 33.110 32.540 0.570 18692 312 1 1 . 1 1 56 56 GLU H H 56 8.509 8.509 8.054 0.455 18692 313 1 1 . 1 1 57 57 LEU N N 57 127.769 127.769 127.189 0.580 18692 314 1 1 . 1 1 57 57 LEU HA H 57 4.786 4.786 4.643 0.143 18692 315 1 1 . 1 1 57 57 LEU C C 57 177.854 177.854 177.819 0.035 18692 316 1 1 . 1 1 57 57 LEU CA C 57 53.780 53.780 54.055 -0.275 18692 317 1 1 . 1 1 57 57 LEU CB C 57 42.676 42.676 40.153 2.523 18692 318 1 1 . 1 1 57 57 LEU H H 57 8.978 8.978 8.768 0.210 18692 319 1 1 . 1 1 58 58 LEU N N 58 128.364 128.364 127.227 1.137 18692 320 1 1 . 1 1 58 58 LEU HA H 58 4.402 4.402 4.044 0.358 18692 321 1 1 . 1 1 58 58 LEU C C 58 179.469 179.469 177.249 2.220 18692 322 1 1 . 1 1 58 58 LEU CA C 58 56.534 56.534 57.282 -0.749 18692 323 1 1 . 1 1 58 58 LEU CB C 58 42.371 42.371 42.824 -0.453 18692 324 1 1 . 1 1 58 58 LEU H H 58 9.128 9.128 8.351 0.777 18692 325 1 1 . 1 1 59 59 ASN N N 59 113.622 113.622 113.704 -0.082 18692 326 1 1 . 1 1 59 59 ASN HA H 59 4.918 4.918 4.816 0.102 18692 327 1 1 . 1 1 59 59 ASN C C 59 175.560 175.560 174.027 1.533 18692 328 1 1 . 1 1 59 59 ASN CA C 59 52.389 52.389 53.518 -1.129 18692 329 1 1 . 1 1 59 59 ASN CB C 59 41.887 41.887 39.706 2.181 18692 330 1 1 . 1 1 59 59 ASN H H 59 7.574 7.574 7.818 -0.244 18692 331 1 1 . 1 1 60 60 SER N N 60 118.134 118.134 116.873 1.261 18692 332 1 1 . 1 1 60 60 SER HA H 60 4.045 4.045 4.526 -0.481 18692 333 1 1 . 1 1 60 60 SER CA C 60 56.925 56.925 59.302 -2.377 18692 334 1 1 . 1 1 60 60 SER CB C 60 63.649 63.649 63.904 -0.255 18692 335 1 1 . 1 1 60 60 SER H H 60 8.436 8.436 8.567 -0.131 18692 336 1 1 . 1 1 61 61 LEU N N 61 128.266 128.266 120.685 7.581 18692 337 1 1 . 1 1 61 61 LEU HA H 61 4.219 4.219 5.024 -0.805 18692 338 1 1 . 1 1 61 61 LEU CA C 61 55.106 55.106 55.747 -0.641 18692 339 1 1 . 1 1 61 61 LEU CB C 61 44.577 44.577 42.956 1.621 18692 340 1 1 . 1 1 61 61 LEU H H 61 8.725 8.725 7.922 0.803 18692 341 1 1 . 1 1 62 62 ARG N N 62 122.383 122.383 124.861 -2.478 18692 342 1 1 . 1 1 62 62 ARG HA H 62 4.312 4.312 4.379 -0.067 18692 343 1 1 . 1 1 62 62 ARG C C 62 176.560 176.560 175.274 1.286 18692 344 1 1 . 1 1 62 62 ARG CA C 62 57.290 57.290 53.094 4.196 18692 345 1 1 . 1 1 62 62 ARG CB C 62 30.828 30.828 29.672 1.155 18692 346 1 1 . 1 1 62 62 ARG H H 62 7.303 7.303 8.455 -1.152 18692 347 1 1 . 1 1 63 63 PHE N N 63 120.560 120.560 120.154 0.406 18692 348 1 1 . 1 1 63 63 PHE HA H 63 4.613 4.613 4.490 0.123 18692 349 1 1 . 1 1 63 63 PHE CA C 63 61.377 61.377 58.682 2.695 18692 350 1 1 . 1 1 63 63 PHE CB C 63 39.908 39.908 38.393 1.515 18692 351 1 1 . 1 1 63 63 PHE H H 63 8.321 8.321 8.452 -0.131 18692 352 1 1 . 1 1 64 64 ASN N N 64 117.616 117.616 121.856 -4.240 18692 353 1 1 . 1 1 64 64 ASN HA H 64 4.377 4.377 4.389 -0.012 18692 354 1 1 . 1 1 64 64 ASN C C 64 176.642 176.642 174.577 2.065 18692 355 1 1 . 1 1 64 64 ASN CA C 64 53.465 53.465 53.348 0.117 18692 356 1 1 . 1 1 64 64 ASN CB C 64 37.450 37.450 38.793 -1.343 18692 357 1 1 . 1 1 64 64 ASN H H 64 8.101 8.101 8.524 -0.423 18692 358 1 1 . 1 1 65 65 GLN N N 65 115.548 115.548 119.988 -4.440 18692 359 1 1 . 1 1 65 65 GLN HA H 65 4.275 4.275 4.559 -0.284 18692 360 1 1 . 1 1 65 65 GLN C C 65 178.411 178.411 174.919 3.492 18692 361 1 1 . 1 1 65 65 GLN CA C 65 59.127 59.127 54.504 4.623 18692 362 1 1 . 1 1 65 65 GLN CB C 65 28.650 28.650 30.581 -1.931 18692 363 1 1 . 1 1 65 65 GLN H H 65 8.330 8.330 7.596 0.734 18692 364 1 1 . 1 1 66 66 ALA N N 66 120.802 120.802 123.434 -2.632 18692 365 1 1 . 1 1 66 66 ALA HA H 66 4.652 4.652 4.211 0.441 18692 366 1 1 . 1 1 66 66 ALA C C 66 178.893 178.893 177.002 1.891 18692 367 1 1 . 1 1 66 66 ALA CA C 66 52.751 52.751 52.514 0.237 18692 368 1 1 . 1 1 66 66 ALA CB C 66 21.705 21.705 19.113 2.592 18692 369 1 1 . 1 1 66 66 ALA H H 66 8.346 8.346 8.253 0.093 18692 370 1 1 . 1 1 67 67 ASP N N 67 118.909 118.909 119.710 -0.801 18692 371 1 1 . 1 1 67 67 ASP HA H 67 4.612 4.612 4.366 0.246 18692 372 1 1 . 1 1 67 67 ASP C C 67 175.639 175.639 175.382 0.257 18692 373 1 1 . 1 1 67 67 ASP CA C 67 54.726 54.726 55.092 -0.366 18692 374 1 1 . 1 1 67 67 ASP CB C 67 45.152 45.152 41.206 3.946 18692 375 1 1 . 1 1 67 67 ASP H H 67 8.117 8.117 8.207 -0.090 18692 376 1 1 . 1 1 68 68 TRP HA H 68 4.477 4.477 4.845 -0.368 18692 377 1 1 . 1 1 68 68 TRP CA C 68 56.253 56.253 56.032 0.220 18692 378 1 1 . 1 1 68 68 TRP CB C 68 33.719 33.719 33.757 -0.038 18692 379 1 1 . 1 1 68 68 TRP H H 68 8.310 8.310 7.862 0.448 18692 380 1 1 . 1 1 69 69 THR N N 69 114.495 114.495 110.714 3.781 18692 381 1 1 . 1 1 69 69 THR HA H 69 5.605 5.605 5.037 0.568 18692 382 1 1 . 1 1 69 69 THR C C 69 176.005 176.005 173.098 2.907 18692 383 1 1 . 1 1 69 69 THR CA C 69 58.855 58.855 60.371 -1.516 18692 384 1 1 . 1 1 69 69 THR CB C 69 72.755 72.755 71.483 1.272 18692 385 1 1 . 1 1 69 69 THR H H 69 7.985 7.985 8.573 -0.588 18692 386 1 1 . 1 1 70 70 ILE N N 70 114.448 114.448 122.634 -8.186 18692 387 1 1 . 1 1 70 70 ILE HA H 70 5.384 5.384 4.746 0.638 18692 388 1 1 . 1 1 70 70 ILE C C 70 175.751 175.751 173.444 2.307 18692 389 1 1 . 1 1 70 70 ILE CA C 70 59.637 59.637 59.139 0.498 18692 390 1 1 . 1 1 70 70 ILE CB C 70 41.689 41.689 42.203 -0.514 18692 391 1 1 . 1 1 70 70 ILE H H 70 8.807 8.807 8.469 0.338 18692 392 1 1 . 1 1 71 71 VAL N N 71 124.084 124.084 125.210 -1.126 18692 393 1 1 . 1 1 71 71 VAL HA H 71 5.012 5.012 4.613 0.399 18692 394 1 1 . 1 1 71 71 VAL C C 71 177.625 177.625 174.622 3.003 18692 395 1 1 . 1 1 71 71 VAL CA C 71 61.647 61.647 60.833 0.814 18692 396 1 1 . 1 1 71 71 VAL CB C 71 32.482 32.482 32.394 0.088 18692 397 1 1 . 1 1 71 71 VAL H H 71 8.500 8.500 8.381 0.119 18692 398 1 1 . 1 1 72 72 VAL N N 72 127.753 127.753 123.900 3.853 18692 399 1 1 . 1 1 72 72 VAL HA H 72 5.147 5.147 4.444 0.703 18692 400 1 1 . 1 1 72 72 VAL C C 72 175.444 175.444 175.109 0.335 18692 401 1 1 . 1 1 72 72 VAL CA C 72 60.252 60.252 60.451 -0.199 18692 402 1 1 . 1 1 72 72 VAL CB C 72 37.425 37.425 33.952 3.473 18692 403 1 1 . 1 1 72 72 VAL H H 72 9.280 9.280 8.211 1.069 18692 404 1 1 . 1 1 73 73 ARG N N 73 125.839 125.839 126.706 -0.867 18692 405 1 1 . 1 1 73 73 ARG HA H 73 5.458 5.458 5.165 0.293 18692 406 1 1 . 1 1 73 73 ARG C C 73 177.981 177.981 175.910 2.071 18692 407 1 1 . 1 1 73 73 ARG CA C 73 53.788 53.788 54.295 -0.507 18692 408 1 1 . 1 1 73 73 ARG CB C 73 33.855 33.855 31.735 2.120 18692 409 1 1 . 1 1 73 73 ARG H H 73 9.194 9.194 8.216 0.978 18692 410 1 1 . 1 1 74 74 LYS N N 74 129.522 129.522 124.998 4.524 18692 411 1 1 . 1 1 74 74 LYS HA H 74 4.323 4.323 4.469 -0.146 18692 412 1 1 . 1 1 74 74 LYS C C 74 178.340 178.340 176.615 1.725 18692 413 1 1 . 1 1 74 74 LYS CA C 74 55.983 55.983 56.046 -0.063 18692 414 1 1 . 1 1 74 74 LYS CB C 74 33.103 33.103 34.146 -1.043 18692 415 1 1 . 1 1 74 74 LYS H H 74 10.930 10.930 8.166 2.764 18692 416 1 1 . 1 1 75 75 LYS N N 75 131.817 131.817 118.618 13.199 18692 417 1 1 . 1 1 75 75 LYS HA H 75 4.489 4.489 4.536 -0.047 18692 418 1 1 . 1 1 75 75 LYS CA C 75 55.927 55.927 56.771 -0.844 18692 419 1 1 . 1 1 75 75 LYS CB C 75 29.730 29.730 34.215 -4.485 18692 420 1 1 . 1 1 75 75 LYS H H 75 10.873 10.873 8.624 2.249 18692 421 1 2 . 1 1 2 2 LYS N N 2 127.399 127.399 120.410 6.989 18692 422 1 2 . 1 1 2 2 LYS HA H 2 3.954 3.954 4.738 -0.784 18692 423 1 2 . 1 1 2 2 LYS C C 2 175.826 175.826 174.844 0.982 18692 424 1 2 . 1 1 2 2 LYS CA C 2 57.475 57.475 55.652 1.823 18692 425 1 2 . 1 1 2 2 LYS CB C 2 34.009 34.009 33.349 0.660 18692 426 1 2 . 1 1 2 2 LYS H H 2 9.167 9.167 8.465 0.702 18692 427 1 2 . 1 1 3 3 ARG N N 3 121.207 121.207 118.406 2.801 18692 428 1 2 . 1 1 3 3 ARG HA H 3 4.797 4.797 4.828 -0.031 18692 429 1 2 . 1 1 3 3 ARG C C 3 176.719 176.719 174.217 2.502 18692 430 1 2 . 1 1 3 3 ARG CA C 3 54.082 54.082 55.245 -1.163 18692 431 1 2 . 1 1 3 3 ARG CB C 3 32.816 32.816 32.791 0.025 18692 432 1 2 . 1 1 3 3 ARG H H 3 7.705 7.705 7.774 -0.069 18692 433 1 2 . 1 1 4 4 PHE N N 4 124.380 124.380 121.260 3.120 18692 434 1 2 . 1 1 4 4 PHE HA H 4 4.729 4.729 4.843 -0.114 18692 435 1 2 . 1 1 4 4 PHE C C 4 176.180 176.180 173.951 2.229 18692 436 1 2 . 1 1 4 4 PHE CA C 4 56.584 56.584 57.204 -0.620 18692 437 1 2 . 1 1 4 4 PHE CB C 4 41.758 41.758 42.749 -0.991 18692 438 1 2 . 1 1 4 4 PHE H H 4 8.913 8.913 9.502 -0.589 18692 439 1 2 . 1 1 5 5 ASP N N 5 123.331 123.331 127.852 -4.521 18692 440 1 2 . 1 1 5 5 ASP HA H 5 4.390 4.390 4.877 -0.487 18692 441 1 2 . 1 1 5 5 ASP C C 5 177.524 177.524 175.737 1.787 18692 442 1 2 . 1 1 5 5 ASP CA C 5 53.344 53.344 53.997 -0.653 18692 443 1 2 . 1 1 5 5 ASP CB C 5 41.043 41.043 40.957 0.086 18692 444 1 2 . 1 1 5 5 ASP H H 5 9.113 9.113 8.611 0.502 18692 445 1 2 . 1 1 6 6 LEU N N 6 122.540 122.540 124.746 -2.206 18692 446 1 2 . 1 1 6 6 LEU HA H 6 4.304 4.304 4.409 -0.105 18692 447 1 2 . 1 1 6 6 LEU CA C 6 55.260 55.260 54.411 0.849 18692 448 1 2 . 1 1 6 6 LEU CB C 6 42.680 42.680 41.729 0.951 18692 449 1 2 . 1 1 6 6 LEU H H 6 8.305 8.305 8.438 -0.133 18692 450 1 2 . 1 1 7 7 ARG N N 7 121.715 121.715 122.029 -0.314 18692 451 1 2 . 1 1 7 7 ARG HA H 7 4.156 4.156 4.080 0.076 18692 452 1 2 . 1 1 7 7 ARG C C 7 177.664 177.664 175.478 2.186 18692 453 1 2 . 1 1 7 7 ARG CA C 7 56.463 56.463 60.366 -3.903 18692 454 1 2 . 1 1 7 7 ARG CB C 7 29.315 29.315 28.634 0.681 18692 455 1 2 . 1 1 7 7 ARG H H 7 8.293 8.293 8.286 0.007 18692 456 1 2 . 1 1 8 8 PRO HA H 8 4.365 4.365 4.330 0.035 18692 457 1 2 . 1 1 8 8 PRO C C 8 178.886 178.886 176.770 2.116 18692 458 1 2 . 1 1 8 8 PRO CA C 8 65.193 65.193 63.331 1.862 18692 459 1 2 . 1 1 8 8 PRO CB C 8 31.566 31.566 31.695 -0.129 18692 460 1 2 . 1 1 9 9 LEU N N 9 114.107 114.107 121.299 -7.192 18692 461 1 2 . 1 1 9 9 LEU HA H 9 4.175 4.175 4.355 -0.180 18692 462 1 2 . 1 1 9 9 LEU C C 9 178.897 178.897 176.328 2.569 18692 463 1 2 . 1 1 9 9 LEU CA C 9 54.878 54.878 54.879 -0.001 18692 464 1 2 . 1 1 9 9 LEU CB C 9 41.222 41.222 43.664 -2.442 18692 465 1 2 . 1 1 9 9 LEU H H 9 7.310 7.310 7.276 0.034 18692 466 1 2 . 1 1 10 10 LYS N N 10 116.563 116.563 120.916 -4.353 18692 467 1 2 . 1 1 10 10 LYS HA H 10 3.823 3.823 4.376 -0.553 18692 468 1 2 . 1 1 10 10 LYS C C 10 178.805 178.805 175.531 3.274 18692 469 1 2 . 1 1 10 10 LYS CA C 10 57.693 57.693 54.922 2.771 18692 470 1 2 . 1 1 10 10 LYS CB C 10 34.124 34.124 33.764 0.360 18692 471 1 2 . 1 1 10 10 LYS H H 10 8.132 8.132 8.011 0.121 18692 472 1 2 . 1 1 11 11 ALA N N 11 124.134 124.134 123.295 0.839 18692 473 1 2 . 1 1 11 11 ALA HA H 11 4.399 4.399 3.901 0.498 18692 474 1 2 . 1 1 11 11 ALA C C 11 178.877 178.877 178.038 0.839 18692 475 1 2 . 1 1 11 11 ALA CA C 11 53.292 53.292 52.859 0.433 18692 476 1 2 . 1 1 11 11 ALA CB C 11 19.310 19.310 18.559 0.751 18692 477 1 2 . 1 1 11 11 ALA H H 11 8.239 8.239 8.344 -0.105 18692 478 1 2 . 1 1 12 12 GLY N N 12 108.661 108.661 111.647 -2.986 18692 479 1 2 . 1 1 12 12 GLY C C 12 178.614 178.614 175.253 3.361 18692 480 1 2 . 1 1 12 12 GLY CA C 12 47.640 47.640 45.666 1.974 18692 481 1 2 . 1 1 12 12 GLY H H 12 8.186 8.186 8.935 -0.749 18692 482 1 2 . 1 1 13 13 ILE N N 13 123.465 123.465 123.941 -0.476 18692 483 1 2 . 1 1 13 13 ILE HA H 13 4.150 4.150 4.160 -0.010 18692 484 1 2 . 1 1 13 13 ILE C C 13 177.234 177.234 176.508 0.726 18692 485 1 2 . 1 1 13 13 ILE CA C 13 60.500 60.500 62.396 -1.896 18692 486 1 2 . 1 1 13 13 ILE CB C 13 36.970 36.970 38.502 -1.532 18692 487 1 2 . 1 1 13 13 ILE H H 13 8.309 8.309 7.374 0.935 18692 488 1 2 . 1 1 14 14 PHE N N 14 119.560 119.560 120.380 -0.820 18692 489 1 2 . 1 1 14 14 PHE HA H 14 3.354 3.354 4.175 -0.821 18692 490 1 2 . 1 1 14 14 PHE C C 14 179.301 179.301 176.739 2.562 18692 491 1 2 . 1 1 14 14 PHE CA C 14 63.883 63.883 61.355 2.528 18692 492 1 2 . 1 1 14 14 PHE CB C 14 37.608 37.608 37.883 -0.275 18692 493 1 2 . 1 1 14 14 PHE H H 14 7.801 7.801 8.058 -0.257 18692 494 1 2 . 1 1 15 15 GLU N N 15 121.567 121.567 119.942 1.625 18692 495 1 2 . 1 1 15 15 GLU HA H 15 4.260 4.260 3.405 0.855 18692 496 1 2 . 1 1 15 15 GLU C C 15 181.428 181.428 177.562 3.866 18692 497 1 2 . 1 1 15 15 GLU CA C 15 60.579 60.579 58.239 2.340 18692 498 1 2 . 1 1 15 15 GLU CB C 15 28.158 28.158 28.786 -0.628 18692 499 1 2 . 1 1 15 15 GLU H H 15 8.331 8.331 8.151 0.180 18692 500 1 2 . 1 1 16 16 ARG N N 16 121.602 121.602 118.873 2.729 18692 501 1 2 . 1 1 16 16 ARG HA H 16 4.104 4.104 3.744 0.360 18692 502 1 2 . 1 1 16 16 ARG C C 16 179.418 179.418 178.926 0.492 18692 503 1 2 . 1 1 16 16 ARG CA C 16 56.877 56.877 58.854 -1.977 18692 504 1 2 . 1 1 16 16 ARG CB C 16 29.397 29.397 29.883 -0.485 18692 505 1 2 . 1 1 16 16 ARG H H 16 8.240 8.240 7.071 1.169 18692 506 1 2 . 1 1 17 17 LEU N N 17 119.769 119.769 120.323 -0.554 18692 507 1 2 . 1 1 17 17 LEU HA H 17 3.619 3.619 4.059 -0.440 18692 508 1 2 . 1 1 17 17 LEU C C 17 179.136 179.136 177.827 1.309 18692 509 1 2 . 1 1 17 17 LEU CA C 17 59.104 59.104 57.071 2.033 18692 510 1 2 . 1 1 17 17 LEU CB C 17 42.770 42.770 41.291 1.480 18692 511 1 2 . 1 1 17 17 LEU H H 17 8.134 8.134 8.528 -0.394 18692 512 1 2 . 1 1 18 18 GLU N N 18 115.547 115.547 118.374 -2.827 18692 513 1 2 . 1 1 18 18 GLU HA H 18 3.889 3.889 3.323 0.566 18692 514 1 2 . 1 1 18 18 GLU C C 18 179.643 179.643 178.196 1.447 18692 515 1 2 . 1 1 18 18 GLU CA C 18 59.929 59.929 59.451 0.478 18692 516 1 2 . 1 1 18 18 GLU CB C 18 29.170 29.170 28.868 0.302 18692 517 1 2 . 1 1 18 18 GLU H H 18 7.674 7.674 7.591 0.083 18692 518 1 2 . 1 1 19 19 GLU N N 19 119.211 119.211 118.496 0.715 18692 519 1 2 . 1 1 19 19 GLU HA H 19 4.047 4.047 4.021 0.026 18692 520 1 2 . 1 1 19 19 GLU C C 19 180.374 180.374 178.080 2.294 18692 521 1 2 . 1 1 19 19 GLU CA C 19 59.441 59.441 57.942 1.499 18692 522 1 2 . 1 1 19 19 GLU CB C 19 30.269 30.269 29.502 0.767 18692 523 1 2 . 1 1 19 19 GLU H H 19 7.782 7.782 7.299 0.483 18692 524 1 2 . 1 1 20 20 LEU N N 20 119.264 119.264 120.418 -1.154 18692 525 1 2 . 1 1 20 20 LEU HA H 20 3.761 3.761 3.933 -0.172 18692 526 1 2 . 1 1 20 20 LEU C C 20 181.666 181.666 178.864 2.802 18692 527 1 2 . 1 1 20 20 LEU CA C 20 57.862 57.862 57.746 0.116 18692 528 1 2 . 1 1 20 20 LEU CB C 20 42.111 42.111 42.068 0.043 18692 529 1 2 . 1 1 20 20 LEU H H 20 8.507 8.507 7.470 1.037 18692 530 1 2 . 1 1 21 21 ILE N N 21 117.879 117.879 117.871 0.008 18692 531 1 2 . 1 1 21 21 ILE HA H 21 3.697 3.697 3.798 -0.101 18692 532 1 2 . 1 1 21 21 ILE C C 21 181.696 181.696 176.935 4.761 18692 533 1 2 . 1 1 21 21 ILE CA C 21 65.174 65.174 61.827 3.347 18692 534 1 2 . 1 1 21 21 ILE CB C 21 38.420 38.420 37.870 0.550 18692 535 1 2 . 1 1 21 21 ILE H H 21 7.750 7.750 7.027 0.723 18692 536 1 2 . 1 1 22 22 GLU N N 22 116.656 116.656 119.548 -2.892 18692 537 1 2 . 1 1 22 22 GLU HA H 22 3.891 3.891 3.939 -0.048 18692 538 1 2 . 1 1 22 22 GLU C C 22 180.424 180.424 177.779 2.645 18692 539 1 2 . 1 1 22 22 GLU CA C 22 59.864 59.864 59.334 0.530 18692 540 1 2 . 1 1 22 22 GLU CB C 22 30.047 30.047 29.357 0.690 18692 541 1 2 . 1 1 22 22 GLU H H 22 8.203 8.203 7.480 0.723 18692 542 1 2 . 1 1 23 23 LYS N N 23 113.426 113.426 116.794 -3.368 18692 543 1 2 . 1 1 23 23 LYS HA H 23 4.392 4.392 4.117 0.275 18692 544 1 2 . 1 1 23 23 LYS C C 23 180.639 180.639 177.764 2.875 18692 545 1 2 . 1 1 23 23 LYS CA C 23 57.952 57.952 58.518 -0.566 18692 546 1 2 . 1 1 23 23 LYS CB C 23 34.655 34.655 32.545 2.110 18692 547 1 2 . 1 1 23 23 LYS H H 23 8.713 8.713 7.372 1.341 18692 548 1 2 . 1 1 24 24 GLU N N 24 115.943 115.943 117.091 -1.148 18692 549 1 2 . 1 1 24 24 GLU HA H 24 4.730 4.730 4.180 0.550 18692 550 1 2 . 1 1 24 24 GLU C C 24 177.407 177.407 177.233 0.174 18692 551 1 2 . 1 1 24 24 GLU CA C 24 56.241 56.241 57.002 -0.761 18692 552 1 2 . 1 1 24 24 GLU CB C 24 30.664 30.664 30.272 0.392 18692 553 1 2 . 1 1 24 24 GLU H H 24 8.225 8.225 7.701 0.524 18692 554 1 2 . 1 1 25 25 MET N N 25 115.075 115.075 118.307 -3.232 18692 555 1 2 . 1 1 25 25 MET HA H 25 4.832 4.832 4.370 0.462 18692 556 1 2 . 1 1 25 25 MET C C 25 177.286 177.286 176.155 1.131 18692 557 1 2 . 1 1 25 25 MET CA C 25 55.022 55.022 55.056 -0.034 18692 558 1 2 . 1 1 25 25 MET CB C 25 37.416 37.416 32.639 4.777 18692 559 1 2 . 1 1 25 25 MET H H 25 6.860 6.860 7.311 -0.451 18692 560 1 2 . 1 1 26 26 GLN N N 26 122.801 122.801 121.599 1.202 18692 561 1 2 . 1 1 26 26 GLN HA H 26 4.345 4.345 4.412 -0.067 18692 562 1 2 . 1 1 26 26 GLN C C 26 175.718 175.718 176.018 -0.300 18692 563 1 2 . 1 1 26 26 GLN CA C 26 52.909 52.909 55.612 -2.703 18692 564 1 2 . 1 1 26 26 GLN CB C 26 28.417 28.417 29.025 -0.608 18692 565 1 2 . 1 1 26 26 GLN H H 26 9.264 9.264 8.373 0.891 18692 566 1 2 . 1 1 27 27 PRO HA H 27 3.915 3.915 4.380 -0.465 18692 567 1 2 . 1 1 27 27 PRO C C 27 177.450 177.450 175.825 1.625 18692 568 1 2 . 1 1 27 27 PRO CA C 27 64.908 64.908 64.883 0.025 18692 569 1 2 . 1 1 27 27 PRO CB C 27 31.265 31.265 32.053 -0.788 18692 570 1 2 . 1 1 28 28 ASN N N 28 118.995 118.995 113.486 5.509 18692 571 1 2 . 1 1 28 28 ASN HA H 28 4.475 4.475 5.161 -0.686 18692 572 1 2 . 1 1 28 28 ASN C C 28 179.421 179.421 174.075 5.346 18692 573 1 2 . 1 1 28 28 ASN CA C 28 55.368 55.368 52.405 2.963 18692 574 1 2 . 1 1 28 28 ASN CB C 28 38.967 38.967 39.989 -1.022 18692 575 1 2 . 1 1 28 28 ASN H H 28 8.458 8.458 8.160 0.298 18692 576 1 2 . 1 1 29 29 GLU N N 29 123.128 123.128 119.270 3.858 18692 577 1 2 . 1 1 29 29 GLU HA H 29 4.291 4.291 4.634 -0.343 18692 578 1 2 . 1 1 29 29 GLU C C 29 175.883 175.883 174.219 1.664 18692 579 1 2 . 1 1 29 29 GLU CA C 29 56.876 56.876 54.713 2.163 18692 580 1 2 . 1 1 29 29 GLU CB C 29 31.863 31.863 33.757 -1.894 18692 581 1 2 . 1 1 29 29 GLU H H 29 8.294 8.294 7.600 0.694 18692 582 1 2 . 1 1 30 30 VAL N N 30 123.635 123.635 120.753 2.882 18692 583 1 2 . 1 1 30 30 VAL HA H 30 5.293 5.293 4.697 0.597 18692 584 1 2 . 1 1 30 30 VAL C C 30 177.201 177.201 174.940 2.261 18692 585 1 2 . 1 1 30 30 VAL CA C 30 60.562 60.562 60.457 0.105 18692 586 1 2 . 1 1 30 30 VAL CB C 30 33.419 33.419 34.067 -0.648 18692 587 1 2 . 1 1 30 30 VAL H H 30 8.067 8.067 8.451 -0.384 18692 588 1 2 . 1 1 31 31 ALA N N 31 127.391 127.391 130.480 -3.089 18692 589 1 2 . 1 1 31 31 ALA HA H 31 4.919 4.919 4.955 -0.036 18692 590 1 2 . 1 1 31 31 ALA C C 31 176.179 176.179 176.071 0.108 18692 591 1 2 . 1 1 31 31 ALA CA C 31 51.470 51.470 49.968 1.502 18692 592 1 2 . 1 1 31 31 ALA CB C 31 24.772 24.772 21.299 3.473 18692 593 1 2 . 1 1 31 31 ALA H H 31 9.086 9.086 8.314 0.772 18692 594 1 2 . 1 1 32 32 ILE N N 32 118.468 118.468 126.198 -7.730 18692 595 1 2 . 1 1 32 32 ILE HA H 32 5.102 5.102 4.435 0.667 18692 596 1 2 . 1 1 32 32 ILE C C 32 176.300 176.300 174.721 1.579 18692 597 1 2 . 1 1 32 32 ILE CA C 32 59.604 59.604 60.771 -1.167 18692 598 1 2 . 1 1 32 32 ILE CB C 32 41.416 41.416 38.687 2.729 18692 599 1 2 . 1 1 32 32 ILE H H 32 8.175 8.175 7.974 0.201 18692 600 1 2 . 1 1 33 33 PHE N N 33 123.926 123.926 127.898 -3.972 18692 601 1 2 . 1 1 33 33 PHE HA H 33 5.407 5.407 5.513 -0.105 18692 602 1 2 . 1 1 33 33 PHE C C 33 176.695 176.695 176.062 0.633 18692 603 1 2 . 1 1 33 33 PHE CA C 33 56.627 56.627 55.125 1.502 18692 604 1 2 . 1 1 33 33 PHE CB C 33 41.583 41.583 39.236 2.348 18692 605 1 2 . 1 1 33 33 PHE H H 33 9.277 9.277 8.835 0.442 18692 606 1 2 . 1 1 34 34 MET N N 34 120.519 120.519 124.587 -4.068 18692 607 1 2 . 1 1 34 34 MET HA H 34 5.517 5.517 5.314 0.203 18692 608 1 2 . 1 1 34 34 MET C C 34 177.123 177.123 175.299 1.824 18692 609 1 2 . 1 1 34 34 MET CA C 34 53.515 53.515 55.887 -2.372 18692 610 1 2 . 1 1 34 34 MET CB C 34 36.447 36.447 34.035 2.412 18692 611 1 2 . 1 1 34 34 MET H H 34 8.606 8.606 8.879 -0.273 18692 612 1 2 . 1 1 35 35 PHE N N 35 118.119 118.119 120.712 -2.593 18692 613 1 2 . 1 1 35 35 PHE HA H 35 4.642 4.642 5.175 -0.533 18692 614 1 2 . 1 1 35 35 PHE C C 35 175.188 175.188 174.100 1.088 18692 615 1 2 . 1 1 35 35 PHE CA C 35 56.100 56.100 55.697 0.403 18692 616 1 2 . 1 1 35 35 PHE CB C 35 41.450 41.450 40.818 0.632 18692 617 1 2 . 1 1 35 35 PHE H H 35 8.832 8.832 8.839 -0.007 18692 618 1 2 . 1 1 36 36 GLU N N 36 120.598 120.598 122.926 -2.328 18692 619 1 2 . 1 1 36 36 GLU HA H 36 4.890 4.890 4.256 0.634 18692 620 1 2 . 1 1 36 36 GLU C C 36 179.258 179.258 175.588 3.670 18692 621 1 2 . 1 1 36 36 GLU CA C 36 57.184 57.184 56.169 1.015 18692 622 1 2 . 1 1 36 36 GLU CB C 36 30.844 30.844 29.872 0.972 18692 623 1 2 . 1 1 36 36 GLU H H 36 9.421 9.421 8.848 0.573 18692 624 1 2 . 1 1 37 37 VAL N N 37 122.817 122.817 119.681 3.136 18692 625 1 2 . 1 1 37 37 VAL HA H 37 4.230 4.230 4.161 0.069 18692 626 1 2 . 1 1 37 37 VAL C C 37 176.550 176.550 177.109 -0.559 18692 627 1 2 . 1 1 37 37 VAL CA C 37 65.923 65.923 62.359 3.564 18692 628 1 2 . 1 1 37 37 VAL H H 37 9.005 9.005 7.469 1.536 18692 629 1 2 . 1 1 38 38 GLY N N 38 109.660 109.660 110.315 -0.655 18692 630 1 2 . 1 1 38 38 GLY C C 38 173.860 173.860 174.843 -0.983 18692 631 1 2 . 1 1 38 38 GLY CA C 38 44.560 44.560 45.414 -0.854 18692 632 1 2 . 1 1 38 38 GLY H H 38 8.440 8.440 8.618 -0.178 18692 633 1 2 . 1 1 39 39 ASP N N 39 119.440 119.440 123.035 -3.595 18692 634 1 2 . 1 1 39 39 ASP HA H 39 4.910 4.910 4.563 0.347 18692 635 1 2 . 1 1 39 39 ASP C C 39 177.550 177.550 175.793 1.757 18692 636 1 2 . 1 1 39 39 ASP CA C 39 54.420 54.420 54.679 -0.259 18692 637 1 2 . 1 1 39 39 ASP CB C 39 37.150 37.150 39.199 -2.049 18692 638 1 2 . 1 1 39 39 ASP H H 39 8.330 8.330 8.506 -0.176 18692 639 1 2 . 1 1 40 40 PHE N N 40 123.361 123.361 121.513 1.848 18692 640 1 2 . 1 1 40 40 PHE HA H 40 4.620 4.620 4.481 0.139 18692 641 1 2 . 1 1 40 40 PHE CA C 40 56.250 56.250 58.931 -2.681 18692 642 1 2 . 1 1 40 40 PHE CB C 40 36.150 36.150 39.061 -2.911 18692 643 1 2 . 1 1 40 40 PHE H H 40 7.949 7.949 7.949 0.000 18692 644 1 2 . 1 1 41 41 SER N N 41 121.483 121.483 116.337 5.146 18692 645 1 2 . 1 1 41 41 SER HA H 41 4.492 4.492 3.837 0.655 18692 646 1 2 . 1 1 41 41 SER C C 41 174.554 174.554 175.583 -1.029 18692 647 1 2 . 1 1 41 41 SER CA C 41 59.660 59.660 60.098 -0.438 18692 648 1 2 . 1 1 41 41 SER CB C 41 63.220 63.220 62.158 1.062 18692 649 1 2 . 1 1 41 41 SER H H 41 8.519 8.519 7.760 0.759 18692 650 1 2 . 1 1 42 42 ASN N N 42 118.920 118.920 118.895 0.025 18692 651 1 2 . 1 1 42 42 ASN HA H 42 4.910 4.910 4.582 0.328 18692 652 1 2 . 1 1 42 42 ASN CA C 42 53.490 53.490 54.596 -1.106 18692 653 1 2 . 1 1 42 42 ASN CB C 42 38.120 38.120 38.604 -0.484 18692 654 1 2 . 1 1 42 42 ASN H H 42 8.330 8.330 8.112 0.218 18692 655 1 2 . 1 1 43 43 ILE N N 43 121.540 121.540 121.152 0.388 18692 656 1 2 . 1 1 43 43 ILE HA H 43 4.180 4.180 3.854 0.326 18692 657 1 2 . 1 1 43 43 ILE CA C 43 60.110 60.110 66.113 -6.003 18692 658 1 2 . 1 1 43 43 ILE CB C 43 38.440 38.440 35.020 3.420 18692 659 1 2 . 1 1 43 43 ILE H H 43 8.293 8.293 7.113 1.180 18692 660 1 2 . 1 1 44 44 PRO HA H 44 4.461 4.461 4.336 0.125 18692 661 1 2 . 1 1 44 44 PRO C C 44 176.465 176.465 178.488 -2.023 18692 662 1 2 . 1 1 44 44 PRO CA C 44 65.358 65.358 65.117 0.241 18692 663 1 2 . 1 1 44 44 PRO CB C 44 30.441 30.441 31.145 -0.704 18692 664 1 2 . 1 1 45 45 LYS N N 45 116.236 116.236 118.521 -2.285 18692 665 1 2 . 1 1 45 45 LYS HA H 45 4.128 4.128 4.150 -0.022 18692 666 1 2 . 1 1 45 45 LYS C C 45 181.467 181.467 178.394 3.073 18692 667 1 2 . 1 1 45 45 LYS CA C 45 59.712 59.712 58.739 0.973 18692 668 1 2 . 1 1 45 45 LYS CB C 45 33.281 33.281 32.491 0.790 18692 669 1 2 . 1 1 45 45 LYS H H 45 7.270 7.270 7.296 -0.026 18692 670 1 2 . 1 1 46 46 SER N N 46 116.059 116.059 115.960 0.099 18692 671 1 2 . 1 1 46 46 SER HA H 46 4.080 4.080 4.234 -0.154 18692 672 1 2 . 1 1 46 46 SER C C 46 177.432 177.432 176.863 0.569 18692 673 1 2 . 1 1 46 46 SER CA C 46 63.202 63.202 60.969 2.232 18692 674 1 2 . 1 1 46 46 SER CB C 46 62.118 62.118 63.052 -0.934 18692 675 1 2 . 1 1 46 46 SER H H 46 8.293 8.293 7.735 0.558 18692 676 1 2 . 1 1 47 47 ALA N N 47 126.579 126.579 124.211 2.368 18692 677 1 2 . 1 1 47 47 ALA HA H 47 4.128 4.128 4.277 -0.149 18692 678 1 2 . 1 1 47 47 ALA C C 47 181.528 181.528 177.874 3.654 18692 679 1 2 . 1 1 47 47 ALA CA C 47 55.704 55.704 54.465 1.238 18692 680 1 2 . 1 1 47 47 ALA CB C 47 18.326 18.326 18.205 0.121 18692 681 1 2 . 1 1 47 47 ALA H H 47 6.990 6.990 7.602 -0.612 18692 682 1 2 . 1 1 48 48 GLU N N 48 117.980 117.980 117.183 0.797 18692 683 1 2 . 1 1 48 48 GLU HA H 48 4.062 4.062 3.341 0.721 18692 684 1 2 . 1 1 48 48 GLU C C 48 180.822 180.822 177.344 3.478 18692 685 1 2 . 1 1 48 48 GLU CA C 48 59.100 59.100 57.603 1.497 18692 686 1 2 . 1 1 48 48 GLU CB C 48 29.770 29.770 29.343 0.427 18692 687 1 2 . 1 1 48 48 GLU H H 48 7.863 7.863 7.491 0.372 18692 688 1 2 . 1 1 49 49 PHE N N 49 122.179 122.179 117.500 4.679 18692 689 1 2 . 1 1 49 49 PHE HA H 49 4.117 4.117 4.182 -0.065 18692 690 1 2 . 1 1 49 49 PHE C C 49 179.580 179.580 176.815 2.765 18692 691 1 2 . 1 1 49 49 PHE CA C 49 57.813 57.813 60.375 -2.562 18692 692 1 2 . 1 1 49 49 PHE CB C 49 41.695 41.695 39.137 2.558 18692 693 1 2 . 1 1 49 49 PHE H H 49 8.341 8.341 7.596 0.746 18692 694 1 2 . 1 1 50 50 ILE N N 50 117.469 117.469 117.535 -0.066 18692 695 1 2 . 1 1 50 50 ILE HA H 50 3.533 3.533 3.977 -0.444 18692 696 1 2 . 1 1 50 50 ILE C C 50 179.698 179.698 176.301 3.397 18692 697 1 2 . 1 1 50 50 ILE CA C 50 62.884 62.884 62.246 0.638 18692 698 1 2 . 1 1 50 50 ILE CB C 50 36.669 36.669 37.889 -1.220 18692 699 1 2 . 1 1 50 50 ILE H H 50 8.322 8.322 7.263 1.059 18692 700 1 2 . 1 1 51 51 GLN N N 51 117.190 117.190 117.657 -0.467 18692 701 1 2 . 1 1 51 51 GLN HA H 51 4.261 4.261 4.543 -0.282 18692 702 1 2 . 1 1 51 51 GLN C C 51 182.627 182.627 175.962 6.665 18692 703 1 2 . 1 1 51 51 GLN CA C 51 58.862 58.862 54.963 3.899 18692 704 1 2 . 1 1 51 51 GLN CB C 51 28.451 28.451 31.631 -3.180 18692 705 1 2 . 1 1 51 51 GLN H H 51 7.887 7.887 7.725 0.162 18692 706 1 2 . 1 1 52 52 SER N N 52 117.670 117.670 121.162 -3.492 18692 707 1 2 . 1 1 52 52 SER HA H 52 4.137 4.137 4.253 -0.116 18692 708 1 2 . 1 1 52 52 SER CA C 52 61.401 61.401 60.843 0.558 18692 709 1 2 . 1 1 52 52 SER CB C 52 62.615 62.615 63.480 -0.865 18692 710 1 2 . 1 1 52 52 SER H H 52 8.556 8.556 8.753 -0.197 18692 711 1 2 . 1 1 53 53 LYS N N 53 119.008 119.008 120.444 -1.436 18692 712 1 2 . 1 1 53 53 LYS HA H 53 4.170 4.170 4.344 -0.174 18692 713 1 2 . 1 1 53 53 LYS C C 53 177.911 177.911 175.451 2.460 18692 714 1 2 . 1 1 53 53 LYS CA C 53 54.662 54.662 56.238 -1.576 18692 715 1 2 . 1 1 53 53 LYS CB C 53 32.652 32.652 33.494 -0.842 18692 716 1 2 . 1 1 53 53 LYS H H 53 7.064 7.064 7.544 -0.480 18692 717 1 2 . 1 1 54 54 GLY N N 54 105.188 105.188 112.176 -6.988 18692 718 1 2 . 1 1 54 54 GLY C C 54 175.528 175.528 173.707 1.821 18692 719 1 2 . 1 1 54 54 GLY CA C 54 45.118 45.118 45.773 -0.655 18692 720 1 2 . 1 1 54 54 GLY H H 54 7.548 7.548 8.599 -1.051 18692 721 1 2 . 1 1 55 55 HIS N N 55 118.294 118.294 121.993 -3.699 18692 722 1 2 . 1 1 55 55 HIS HA H 55 4.947 4.947 4.695 0.252 18692 723 1 2 . 1 1 55 55 HIS C C 55 175.240 175.240 174.254 0.986 18692 724 1 2 . 1 1 55 55 HIS CA C 55 54.847 54.847 55.415 -0.568 18692 725 1 2 . 1 1 55 55 HIS CB C 55 31.315 31.315 29.176 2.139 18692 726 1 2 . 1 1 55 55 HIS H H 55 6.998 6.998 8.110 -1.112 18692 727 1 2 . 1 1 56 56 GLU N N 56 118.205 118.205 125.865 -7.660 18692 728 1 2 . 1 1 56 56 GLU HA H 56 4.666 4.666 4.480 0.186 18692 729 1 2 . 1 1 56 56 GLU C C 56 176.766 176.766 174.968 1.798 18692 730 1 2 . 1 1 56 56 GLU CA C 56 55.162 55.162 54.921 0.241 18692 731 1 2 . 1 1 56 56 GLU CB C 56 33.110 33.110 32.316 0.793 18692 732 1 2 . 1 1 56 56 GLU H H 56 8.509 8.509 8.056 0.453 18692 733 1 2 . 1 1 57 57 LEU N N 57 127.769 127.769 127.174 0.595 18692 734 1 2 . 1 1 57 57 LEU HA H 57 4.786 4.786 4.724 0.062 18692 735 1 2 . 1 1 57 57 LEU C C 57 177.854 177.854 177.625 0.229 18692 736 1 2 . 1 1 57 57 LEU CA C 57 53.780 53.780 53.978 -0.198 18692 737 1 2 . 1 1 57 57 LEU CB C 57 42.676 42.676 40.336 2.340 18692 738 1 2 . 1 1 57 57 LEU H H 57 8.978 8.978 8.843 0.135 18692 739 1 2 . 1 1 58 58 LEU N N 58 128.364 128.364 124.888 3.476 18692 740 1 2 . 1 1 58 58 LEU HA H 58 4.402 4.402 4.029 0.373 18692 741 1 2 . 1 1 58 58 LEU C C 58 179.469 179.469 177.376 2.093 18692 742 1 2 . 1 1 58 58 LEU CA C 58 56.534 56.534 57.789 -1.255 18692 743 1 2 . 1 1 58 58 LEU CB C 58 42.371 42.371 42.787 -0.416 18692 744 1 2 . 1 1 58 58 LEU H H 58 9.128 9.128 7.885 1.243 18692 745 1 2 . 1 1 59 59 ASN N N 59 113.622 113.622 115.207 -1.585 18692 746 1 2 . 1 1 59 59 ASN HA H 59 4.918 4.918 4.875 0.043 18692 747 1 2 . 1 1 59 59 ASN C C 59 175.560 175.560 174.120 1.440 18692 748 1 2 . 1 1 59 59 ASN CA C 59 52.389 52.389 52.337 0.053 18692 749 1 2 . 1 1 59 59 ASN CB C 59 41.887 41.887 40.060 1.827 18692 750 1 2 . 1 1 59 59 ASN H H 59 7.574 7.574 7.869 -0.295 18692 751 1 2 . 1 1 60 60 SER N N 60 118.134 118.134 120.664 -2.530 18692 752 1 2 . 1 1 60 60 SER HA H 60 4.045 4.045 4.369 -0.324 18692 753 1 2 . 1 1 60 60 SER CA C 60 56.925 56.925 58.004 -1.079 18692 754 1 2 . 1 1 60 60 SER CB C 60 63.649 63.649 63.993 -0.344 18692 755 1 2 . 1 1 60 60 SER H H 60 8.436 8.436 8.642 -0.206 18692 756 1 2 . 1 1 61 61 LEU N N 61 128.266 128.266 120.956 7.310 18692 757 1 2 . 1 1 61 61 LEU HA H 61 4.219 4.219 4.603 -0.384 18692 758 1 2 . 1 1 61 61 LEU CA C 61 55.106 55.106 55.616 -0.510 18692 759 1 2 . 1 1 61 61 LEU CB C 61 44.577 44.577 42.481 2.096 18692 760 1 2 . 1 1 61 61 LEU H H 61 8.725 8.725 8.309 0.416 18692 761 1 2 . 1 1 62 62 ARG N N 62 122.383 122.383 124.734 -2.351 18692 762 1 2 . 1 1 62 62 ARG HA H 62 4.312 4.312 4.248 0.064 18692 763 1 2 . 1 1 62 62 ARG C C 62 176.560 176.560 176.277 0.283 18692 764 1 2 . 1 1 62 62 ARG CA C 62 57.290 57.290 54.702 2.588 18692 765 1 2 . 1 1 62 62 ARG CB C 62 30.828 30.828 27.884 2.944 18692 766 1 2 . 1 1 62 62 ARG H H 62 7.303 7.303 9.085 -1.782 18692 767 1 2 . 1 1 63 63 PHE N N 63 120.560 120.560 121.845 -1.285 18692 768 1 2 . 1 1 63 63 PHE HA H 63 4.613 4.613 4.412 0.201 18692 769 1 2 . 1 1 63 63 PHE CA C 63 61.377 61.377 59.024 2.353 18692 770 1 2 . 1 1 63 63 PHE CB C 63 39.908 39.908 38.657 1.250 18692 771 1 2 . 1 1 63 63 PHE H H 63 8.321 8.321 8.022 0.299 18692 772 1 2 . 1 1 64 64 ASN N N 64 117.616 117.616 116.889 0.727 18692 773 1 2 . 1 1 64 64 ASN HA H 64 4.377 4.377 3.900 0.477 18692 774 1 2 . 1 1 64 64 ASN C C 64 176.642 176.642 175.563 1.079 18692 775 1 2 . 1 1 64 64 ASN CA C 64 53.465 53.465 54.420 -0.955 18692 776 1 2 . 1 1 64 64 ASN CB C 64 37.450 37.450 37.775 -0.325 18692 777 1 2 . 1 1 64 64 ASN H H 64 8.101 8.101 7.878 0.223 18692 778 1 2 . 1 1 65 65 GLN N N 65 115.548 115.548 117.804 -2.256 18692 779 1 2 . 1 1 65 65 GLN HA H 65 4.275 4.275 4.361 -0.086 18692 780 1 2 . 1 1 65 65 GLN C C 65 178.411 178.411 174.815 3.596 18692 781 1 2 . 1 1 65 65 GLN CA C 65 59.127 59.127 54.751 4.376 18692 782 1 2 . 1 1 65 65 GLN CB C 65 28.650 28.650 30.852 -2.202 18692 783 1 2 . 1 1 65 65 GLN H H 65 8.330 8.330 7.143 1.187 18692 784 1 2 . 1 1 66 66 ALA N N 66 120.802 120.802 122.179 -1.377 18692 785 1 2 . 1 1 66 66 ALA HA H 66 4.652 4.652 4.242 0.410 18692 786 1 2 . 1 1 66 66 ALA C C 66 178.893 178.893 177.154 1.739 18692 787 1 2 . 1 1 66 66 ALA CA C 66 52.751 52.751 52.278 0.473 18692 788 1 2 . 1 1 66 66 ALA CB C 66 21.705 21.705 19.466 2.239 18692 789 1 2 . 1 1 66 66 ALA H H 66 8.346 8.346 8.280 0.066 18692 790 1 2 . 1 1 67 67 ASP N N 67 118.909 118.909 118.769 0.140 18692 791 1 2 . 1 1 67 67 ASP HA H 67 4.612 4.612 4.367 0.245 18692 792 1 2 . 1 1 67 67 ASP C C 67 175.639 175.639 175.466 0.173 18692 793 1 2 . 1 1 67 67 ASP CA C 67 54.726 54.726 54.769 -0.043 18692 794 1 2 . 1 1 67 67 ASP CB C 67 45.152 45.152 39.848 5.304 18692 795 1 2 . 1 1 67 67 ASP H H 67 8.117 8.117 8.286 -0.169 18692 796 1 2 . 1 1 68 68 TRP HA H 68 4.477 4.477 4.869 -0.392 18692 797 1 2 . 1 1 68 68 TRP CA C 68 56.253 56.253 56.024 0.229 18692 798 1 2 . 1 1 68 68 TRP CB C 68 33.719 33.719 33.429 0.290 18692 799 1 2 . 1 1 68 68 TRP H H 68 8.310 8.310 7.463 0.847 18692 800 1 2 . 1 1 69 69 THR N N 69 114.495 114.495 111.297 3.198 18692 801 1 2 . 1 1 69 69 THR HA H 69 5.605 5.605 4.629 0.976 18692 802 1 2 . 1 1 69 69 THR C C 69 176.005 176.005 173.068 2.937 18692 803 1 2 . 1 1 69 69 THR CA C 69 58.855 58.855 60.818 -1.963 18692 804 1 2 . 1 1 69 69 THR CB C 69 72.755 72.755 71.038 1.717 18692 805 1 2 . 1 1 69 69 THR H H 69 7.985 7.985 8.071 -0.086 18692 806 1 2 . 1 1 70 70 ILE N N 70 114.448 114.448 126.028 -11.580 18692 807 1 2 . 1 1 70 70 ILE HA H 70 5.384 5.384 4.732 0.652 18692 808 1 2 . 1 1 70 70 ILE C C 70 175.751 175.751 173.923 1.828 18692 809 1 2 . 1 1 70 70 ILE CA C 70 59.637 59.637 58.945 0.692 18692 810 1 2 . 1 1 70 70 ILE CB C 70 41.689 41.689 41.778 -0.089 18692 811 1 2 . 1 1 70 70 ILE H H 70 8.807 8.807 8.147 0.660 18692 812 1 2 . 1 1 71 71 VAL N N 71 124.084 124.084 126.842 -2.758 18692 813 1 2 . 1 1 71 71 VAL HA H 71 5.012 5.012 4.685 0.327 18692 814 1 2 . 1 1 71 71 VAL C C 71 177.625 177.625 174.752 2.873 18692 815 1 2 . 1 1 71 71 VAL CA C 71 61.647 61.647 60.862 0.785 18692 816 1 2 . 1 1 71 71 VAL CB C 71 32.482 32.482 32.305 0.177 18692 817 1 2 . 1 1 71 71 VAL H H 71 8.500 8.500 8.514 -0.014 18692 818 1 2 . 1 1 72 72 VAL N N 72 127.753 127.753 125.493 2.260 18692 819 1 2 . 1 1 72 72 VAL HA H 72 5.147 5.147 4.412 0.735 18692 820 1 2 . 1 1 72 72 VAL C C 72 175.444 175.444 175.201 0.243 18692 821 1 2 . 1 1 72 72 VAL CA C 72 60.252 60.252 60.624 -0.372 18692 822 1 2 . 1 1 72 72 VAL CB C 72 37.425 37.425 33.527 3.898 18692 823 1 2 . 1 1 72 72 VAL H H 72 9.280 9.280 8.579 0.701 18692 824 1 2 . 1 1 73 73 ARG N N 73 125.839 125.839 126.882 -1.043 18692 825 1 2 . 1 1 73 73 ARG HA H 73 5.458 5.458 5.144 0.314 18692 826 1 2 . 1 1 73 73 ARG C C 73 177.981 177.981 176.072 1.909 18692 827 1 2 . 1 1 73 73 ARG CA C 73 53.788 53.788 54.174 -0.386 18692 828 1 2 . 1 1 73 73 ARG CB C 73 33.855 33.855 31.223 2.632 18692 829 1 2 . 1 1 73 73 ARG H H 73 9.194 9.194 8.385 0.809 18692 830 1 2 . 1 1 74 74 LYS N N 74 129.522 129.522 125.057 4.465 18692 831 1 2 . 1 1 74 74 LYS HA H 74 4.323 4.323 4.275 0.048 18692 832 1 2 . 1 1 74 74 LYS C C 74 178.340 178.340 176.151 2.189 18692 833 1 2 . 1 1 74 74 LYS CA C 74 55.983 55.983 57.477 -1.494 18692 834 1 2 . 1 1 74 74 LYS CB C 74 33.103 33.103 33.751 -0.648 18692 835 1 2 . 1 1 74 74 LYS H H 74 10.930 10.930 8.375 2.555 18692 836 1 2 . 1 1 75 75 LYS N N 75 131.817 131.817 118.562 13.255 18692 837 1 2 . 1 1 75 75 LYS HA H 75 4.489 4.489 4.625 -0.136 18692 838 1 2 . 1 1 75 75 LYS CA C 75 55.927 55.927 55.468 0.459 18692 839 1 2 . 1 1 75 75 LYS CB C 75 29.730 29.730 34.872 -5.142 18692 840 1 2 . 1 1 75 75 LYS H H 75 10.873 10.873 8.217 2.656 18692 841 1 3 . 1 1 2 2 LYS N N 2 127.399 127.399 121.074 6.325 18692 842 1 3 . 1 1 2 2 LYS HA H 2 3.954 3.954 4.756 -0.802 18692 843 1 3 . 1 1 2 2 LYS C C 2 175.826 175.826 174.988 0.838 18692 844 1 3 . 1 1 2 2 LYS CA C 2 57.475 57.475 55.636 1.839 18692 845 1 3 . 1 1 2 2 LYS CB C 2 34.009 34.009 33.228 0.781 18692 846 1 3 . 1 1 2 2 LYS H H 2 9.167 9.167 8.494 0.673 18692 847 1 3 . 1 1 3 3 ARG N N 3 121.207 121.207 118.486 2.721 18692 848 1 3 . 1 1 3 3 ARG HA H 3 4.797 4.797 4.869 -0.072 18692 849 1 3 . 1 1 3 3 ARG C C 3 176.719 176.719 174.204 2.515 18692 850 1 3 . 1 1 3 3 ARG CA C 3 54.082 54.082 55.307 -1.225 18692 851 1 3 . 1 1 3 3 ARG CB C 3 32.816 32.816 32.770 0.046 18692 852 1 3 . 1 1 3 3 ARG H H 3 7.705 7.705 7.728 -0.023 18692 853 1 3 . 1 1 4 4 PHE N N 4 124.380 124.380 121.159 3.221 18692 854 1 3 . 1 1 4 4 PHE HA H 4 4.729 4.729 4.843 -0.114 18692 855 1 3 . 1 1 4 4 PHE C C 4 176.180 176.180 173.910 2.270 18692 856 1 3 . 1 1 4 4 PHE CA C 4 56.584 56.584 57.237 -0.653 18692 857 1 3 . 1 1 4 4 PHE CB C 4 41.758 41.758 42.732 -0.974 18692 858 1 3 . 1 1 4 4 PHE H H 4 8.913 8.913 9.501 -0.588 18692 859 1 3 . 1 1 5 5 ASP N N 5 123.331 123.331 127.872 -4.541 18692 860 1 3 . 1 1 5 5 ASP HA H 5 4.390 4.390 4.874 -0.484 18692 861 1 3 . 1 1 5 5 ASP C C 5 177.524 177.524 175.640 1.884 18692 862 1 3 . 1 1 5 5 ASP CA C 5 53.344 53.344 54.088 -0.744 18692 863 1 3 . 1 1 5 5 ASP CB C 5 41.043 41.043 41.027 0.016 18692 864 1 3 . 1 1 5 5 ASP H H 5 9.113 9.113 8.600 0.513 18692 865 1 3 . 1 1 6 6 LEU N N 6 122.540 122.540 124.804 -2.264 18692 866 1 3 . 1 1 6 6 LEU HA H 6 4.304 4.304 4.448 -0.144 18692 867 1 3 . 1 1 6 6 LEU CA C 6 55.260 55.260 54.233 1.027 18692 868 1 3 . 1 1 6 6 LEU CB C 6 42.680 42.680 41.807 0.873 18692 869 1 3 . 1 1 6 6 LEU H H 6 8.305 8.305 8.345 -0.040 18692 870 1 3 . 1 1 7 7 ARG N N 7 121.715 121.715 121.591 0.124 18692 871 1 3 . 1 1 7 7 ARG HA H 7 4.156 4.156 4.084 0.072 18692 872 1 3 . 1 1 7 7 ARG C C 7 177.664 177.664 175.535 2.129 18692 873 1 3 . 1 1 7 7 ARG CA C 7 56.463 56.463 60.240 -3.777 18692 874 1 3 . 1 1 7 7 ARG CB C 7 29.315 29.315 28.710 0.605 18692 875 1 3 . 1 1 7 7 ARG H H 7 8.293 8.293 8.289 0.004 18692 876 1 3 . 1 1 8 8 PRO HA H 8 4.365 4.365 4.326 0.039 18692 877 1 3 . 1 1 8 8 PRO C C 8 178.886 178.886 176.534 2.352 18692 878 1 3 . 1 1 8 8 PRO CA C 8 65.193 65.193 63.317 1.876 18692 879 1 3 . 1 1 8 8 PRO CB C 8 31.566 31.566 31.700 -0.133 18692 880 1 3 . 1 1 9 9 LEU N N 9 114.107 114.107 121.551 -7.444 18692 881 1 3 . 1 1 9 9 LEU HA H 9 4.175 4.175 4.315 -0.140 18692 882 1 3 . 1 1 9 9 LEU C C 9 178.897 178.897 176.409 2.488 18692 883 1 3 . 1 1 9 9 LEU CA C 9 54.878 54.878 54.836 0.042 18692 884 1 3 . 1 1 9 9 LEU CB C 9 41.222 41.222 43.383 -2.161 18692 885 1 3 . 1 1 9 9 LEU H H 9 7.310 7.310 7.089 0.221 18692 886 1 3 . 1 1 10 10 LYS N N 10 116.563 116.563 122.888 -6.325 18692 887 1 3 . 1 1 10 10 LYS HA H 10 3.823 3.823 4.264 -0.441 18692 888 1 3 . 1 1 10 10 LYS C C 10 178.805 178.805 175.923 2.882 18692 889 1 3 . 1 1 10 10 LYS CA C 10 57.693 57.693 55.556 2.138 18692 890 1 3 . 1 1 10 10 LYS CB C 10 34.124 34.124 33.413 0.711 18692 891 1 3 . 1 1 10 10 LYS H H 10 8.132 8.132 8.191 -0.059 18692 892 1 3 . 1 1 11 11 ALA N N 11 124.134 124.134 123.510 0.624 18692 893 1 3 . 1 1 11 11 ALA HA H 11 4.399 4.399 3.834 0.565 18692 894 1 3 . 1 1 11 11 ALA C C 11 178.877 178.877 178.225 0.652 18692 895 1 3 . 1 1 11 11 ALA CA C 11 53.292 53.292 52.777 0.515 18692 896 1 3 . 1 1 11 11 ALA CB C 11 19.310 19.310 18.563 0.747 18692 897 1 3 . 1 1 11 11 ALA H H 11 8.239 8.239 8.320 -0.081 18692 898 1 3 . 1 1 12 12 GLY N N 12 108.661 108.661 112.045 -3.384 18692 899 1 3 . 1 1 12 12 GLY C C 12 178.614 178.614 174.846 3.768 18692 900 1 3 . 1 1 12 12 GLY CA C 12 47.640 47.640 45.517 2.123 18692 901 1 3 . 1 1 12 12 GLY H H 12 8.186 8.186 8.961 -0.775 18692 902 1 3 . 1 1 13 13 ILE N N 13 123.465 123.465 122.715 0.750 18692 903 1 3 . 1 1 13 13 ILE HA H 13 4.150 4.150 4.322 -0.172 18692 904 1 3 . 1 1 13 13 ILE C C 13 177.234 177.234 177.116 0.118 18692 905 1 3 . 1 1 13 13 ILE CA C 13 60.500 60.500 62.417 -1.917 18692 906 1 3 . 1 1 13 13 ILE CB C 13 36.970 36.970 39.009 -2.039 18692 907 1 3 . 1 1 13 13 ILE H H 13 8.309 8.309 7.436 0.873 18692 908 1 3 . 1 1 14 14 PHE N N 14 119.560 119.560 120.134 -0.574 18692 909 1 3 . 1 1 14 14 PHE HA H 14 3.354 3.354 4.160 -0.806 18692 910 1 3 . 1 1 14 14 PHE C C 14 179.301 179.301 176.729 2.572 18692 911 1 3 . 1 1 14 14 PHE CA C 14 63.883 63.883 61.126 2.757 18692 912 1 3 . 1 1 14 14 PHE CB C 14 37.608 37.608 37.884 -0.276 18692 913 1 3 . 1 1 14 14 PHE H H 14 7.801 7.801 8.016 -0.215 18692 914 1 3 . 1 1 15 15 GLU N N 15 121.567 121.567 119.307 2.260 18692 915 1 3 . 1 1 15 15 GLU HA H 15 4.260 4.260 3.479 0.781 18692 916 1 3 . 1 1 15 15 GLU C C 15 181.428 181.428 177.408 4.020 18692 917 1 3 . 1 1 15 15 GLU CA C 15 60.579 60.579 57.790 2.789 18692 918 1 3 . 1 1 15 15 GLU CB C 15 28.158 28.158 28.887 -0.729 18692 919 1 3 . 1 1 15 15 GLU H H 15 8.331 8.331 8.254 0.077 18692 920 1 3 . 1 1 16 16 ARG N N 16 121.602 121.602 119.304 2.298 18692 921 1 3 . 1 1 16 16 ARG HA H 16 4.104 4.104 3.742 0.362 18692 922 1 3 . 1 1 16 16 ARG C C 16 179.418 179.418 178.849 0.569 18692 923 1 3 . 1 1 16 16 ARG CA C 16 56.877 56.877 58.618 -1.741 18692 924 1 3 . 1 1 16 16 ARG CB C 16 29.397 29.397 30.079 -0.682 18692 925 1 3 . 1 1 16 16 ARG H H 16 8.240 8.240 7.479 0.761 18692 926 1 3 . 1 1 17 17 LEU N N 17 119.769 119.769 120.236 -0.467 18692 927 1 3 . 1 1 17 17 LEU HA H 17 3.619 3.619 4.130 -0.511 18692 928 1 3 . 1 1 17 17 LEU C C 17 179.136 179.136 177.667 1.469 18692 929 1 3 . 1 1 17 17 LEU CA C 17 59.104 59.104 56.401 2.703 18692 930 1 3 . 1 1 17 17 LEU CB C 17 42.770 42.770 41.385 1.385 18692 931 1 3 . 1 1 17 17 LEU H H 17 8.134 8.134 8.622 -0.488 18692 932 1 3 . 1 1 18 18 GLU N N 18 115.547 115.547 118.050 -2.503 18692 933 1 3 . 1 1 18 18 GLU HA H 18 3.889 3.889 3.281 0.608 18692 934 1 3 . 1 1 18 18 GLU C C 18 179.643 179.643 178.019 1.624 18692 935 1 3 . 1 1 18 18 GLU CA C 18 59.929 59.929 59.315 0.614 18692 936 1 3 . 1 1 18 18 GLU CB C 18 29.170 29.170 28.956 0.214 18692 937 1 3 . 1 1 18 18 GLU H H 18 7.674 7.674 7.601 0.073 18692 938 1 3 . 1 1 19 19 GLU N N 19 119.211 119.211 118.642 0.569 18692 939 1 3 . 1 1 19 19 GLU HA H 19 4.047 4.047 4.030 0.017 18692 940 1 3 . 1 1 19 19 GLU C C 19 180.374 180.374 177.942 2.432 18692 941 1 3 . 1 1 19 19 GLU CA C 19 59.441 59.441 58.147 1.294 18692 942 1 3 . 1 1 19 19 GLU CB C 19 30.269 30.269 29.531 0.738 18692 943 1 3 . 1 1 19 19 GLU H H 19 7.782 7.782 7.309 0.473 18692 944 1 3 . 1 1 20 20 LEU N N 20 119.264 119.264 120.234 -0.970 18692 945 1 3 . 1 1 20 20 LEU HA H 20 3.761 3.761 3.971 -0.210 18692 946 1 3 . 1 1 20 20 LEU C C 20 181.666 181.666 178.670 2.996 18692 947 1 3 . 1 1 20 20 LEU CA C 20 57.862 57.862 57.635 0.227 18692 948 1 3 . 1 1 20 20 LEU CB C 20 42.111 42.111 42.101 0.010 18692 949 1 3 . 1 1 20 20 LEU H H 20 8.507 8.507 7.458 1.049 18692 950 1 3 . 1 1 21 21 ILE N N 21 117.879 117.879 117.545 0.334 18692 951 1 3 . 1 1 21 21 ILE HA H 21 3.697 3.697 3.865 -0.168 18692 952 1 3 . 1 1 21 21 ILE C C 21 181.696 181.696 177.023 4.673 18692 953 1 3 . 1 1 21 21 ILE CA C 21 65.174 65.174 61.994 3.180 18692 954 1 3 . 1 1 21 21 ILE CB C 21 38.420 38.420 37.828 0.592 18692 955 1 3 . 1 1 21 21 ILE H H 21 7.750 7.750 7.024 0.726 18692 956 1 3 . 1 1 22 22 GLU N N 22 116.656 116.656 119.613 -2.957 18692 957 1 3 . 1 1 22 22 GLU HA H 22 3.891 3.891 3.974 -0.083 18692 958 1 3 . 1 1 22 22 GLU C C 22 180.424 180.424 177.815 2.609 18692 959 1 3 . 1 1 22 22 GLU CA C 22 59.864 59.864 59.109 0.755 18692 960 1 3 . 1 1 22 22 GLU CB C 22 30.047 30.047 29.079 0.968 18692 961 1 3 . 1 1 22 22 GLU H H 22 8.203 8.203 7.476 0.727 18692 962 1 3 . 1 1 23 23 LYS N N 23 113.426 113.426 116.671 -3.245 18692 963 1 3 . 1 1 23 23 LYS HA H 23 4.392 4.392 4.108 0.284 18692 964 1 3 . 1 1 23 23 LYS C C 23 180.639 180.639 177.717 2.922 18692 965 1 3 . 1 1 23 23 LYS CA C 23 57.952 57.952 58.472 -0.520 18692 966 1 3 . 1 1 23 23 LYS CB C 23 34.655 34.655 32.428 2.227 18692 967 1 3 . 1 1 23 23 LYS H H 23 8.713 8.713 7.367 1.346 18692 968 1 3 . 1 1 24 24 GLU N N 24 115.943 115.943 117.439 -1.496 18692 969 1 3 . 1 1 24 24 GLU HA H 24 4.730 4.730 4.227 0.503 18692 970 1 3 . 1 1 24 24 GLU C C 24 177.407 177.407 177.409 -0.002 18692 971 1 3 . 1 1 24 24 GLU CA C 24 56.241 56.241 57.101 -0.860 18692 972 1 3 . 1 1 24 24 GLU CB C 24 30.664 30.664 30.617 0.047 18692 973 1 3 . 1 1 24 24 GLU H H 24 8.225 8.225 7.724 0.501 18692 974 1 3 . 1 1 25 25 MET N N 25 115.075 115.075 118.399 -3.324 18692 975 1 3 . 1 1 25 25 MET HA H 25 4.832 4.832 4.291 0.541 18692 976 1 3 . 1 1 25 25 MET C C 25 177.286 177.286 176.104 1.182 18692 977 1 3 . 1 1 25 25 MET CA C 25 55.022 55.022 55.138 -0.116 18692 978 1 3 . 1 1 25 25 MET CB C 25 37.416 37.416 32.415 5.001 18692 979 1 3 . 1 1 25 25 MET H H 25 6.860 6.860 7.619 -0.759 18692 980 1 3 . 1 1 26 26 GLN N N 26 122.801 122.801 121.590 1.211 18692 981 1 3 . 1 1 26 26 GLN HA H 26 4.345 4.345 4.360 -0.015 18692 982 1 3 . 1 1 26 26 GLN C C 26 175.718 175.718 176.161 -0.443 18692 983 1 3 . 1 1 26 26 GLN CA C 26 52.909 52.909 56.542 -3.633 18692 984 1 3 . 1 1 26 26 GLN CB C 26 28.417 28.417 28.949 -0.532 18692 985 1 3 . 1 1 26 26 GLN H H 26 9.264 9.264 8.357 0.907 18692 986 1 3 . 1 1 27 27 PRO HA H 27 3.915 3.915 4.308 -0.393 18692 987 1 3 . 1 1 27 27 PRO C C 27 177.450 177.450 175.835 1.615 18692 988 1 3 . 1 1 27 27 PRO CA C 27 64.908 64.908 64.782 0.126 18692 989 1 3 . 1 1 27 27 PRO CB C 27 31.265 31.265 32.278 -1.013 18692 990 1 3 . 1 1 28 28 ASN N N 28 118.995 118.995 113.942 5.053 18692 991 1 3 . 1 1 28 28 ASN HA H 28 4.475 4.475 5.148 -0.673 18692 992 1 3 . 1 1 28 28 ASN C C 28 179.421 179.421 174.209 5.212 18692 993 1 3 . 1 1 28 28 ASN CA C 28 55.368 55.368 52.601 2.767 18692 994 1 3 . 1 1 28 28 ASN CB C 28 38.967 38.967 39.999 -1.032 18692 995 1 3 . 1 1 28 28 ASN H H 28 8.458 8.458 8.147 0.311 18692 996 1 3 . 1 1 29 29 GLU N N 29 123.128 123.128 120.278 2.850 18692 997 1 3 . 1 1 29 29 GLU HA H 29 4.291 4.291 4.585 -0.294 18692 998 1 3 . 1 1 29 29 GLU C C 29 175.883 175.883 174.424 1.459 18692 999 1 3 . 1 1 29 29 GLU CA C 29 56.876 56.876 54.551 2.325 18692 1000 1 3 . 1 1 29 29 GLU CB C 29 31.863 31.863 33.493 -1.630 18692 1001 1 3 . 1 1 29 29 GLU H H 29 8.294 8.294 7.599 0.695 18692 1002 1 3 . 1 1 30 30 VAL N N 30 123.635 123.635 121.037 2.598 18692 1003 1 3 . 1 1 30 30 VAL HA H 30 5.293 5.293 4.746 0.547 18692 1004 1 3 . 1 1 30 30 VAL C C 30 177.201 177.201 174.942 2.259 18692 1005 1 3 . 1 1 30 30 VAL CA C 30 60.562 60.562 60.479 0.083 18692 1006 1 3 . 1 1 30 30 VAL CB C 30 33.419 33.419 34.006 -0.587 18692 1007 1 3 . 1 1 30 30 VAL H H 30 8.067 8.067 8.441 -0.374 18692 1008 1 3 . 1 1 31 31 ALA N N 31 127.391 127.391 130.570 -3.179 18692 1009 1 3 . 1 1 31 31 ALA HA H 31 4.919 4.919 5.016 -0.097 18692 1010 1 3 . 1 1 31 31 ALA C C 31 176.179 176.179 176.062 0.117 18692 1011 1 3 . 1 1 31 31 ALA CA C 31 51.470 51.470 50.011 1.459 18692 1012 1 3 . 1 1 31 31 ALA CB C 31 24.772 24.772 21.662 3.111 18692 1013 1 3 . 1 1 31 31 ALA H H 31 9.086 9.086 8.325 0.761 18692 1014 1 3 . 1 1 32 32 ILE N N 32 118.468 118.468 125.795 -7.327 18692 1015 1 3 . 1 1 32 32 ILE HA H 32 5.102 5.102 4.475 0.627 18692 1016 1 3 . 1 1 32 32 ILE C C 32 176.300 176.300 174.851 1.449 18692 1017 1 3 . 1 1 32 32 ILE CA C 32 59.604 59.604 60.753 -1.149 18692 1018 1 3 . 1 1 32 32 ILE CB C 32 41.416 41.416 38.608 2.808 18692 1019 1 3 . 1 1 32 32 ILE H H 32 8.175 8.175 7.998 0.177 18692 1020 1 3 . 1 1 33 33 PHE N N 33 123.926 123.926 127.763 -3.837 18692 1021 1 3 . 1 1 33 33 PHE HA H 33 5.407 5.407 5.554 -0.147 18692 1022 1 3 . 1 1 33 33 PHE C C 33 176.695 176.695 175.908 0.787 18692 1023 1 3 . 1 1 33 33 PHE CA C 33 56.627 56.627 55.053 1.574 18692 1024 1 3 . 1 1 33 33 PHE CB C 33 41.583 41.583 39.569 2.014 18692 1025 1 3 . 1 1 33 33 PHE H H 33 9.277 9.277 8.887 0.390 18692 1026 1 3 . 1 1 34 34 MET N N 34 120.519 120.519 125.487 -4.968 18692 1027 1 3 . 1 1 34 34 MET HA H 34 5.517 5.517 5.393 0.124 18692 1028 1 3 . 1 1 34 34 MET C C 34 177.123 177.123 174.926 2.197 18692 1029 1 3 . 1 1 34 34 MET CA C 34 53.515 53.515 55.350 -1.835 18692 1030 1 3 . 1 1 34 34 MET CB C 34 36.447 36.447 34.831 1.616 18692 1031 1 3 . 1 1 34 34 MET H H 34 8.606 8.606 8.950 -0.344 18692 1032 1 3 . 1 1 35 35 PHE N N 35 118.119 118.119 121.935 -3.816 18692 1033 1 3 . 1 1 35 35 PHE HA H 35 4.642 4.642 5.222 -0.580 18692 1034 1 3 . 1 1 35 35 PHE C C 35 175.188 175.188 174.161 1.027 18692 1035 1 3 . 1 1 35 35 PHE CA C 35 56.100 56.100 55.543 0.557 18692 1036 1 3 . 1 1 35 35 PHE CB C 35 41.450 41.450 41.023 0.427 18692 1037 1 3 . 1 1 35 35 PHE H H 35 8.832 8.832 8.601 0.231 18692 1038 1 3 . 1 1 36 36 GLU N N 36 120.598 120.598 123.735 -3.137 18692 1039 1 3 . 1 1 36 36 GLU HA H 36 4.890 4.890 4.285 0.606 18692 1040 1 3 . 1 1 36 36 GLU C C 36 179.258 179.258 175.747 3.511 18692 1041 1 3 . 1 1 36 36 GLU CA C 36 57.184 57.184 56.262 0.922 18692 1042 1 3 . 1 1 36 36 GLU CB C 36 30.844 30.844 30.051 0.793 18692 1043 1 3 . 1 1 36 36 GLU H H 36 9.421 9.421 8.882 0.539 18692 1044 1 3 . 1 1 37 37 VAL N N 37 122.817 122.817 120.166 2.651 18692 1045 1 3 . 1 1 37 37 VAL HA H 37 4.230 4.230 4.177 0.053 18692 1046 1 3 . 1 1 37 37 VAL C C 37 176.550 176.550 177.174 -0.624 18692 1047 1 3 . 1 1 37 37 VAL CA C 37 65.923 65.923 62.519 3.405 18692 1048 1 3 . 1 1 37 37 VAL H H 37 9.005 9.005 7.647 1.358 18692 1049 1 3 . 1 1 38 38 GLY N N 38 109.660 109.660 111.349 -1.689 18692 1050 1 3 . 1 1 38 38 GLY C C 38 173.860 173.860 174.353 -0.493 18692 1051 1 3 . 1 1 38 38 GLY CA C 38 44.560 44.560 45.631 -1.071 18692 1052 1 3 . 1 1 38 38 GLY H H 38 8.440 8.440 8.641 -0.201 18692 1053 1 3 . 1 1 39 39 ASP N N 39 119.440 119.440 122.591 -3.151 18692 1054 1 3 . 1 1 39 39 ASP HA H 39 4.910 4.910 4.413 0.497 18692 1055 1 3 . 1 1 39 39 ASP C C 39 177.550 177.550 175.529 2.021 18692 1056 1 3 . 1 1 39 39 ASP CA C 39 54.420 54.420 54.810 -0.390 18692 1057 1 3 . 1 1 39 39 ASP CB C 39 37.150 37.150 39.466 -2.316 18692 1058 1 3 . 1 1 39 39 ASP H H 39 8.330 8.330 8.407 -0.077 18692 1059 1 3 . 1 1 40 40 PHE N N 40 123.361 123.361 121.931 1.430 18692 1060 1 3 . 1 1 40 40 PHE HA H 40 4.620 4.620 4.314 0.306 18692 1061 1 3 . 1 1 40 40 PHE CA C 40 56.250 56.250 59.110 -2.860 18692 1062 1 3 . 1 1 40 40 PHE CB C 40 36.150 36.150 38.799 -2.649 18692 1063 1 3 . 1 1 40 40 PHE H H 40 7.949 7.949 7.633 0.316 18692 1064 1 3 . 1 1 41 41 SER N N 41 121.483 121.483 116.964 4.519 18692 1065 1 3 . 1 1 41 41 SER HA H 41 4.492 4.492 3.923 0.569 18692 1066 1 3 . 1 1 41 41 SER C C 41 174.554 174.554 175.756 -1.202 18692 1067 1 3 . 1 1 41 41 SER CA C 41 59.660 59.660 60.185 -0.525 18692 1068 1 3 . 1 1 41 41 SER CB C 41 63.220 63.220 61.909 1.311 18692 1069 1 3 . 1 1 41 41 SER H H 41 8.519 8.519 7.603 0.916 18692 1070 1 3 . 1 1 42 42 ASN N N 42 118.920 118.920 118.203 0.717 18692 1071 1 3 . 1 1 42 42 ASN HA H 42 4.910 4.910 4.563 0.347 18692 1072 1 3 . 1 1 42 42 ASN CA C 42 53.490 53.490 54.916 -1.426 18692 1073 1 3 . 1 1 42 42 ASN CB C 42 38.120 38.120 38.739 -0.619 18692 1074 1 3 . 1 1 42 42 ASN H H 42 8.330 8.330 7.992 0.338 18692 1075 1 3 . 1 1 43 43 ILE N N 43 121.540 121.540 121.564 -0.024 18692 1076 1 3 . 1 1 43 43 ILE HA H 43 4.180 4.180 3.824 0.356 18692 1077 1 3 . 1 1 43 43 ILE CA C 43 60.110 60.110 65.910 -5.800 18692 1078 1 3 . 1 1 43 43 ILE CB C 43 38.440 38.440 35.188 3.252 18692 1079 1 3 . 1 1 43 43 ILE H H 43 8.293 8.293 7.220 1.073 18692 1080 1 3 . 1 1 44 44 PRO HA H 44 4.461 4.461 4.322 0.139 18692 1081 1 3 . 1 1 44 44 PRO C C 44 176.465 176.465 178.602 -2.137 18692 1082 1 3 . 1 1 44 44 PRO CA C 44 65.358 65.358 65.105 0.253 18692 1083 1 3 . 1 1 44 44 PRO CB C 44 30.441 30.441 31.158 -0.717 18692 1084 1 3 . 1 1 45 45 LYS N N 45 116.236 116.236 118.758 -2.522 18692 1085 1 3 . 1 1 45 45 LYS HA H 45 4.128 4.128 4.085 0.043 18692 1086 1 3 . 1 1 45 45 LYS C C 45 181.467 181.467 178.478 2.989 18692 1087 1 3 . 1 1 45 45 LYS CA C 45 59.712 59.712 58.917 0.795 18692 1088 1 3 . 1 1 45 45 LYS CB C 45 33.281 33.281 32.153 1.128 18692 1089 1 3 . 1 1 45 45 LYS H H 45 7.270 7.270 7.741 -0.471 18692 1090 1 3 . 1 1 46 46 SER N N 46 116.059 116.059 115.912 0.147 18692 1091 1 3 . 1 1 46 46 SER HA H 46 4.080 4.080 4.275 -0.195 18692 1092 1 3 . 1 1 46 46 SER C C 46 177.432 177.432 176.929 0.503 18692 1093 1 3 . 1 1 46 46 SER CA C 46 63.202 63.202 60.882 2.320 18692 1094 1 3 . 1 1 46 46 SER CB C 46 62.118 62.118 62.936 -0.818 18692 1095 1 3 . 1 1 46 46 SER H H 46 8.293 8.293 7.580 0.713 18692 1096 1 3 . 1 1 47 47 ALA N N 47 126.579 126.579 123.902 2.677 18692 1097 1 3 . 1 1 47 47 ALA HA H 47 4.128 4.128 4.021 0.107 18692 1098 1 3 . 1 1 47 47 ALA C C 47 181.528 181.528 178.035 3.493 18692 1099 1 3 . 1 1 47 47 ALA CA C 47 55.704 55.704 54.590 1.114 18692 1100 1 3 . 1 1 47 47 ALA CB C 47 18.326 18.326 18.174 0.152 18692 1101 1 3 . 1 1 47 47 ALA H H 47 6.990 6.990 7.731 -0.741 18692 1102 1 3 . 1 1 48 48 GLU N N 48 117.980 117.980 117.208 0.772 18692 1103 1 3 . 1 1 48 48 GLU HA H 48 4.062 4.062 3.270 0.792 18692 1104 1 3 . 1 1 48 48 GLU C C 48 180.822 180.822 177.309 3.513 18692 1105 1 3 . 1 1 48 48 GLU CA C 48 59.100 59.100 57.535 1.565 18692 1106 1 3 . 1 1 48 48 GLU CB C 48 29.770 29.770 29.410 0.360 18692 1107 1 3 . 1 1 48 48 GLU H H 48 7.863 7.863 7.309 0.554 18692 1108 1 3 . 1 1 49 49 PHE N N 49 122.179 122.179 117.431 4.748 18692 1109 1 3 . 1 1 49 49 PHE HA H 49 4.117 4.117 4.183 -0.066 18692 1110 1 3 . 1 1 49 49 PHE C C 49 179.580 179.580 176.724 2.856 18692 1111 1 3 . 1 1 49 49 PHE CA C 49 57.813 57.813 60.352 -2.539 18692 1112 1 3 . 1 1 49 49 PHE CB C 49 41.695 41.695 39.139 2.556 18692 1113 1 3 . 1 1 49 49 PHE H H 49 8.341 8.341 7.692 0.649 18692 1114 1 3 . 1 1 50 50 ILE N N 50 117.469 117.469 117.597 -0.128 18692 1115 1 3 . 1 1 50 50 ILE HA H 50 3.533 3.533 3.994 -0.461 18692 1116 1 3 . 1 1 50 50 ILE C C 50 179.698 179.698 176.304 3.394 18692 1117 1 3 . 1 1 50 50 ILE CA C 50 62.884 62.884 62.234 0.649 18692 1118 1 3 . 1 1 50 50 ILE CB C 50 36.669 36.669 37.972 -1.303 18692 1119 1 3 . 1 1 50 50 ILE H H 50 8.322 8.322 7.268 1.054 18692 1120 1 3 . 1 1 51 51 GLN N N 51 117.190 117.190 117.630 -0.440 18692 1121 1 3 . 1 1 51 51 GLN HA H 51 4.261 4.261 4.537 -0.276 18692 1122 1 3 . 1 1 51 51 GLN C C 51 182.627 182.627 175.999 6.628 18692 1123 1 3 . 1 1 51 51 GLN CA C 51 58.862 58.862 55.110 3.752 18692 1124 1 3 . 1 1 51 51 GLN CB C 51 28.451 28.451 31.844 -3.393 18692 1125 1 3 . 1 1 51 51 GLN H H 51 7.887 7.887 7.753 0.134 18692 1126 1 3 . 1 1 52 52 SER N N 52 117.670 117.670 120.404 -2.734 18692 1127 1 3 . 1 1 52 52 SER HA H 52 4.137 4.137 4.266 -0.129 18692 1128 1 3 . 1 1 52 52 SER CA C 52 61.401 61.401 60.794 0.607 18692 1129 1 3 . 1 1 52 52 SER CB C 52 62.615 62.615 63.415 -0.800 18692 1130 1 3 . 1 1 52 52 SER H H 52 8.556 8.556 8.746 -0.190 18692 1131 1 3 . 1 1 53 53 LYS N N 53 119.008 119.008 121.968 -2.960 18692 1132 1 3 . 1 1 53 53 LYS HA H 53 4.170 4.170 4.433 -0.263 18692 1133 1 3 . 1 1 53 53 LYS C C 53 177.911 177.911 175.340 2.571 18692 1134 1 3 . 1 1 53 53 LYS CA C 53 54.662 54.662 56.034 -1.372 18692 1135 1 3 . 1 1 53 53 LYS CB C 53 32.652 32.652 32.957 -0.305 18692 1136 1 3 . 1 1 53 53 LYS H H 53 7.064 7.064 7.792 -0.728 18692 1137 1 3 . 1 1 54 54 GLY N N 54 105.188 105.188 110.641 -5.453 18692 1138 1 3 . 1 1 54 54 GLY C C 54 175.528 175.528 173.621 1.907 18692 1139 1 3 . 1 1 54 54 GLY CA C 54 45.118 45.118 45.719 -0.601 18692 1140 1 3 . 1 1 54 54 GLY H H 54 7.548 7.548 8.475 -0.927 18692 1141 1 3 . 1 1 55 55 HIS N N 55 118.294 118.294 122.121 -3.827 18692 1142 1 3 . 1 1 55 55 HIS HA H 55 4.947 4.947 4.670 0.277 18692 1143 1 3 . 1 1 55 55 HIS C C 55 175.240 175.240 174.218 1.022 18692 1144 1 3 . 1 1 55 55 HIS CA C 55 54.847 54.847 55.456 -0.610 18692 1145 1 3 . 1 1 55 55 HIS CB C 55 31.315 31.315 29.154 2.161 18692 1146 1 3 . 1 1 55 55 HIS H H 55 6.998 6.998 8.138 -1.140 18692 1147 1 3 . 1 1 56 56 GLU N N 56 118.205 118.205 125.861 -7.656 18692 1148 1 3 . 1 1 56 56 GLU HA H 56 4.666 4.666 4.472 0.194 18692 1149 1 3 . 1 1 56 56 GLU C C 56 176.766 176.766 174.906 1.860 18692 1150 1 3 . 1 1 56 56 GLU CA C 56 55.162 55.162 54.917 0.245 18692 1151 1 3 . 1 1 56 56 GLU CB C 56 33.110 33.110 32.270 0.840 18692 1152 1 3 . 1 1 56 56 GLU H H 56 8.509 8.509 8.072 0.437 18692 1153 1 3 . 1 1 57 57 LEU N N 57 127.769 127.769 127.359 0.410 18692 1154 1 3 . 1 1 57 57 LEU HA H 57 4.786 4.786 4.728 0.058 18692 1155 1 3 . 1 1 57 57 LEU C C 57 177.854 177.854 177.599 0.255 18692 1156 1 3 . 1 1 57 57 LEU CA C 57 53.780 53.780 53.812 -0.032 18692 1157 1 3 . 1 1 57 57 LEU CB C 57 42.676 42.676 40.353 2.323 18692 1158 1 3 . 1 1 57 57 LEU H H 57 8.978 8.978 8.868 0.110 18692 1159 1 3 . 1 1 58 58 LEU N N 58 128.364 128.364 125.238 3.126 18692 1160 1 3 . 1 1 58 58 LEU HA H 58 4.402 4.402 4.038 0.364 18692 1161 1 3 . 1 1 58 58 LEU C C 58 179.469 179.469 177.385 2.084 18692 1162 1 3 . 1 1 58 58 LEU CA C 58 56.534 56.534 57.711 -1.177 18692 1163 1 3 . 1 1 58 58 LEU CB C 58 42.371 42.371 42.589 -0.218 18692 1164 1 3 . 1 1 58 58 LEU H H 58 9.128 9.128 8.046 1.082 18692 1165 1 3 . 1 1 59 59 ASN N N 59 113.622 113.622 115.966 -2.344 18692 1166 1 3 . 1 1 59 59 ASN HA H 59 4.918 4.918 4.875 0.043 18692 1167 1 3 . 1 1 59 59 ASN C C 59 175.560 175.560 174.140 1.420 18692 1168 1 3 . 1 1 59 59 ASN CA C 59 52.389 52.389 52.242 0.147 18692 1169 1 3 . 1 1 59 59 ASN CB C 59 41.887 41.887 39.527 2.360 18692 1170 1 3 . 1 1 59 59 ASN H H 59 7.574 7.574 7.873 -0.299 18692 1171 1 3 . 1 1 60 60 SER N N 60 118.134 118.134 120.750 -2.616 18692 1172 1 3 . 1 1 60 60 SER HA H 60 4.045 4.045 4.309 -0.264 18692 1173 1 3 . 1 1 60 60 SER CA C 60 56.925 56.925 58.547 -1.622 18692 1174 1 3 . 1 1 60 60 SER CB C 60 63.649 63.649 63.911 -0.262 18692 1175 1 3 . 1 1 60 60 SER H H 60 8.436 8.436 8.558 -0.122 18692 1176 1 3 . 1 1 61 61 LEU N N 61 128.266 128.266 121.621 6.645 18692 1177 1 3 . 1 1 61 61 LEU HA H 61 4.219 4.219 4.580 -0.361 18692 1178 1 3 . 1 1 61 61 LEU CA C 61 55.106 55.106 55.802 -0.696 18692 1179 1 3 . 1 1 61 61 LEU CB C 61 44.577 44.577 42.424 2.153 18692 1180 1 3 . 1 1 61 61 LEU H H 61 8.725 8.725 8.076 0.649 18692 1181 1 3 . 1 1 62 62 ARG N N 62 122.383 122.383 125.021 -2.638 18692 1182 1 3 . 1 1 62 62 ARG HA H 62 4.312 4.312 4.355 -0.043 18692 1183 1 3 . 1 1 62 62 ARG C C 62 176.560 176.560 174.916 1.644 18692 1184 1 3 . 1 1 62 62 ARG CA C 62 57.290 57.290 54.518 2.772 18692 1185 1 3 . 1 1 62 62 ARG CB C 62 30.828 30.828 29.223 1.605 18692 1186 1 3 . 1 1 62 62 ARG H H 62 7.303 7.303 9.071 -1.768 18692 1187 1 3 . 1 1 63 63 PHE N N 63 120.560 120.560 122.517 -1.957 18692 1188 1 3 . 1 1 63 63 PHE HA H 63 4.613 4.613 4.641 -0.028 18692 1189 1 3 . 1 1 63 63 PHE CA C 63 61.377 61.377 58.190 3.187 18692 1190 1 3 . 1 1 63 63 PHE CB C 63 39.908 39.908 39.288 0.620 18692 1191 1 3 . 1 1 63 63 PHE H H 63 8.321 8.321 8.007 0.314 18692 1192 1 3 . 1 1 64 64 ASN N N 64 117.616 117.616 122.970 -5.354 18692 1193 1 3 . 1 1 64 64 ASN HA H 64 4.377 4.377 4.470 -0.093 18692 1194 1 3 . 1 1 64 64 ASN C C 64 176.642 176.642 174.484 2.158 18692 1195 1 3 . 1 1 64 64 ASN CA C 64 53.465 53.465 53.312 0.153 18692 1196 1 3 . 1 1 64 64 ASN CB C 64 37.450 37.450 39.119 -1.669 18692 1197 1 3 . 1 1 64 64 ASN H H 64 8.101 8.101 8.714 -0.613 18692 1198 1 3 . 1 1 65 65 GLN N N 65 115.548 115.548 120.142 -4.594 18692 1199 1 3 . 1 1 65 65 GLN HA H 65 4.275 4.275 4.564 -0.289 18692 1200 1 3 . 1 1 65 65 GLN C C 65 178.411 178.411 174.861 3.550 18692 1201 1 3 . 1 1 65 65 GLN CA C 65 59.127 59.127 54.998 4.129 18692 1202 1 3 . 1 1 65 65 GLN CB C 65 28.650 28.650 31.081 -2.430 18692 1203 1 3 . 1 1 65 65 GLN H H 65 8.330 8.330 7.861 0.469 18692 1204 1 3 . 1 1 66 66 ALA N N 66 120.802 120.802 123.196 -2.394 18692 1205 1 3 . 1 1 66 66 ALA HA H 66 4.652 4.652 4.219 0.433 18692 1206 1 3 . 1 1 66 66 ALA C C 66 178.893 178.893 176.905 1.988 18692 1207 1 3 . 1 1 66 66 ALA CA C 66 52.751 52.751 52.281 0.470 18692 1208 1 3 . 1 1 66 66 ALA CB C 66 21.705 21.705 19.194 2.511 18692 1209 1 3 . 1 1 66 66 ALA H H 66 8.346 8.346 8.277 0.069 18692 1210 1 3 . 1 1 67 67 ASP N N 67 118.909 118.909 118.502 0.407 18692 1211 1 3 . 1 1 67 67 ASP HA H 67 4.612 4.612 4.320 0.292 18692 1212 1 3 . 1 1 67 67 ASP C C 67 175.639 175.639 175.251 0.388 18692 1213 1 3 . 1 1 67 67 ASP CA C 67 54.726 54.726 54.731 -0.005 18692 1214 1 3 . 1 1 67 67 ASP CB C 67 45.152 45.152 40.846 4.306 18692 1215 1 3 . 1 1 67 67 ASP H H 67 8.117 8.117 8.221 -0.104 18692 1216 1 3 . 1 1 68 68 TRP HA H 68 4.477 4.477 4.803 -0.326 18692 1217 1 3 . 1 1 68 68 TRP CA C 68 56.253 56.253 55.824 0.429 18692 1218 1 3 . 1 1 68 68 TRP CB C 68 33.719 33.719 33.289 0.430 18692 1219 1 3 . 1 1 68 68 TRP H H 68 8.310 8.310 7.760 0.550 18692 1220 1 3 . 1 1 69 69 THR N N 69 114.495 114.495 110.428 4.067 18692 1221 1 3 . 1 1 69 69 THR HA H 69 5.605 5.605 4.842 0.763 18692 1222 1 3 . 1 1 69 69 THR C C 69 176.005 176.005 173.130 2.875 18692 1223 1 3 . 1 1 69 69 THR CA C 69 58.855 58.855 61.062 -2.207 18692 1224 1 3 . 1 1 69 69 THR CB C 69 72.755 72.755 70.614 2.141 18692 1225 1 3 . 1 1 69 69 THR H H 69 7.985 7.985 8.214 -0.229 18692 1226 1 3 . 1 1 70 70 ILE N N 70 114.448 114.448 125.714 -11.266 18692 1227 1 3 . 1 1 70 70 ILE HA H 70 5.384 5.384 4.712 0.672 18692 1228 1 3 . 1 1 70 70 ILE C C 70 175.751 175.751 173.901 1.850 18692 1229 1 3 . 1 1 70 70 ILE CA C 70 59.637 59.637 58.911 0.726 18692 1230 1 3 . 1 1 70 70 ILE CB C 70 41.689 41.689 41.995 -0.306 18692 1231 1 3 . 1 1 70 70 ILE H H 70 8.807 8.807 8.269 0.538 18692 1232 1 3 . 1 1 71 71 VAL N N 71 124.084 124.084 126.651 -2.567 18692 1233 1 3 . 1 1 71 71 VAL HA H 71 5.012 5.012 4.670 0.343 18692 1234 1 3 . 1 1 71 71 VAL C C 71 177.625 177.625 174.595 3.030 18692 1235 1 3 . 1 1 71 71 VAL CA C 71 61.647 61.647 60.724 0.923 18692 1236 1 3 . 1 1 71 71 VAL CB C 71 32.482 32.482 32.339 0.143 18692 1237 1 3 . 1 1 71 71 VAL H H 71 8.500 8.500 8.501 -0.001 18692 1238 1 3 . 1 1 72 72 VAL N N 72 127.753 127.753 124.584 3.169 18692 1239 1 3 . 1 1 72 72 VAL HA H 72 5.147 5.147 4.439 0.708 18692 1240 1 3 . 1 1 72 72 VAL C C 72 175.444 175.444 175.086 0.358 18692 1241 1 3 . 1 1 72 72 VAL CA C 72 60.252 60.252 60.477 -0.225 18692 1242 1 3 . 1 1 72 72 VAL CB C 72 37.425 37.425 33.768 3.657 18692 1243 1 3 . 1 1 72 72 VAL H H 72 9.280 9.280 8.410 0.870 18692 1244 1 3 . 1 1 73 73 ARG N N 73 125.839 125.839 126.692 -0.853 18692 1245 1 3 . 1 1 73 73 ARG HA H 73 5.458 5.458 5.179 0.279 18692 1246 1 3 . 1 1 73 73 ARG C C 73 177.981 177.981 176.347 1.634 18692 1247 1 3 . 1 1 73 73 ARG CA C 73 53.788 53.788 54.121 -0.333 18692 1248 1 3 . 1 1 73 73 ARG CB C 73 33.855 33.855 31.159 2.696 18692 1249 1 3 . 1 1 73 73 ARG H H 73 9.194 9.194 8.458 0.736 18692 1250 1 3 . 1 1 74 74 LYS N N 74 129.522 129.522 125.265 4.257 18692 1251 1 3 . 1 1 74 74 LYS HA H 74 4.323 4.323 4.229 0.094 18692 1252 1 3 . 1 1 74 74 LYS C C 74 178.340 178.340 176.136 2.204 18692 1253 1 3 . 1 1 74 74 LYS CA C 74 55.983 55.983 57.328 -1.345 18692 1254 1 3 . 1 1 74 74 LYS CB C 74 33.103 33.103 33.574 -0.471 18692 1255 1 3 . 1 1 74 74 LYS H H 74 10.930 10.930 8.379 2.551 18692 1256 1 3 . 1 1 75 75 LYS N N 75 131.817 131.817 118.082 13.735 18692 1257 1 3 . 1 1 75 75 LYS HA H 75 4.489 4.489 4.621 -0.132 18692 1258 1 3 . 1 1 75 75 LYS CA C 75 55.927 55.927 55.506 0.421 18692 1259 1 3 . 1 1 75 75 LYS CB C 75 29.730 29.730 35.725 -5.995 18692 1260 1 3 . 1 1 75 75 LYS H H 75 10.873 10.873 8.278 2.595 18692 1261 1 4 . 1 1 2 2 LYS N N 2 127.399 127.399 118.235 9.164 18692 1262 1 4 . 1 1 2 2 LYS HA H 2 3.954 3.954 4.000 -0.046 18692 1263 1 4 . 1 1 2 2 LYS C C 2 175.826 175.826 174.250 1.576 18692 1264 1 4 . 1 1 2 2 LYS CA C 2 57.475 57.475 57.733 -0.258 18692 1265 1 4 . 1 1 2 2 LYS CB C 2 34.009 34.009 30.324 3.685 18692 1266 1 4 . 1 1 2 2 LYS H H 2 9.167 9.167 8.447 0.720 18692 1267 1 4 . 1 1 3 3 ARG N N 3 121.207 121.207 116.413 4.794 18692 1268 1 4 . 1 1 3 3 ARG HA H 3 4.797 4.797 4.805 -0.008 18692 1269 1 4 . 1 1 3 3 ARG C C 3 176.719 176.719 174.307 2.412 18692 1270 1 4 . 1 1 3 3 ARG CA C 3 54.082 54.082 55.025 -0.943 18692 1271 1 4 . 1 1 3 3 ARG CB C 3 32.816 32.816 32.871 -0.055 18692 1272 1 4 . 1 1 3 3 ARG H H 3 7.705 7.705 7.671 0.034 18692 1273 1 4 . 1 1 4 4 PHE N N 4 124.380 124.380 120.985 3.395 18692 1274 1 4 . 1 1 4 4 PHE HA H 4 4.729 4.729 4.823 -0.094 18692 1275 1 4 . 1 1 4 4 PHE C C 4 176.180 176.180 174.003 2.177 18692 1276 1 4 . 1 1 4 4 PHE CA C 4 56.584 56.584 57.218 -0.634 18692 1277 1 4 . 1 1 4 4 PHE CB C 4 41.758 41.758 42.604 -0.846 18692 1278 1 4 . 1 1 4 4 PHE H H 4 8.913 8.913 9.471 -0.558 18692 1279 1 4 . 1 1 5 5 ASP N N 5 123.331 123.331 128.559 -5.228 18692 1280 1 4 . 1 1 5 5 ASP HA H 5 4.390 4.390 4.940 -0.550 18692 1281 1 4 . 1 1 5 5 ASP C C 5 177.524 177.524 175.454 2.070 18692 1282 1 4 . 1 1 5 5 ASP CA C 5 53.344 53.344 53.850 -0.506 18692 1283 1 4 . 1 1 5 5 ASP CB C 5 41.043 41.043 40.975 0.068 18692 1284 1 4 . 1 1 5 5 ASP H H 5 9.113 9.113 8.655 0.458 18692 1285 1 4 . 1 1 6 6 LEU N N 6 122.540 122.540 124.488 -1.948 18692 1286 1 4 . 1 1 6 6 LEU HA H 6 4.304 4.304 4.484 -0.180 18692 1287 1 4 . 1 1 6 6 LEU CA C 6 55.260 55.260 54.560 0.700 18692 1288 1 4 . 1 1 6 6 LEU CB C 6 42.680 42.680 41.706 0.974 18692 1289 1 4 . 1 1 6 6 LEU H H 6 8.305 8.305 8.436 -0.131 18692 1290 1 4 . 1 1 7 7 ARG N N 7 121.715 121.715 121.607 0.108 18692 1291 1 4 . 1 1 7 7 ARG HA H 7 4.156 4.156 4.081 0.075 18692 1292 1 4 . 1 1 7 7 ARG C C 7 177.664 177.664 175.524 2.140 18692 1293 1 4 . 1 1 7 7 ARG CA C 7 56.463 56.463 60.283 -3.820 18692 1294 1 4 . 1 1 7 7 ARG CB C 7 29.315 29.315 28.631 0.683 18692 1295 1 4 . 1 1 7 7 ARG H H 7 8.293 8.293 8.266 0.027 18692 1296 1 4 . 1 1 8 8 PRO HA H 8 4.365 4.365 4.322 0.043 18692 1297 1 4 . 1 1 8 8 PRO C C 8 178.886 178.886 176.656 2.230 18692 1298 1 4 . 1 1 8 8 PRO CA C 8 65.193 65.193 63.413 1.780 18692 1299 1 4 . 1 1 8 8 PRO CB C 8 31.566 31.566 31.724 -0.158 18692 1300 1 4 . 1 1 9 9 LEU N N 9 114.107 114.107 121.619 -7.512 18692 1301 1 4 . 1 1 9 9 LEU HA H 9 4.175 4.175 4.314 -0.139 18692 1302 1 4 . 1 1 9 9 LEU C C 9 178.897 178.897 176.344 2.553 18692 1303 1 4 . 1 1 9 9 LEU CA C 9 54.878 54.878 54.818 0.060 18692 1304 1 4 . 1 1 9 9 LEU CB C 9 41.222 41.222 43.448 -2.226 18692 1305 1 4 . 1 1 9 9 LEU H H 9 7.310 7.310 7.116 0.194 18692 1306 1 4 . 1 1 10 10 LYS N N 10 116.563 116.563 123.353 -6.790 18692 1307 1 4 . 1 1 10 10 LYS HA H 10 3.823 3.823 4.272 -0.449 18692 1308 1 4 . 1 1 10 10 LYS C C 10 178.805 178.805 175.839 2.966 18692 1309 1 4 . 1 1 10 10 LYS CA C 10 57.693 57.693 55.577 2.116 18692 1310 1 4 . 1 1 10 10 LYS CB C 10 34.124 34.124 33.318 0.806 18692 1311 1 4 . 1 1 10 10 LYS H H 10 8.132 8.132 8.160 -0.028 18692 1312 1 4 . 1 1 11 11 ALA N N 11 124.134 124.134 123.359 0.775 18692 1313 1 4 . 1 1 11 11 ALA HA H 11 4.399 4.399 3.889 0.510 18692 1314 1 4 . 1 1 11 11 ALA C C 11 178.877 178.877 177.961 0.916 18692 1315 1 4 . 1 1 11 11 ALA CA C 11 53.292 53.292 53.145 0.147 18692 1316 1 4 . 1 1 11 11 ALA CB C 11 19.310 19.310 18.502 0.808 18692 1317 1 4 . 1 1 11 11 ALA H H 11 8.239 8.239 8.402 -0.163 18692 1318 1 4 . 1 1 12 12 GLY N N 12 108.661 108.661 110.922 -2.261 18692 1319 1 4 . 1 1 12 12 GLY C C 12 178.614 178.614 175.351 3.263 18692 1320 1 4 . 1 1 12 12 GLY CA C 12 47.640 47.640 45.578 2.062 18692 1321 1 4 . 1 1 12 12 GLY H H 12 8.186 8.186 8.967 -0.781 18692 1322 1 4 . 1 1 13 13 ILE N N 13 123.465 123.465 123.968 -0.503 18692 1323 1 4 . 1 1 13 13 ILE HA H 13 4.150 4.150 4.259 -0.109 18692 1324 1 4 . 1 1 13 13 ILE C C 13 177.234 177.234 176.659 0.575 18692 1325 1 4 . 1 1 13 13 ILE CA C 13 60.500 60.500 62.813 -2.313 18692 1326 1 4 . 1 1 13 13 ILE CB C 13 36.970 36.970 38.619 -1.649 18692 1327 1 4 . 1 1 13 13 ILE H H 13 8.309 8.309 7.353 0.956 18692 1328 1 4 . 1 1 14 14 PHE N N 14 119.560 119.560 120.075 -0.515 18692 1329 1 4 . 1 1 14 14 PHE HA H 14 3.354 3.354 4.149 -0.795 18692 1330 1 4 . 1 1 14 14 PHE C C 14 179.301 179.301 176.747 2.554 18692 1331 1 4 . 1 1 14 14 PHE CA C 14 63.883 63.883 61.116 2.767 18692 1332 1 4 . 1 1 14 14 PHE CB C 14 37.608 37.608 37.867 -0.259 18692 1333 1 4 . 1 1 14 14 PHE H H 14 7.801 7.801 8.009 -0.208 18692 1334 1 4 . 1 1 15 15 GLU N N 15 121.567 121.567 119.379 2.188 18692 1335 1 4 . 1 1 15 15 GLU HA H 15 4.260 4.260 3.481 0.779 18692 1336 1 4 . 1 1 15 15 GLU C C 15 181.428 181.428 177.340 4.088 18692 1337 1 4 . 1 1 15 15 GLU CA C 15 60.579 60.579 57.743 2.836 18692 1338 1 4 . 1 1 15 15 GLU CB C 15 28.158 28.158 28.905 -0.747 18692 1339 1 4 . 1 1 15 15 GLU H H 15 8.331 8.331 8.265 0.066 18692 1340 1 4 . 1 1 16 16 ARG N N 16 121.602 121.602 119.236 2.366 18692 1341 1 4 . 1 1 16 16 ARG HA H 16 4.104 4.104 3.797 0.307 18692 1342 1 4 . 1 1 16 16 ARG C C 16 179.418 179.418 178.844 0.574 18692 1343 1 4 . 1 1 16 16 ARG CA C 16 56.877 56.877 58.127 -1.250 18692 1344 1 4 . 1 1 16 16 ARG CB C 16 29.397 29.397 30.244 -0.847 18692 1345 1 4 . 1 1 16 16 ARG H H 16 8.240 8.240 7.504 0.736 18692 1346 1 4 . 1 1 17 17 LEU N N 17 119.769 119.769 119.615 0.154 18692 1347 1 4 . 1 1 17 17 LEU HA H 17 3.619 3.619 4.148 -0.529 18692 1348 1 4 . 1 1 17 17 LEU C C 17 179.136 179.136 177.870 1.266 18692 1349 1 4 . 1 1 17 17 LEU CA C 17 59.104 59.104 56.108 2.996 18692 1350 1 4 . 1 1 17 17 LEU CB C 17 42.770 42.770 41.489 1.281 18692 1351 1 4 . 1 1 17 17 LEU H H 17 8.134 8.134 8.544 -0.410 18692 1352 1 4 . 1 1 18 18 GLU N N 18 115.547 115.547 118.430 -2.883 18692 1353 1 4 . 1 1 18 18 GLU HA H 18 3.889 3.889 3.316 0.573 18692 1354 1 4 . 1 1 18 18 GLU C C 18 179.643 179.643 178.161 1.482 18692 1355 1 4 . 1 1 18 18 GLU CA C 18 59.929 59.929 59.531 0.398 18692 1356 1 4 . 1 1 18 18 GLU CB C 18 29.170 29.170 28.895 0.275 18692 1357 1 4 . 1 1 18 18 GLU H H 18 7.674 7.674 7.663 0.011 18692 1358 1 4 . 1 1 19 19 GLU N N 19 119.211 119.211 119.049 0.162 18692 1359 1 4 . 1 1 19 19 GLU HA H 19 4.047 4.047 3.987 0.060 18692 1360 1 4 . 1 1 19 19 GLU C C 19 180.374 180.374 178.075 2.299 18692 1361 1 4 . 1 1 19 19 GLU CA C 19 59.441 59.441 58.755 0.686 18692 1362 1 4 . 1 1 19 19 GLU CB C 19 30.269 30.269 29.430 0.839 18692 1363 1 4 . 1 1 19 19 GLU H H 19 7.782 7.782 7.385 0.397 18692 1364 1 4 . 1 1 20 20 LEU N N 20 119.264 119.264 119.780 -0.516 18692 1365 1 4 . 1 1 20 20 LEU HA H 20 3.761 3.761 3.950 -0.189 18692 1366 1 4 . 1 1 20 20 LEU C C 20 181.666 181.666 178.912 2.754 18692 1367 1 4 . 1 1 20 20 LEU CA C 20 57.862 57.862 57.775 0.087 18692 1368 1 4 . 1 1 20 20 LEU CB C 20 42.111 42.111 41.919 0.192 18692 1369 1 4 . 1 1 20 20 LEU H H 20 8.507 8.507 7.107 1.400 18692 1370 1 4 . 1 1 21 21 ILE N N 21 117.879 117.879 117.349 0.530 18692 1371 1 4 . 1 1 21 21 ILE HA H 21 3.697 3.697 3.839 -0.142 18692 1372 1 4 . 1 1 21 21 ILE C C 21 181.696 181.696 176.996 4.700 18692 1373 1 4 . 1 1 21 21 ILE CA C 21 65.174 65.174 62.394 2.780 18692 1374 1 4 . 1 1 21 21 ILE CB C 21 38.420 38.420 37.802 0.618 18692 1375 1 4 . 1 1 21 21 ILE H H 21 7.750 7.750 7.013 0.737 18692 1376 1 4 . 1 1 22 22 GLU N N 22 116.656 116.656 120.177 -3.521 18692 1377 1 4 . 1 1 22 22 GLU HA H 22 3.891 3.891 3.948 -0.057 18692 1378 1 4 . 1 1 22 22 GLU C C 22 180.424 180.424 178.947 1.477 18692 1379 1 4 . 1 1 22 22 GLU CA C 22 59.864 59.864 58.918 0.946 18692 1380 1 4 . 1 1 22 22 GLU CB C 22 30.047 30.047 28.902 1.145 18692 1381 1 4 . 1 1 22 22 GLU H H 22 8.203 8.203 7.561 0.642 18692 1382 1 4 . 1 1 23 23 LYS N N 23 113.426 113.426 118.713 -5.287 18692 1383 1 4 . 1 1 23 23 LYS HA H 23 4.392 4.392 4.061 0.331 18692 1384 1 4 . 1 1 23 23 LYS C C 23 180.639 180.639 179.133 1.506 18692 1385 1 4 . 1 1 23 23 LYS CA C 23 57.952 57.952 59.257 -1.305 18692 1386 1 4 . 1 1 23 23 LYS CB C 23 34.655 34.655 32.295 2.360 18692 1387 1 4 . 1 1 23 23 LYS H H 23 8.713 8.713 7.434 1.279 18692 1388 1 4 . 1 1 24 24 GLU N N 24 115.943 115.943 117.894 -1.951 18692 1389 1 4 . 1 1 24 24 GLU HA H 24 4.730 4.730 4.160 0.570 18692 1390 1 4 . 1 1 24 24 GLU C C 24 177.407 177.407 176.986 0.421 18692 1391 1 4 . 1 1 24 24 GLU CA C 24 56.241 56.241 57.300 -1.059 18692 1392 1 4 . 1 1 24 24 GLU CB C 24 30.664 30.664 30.217 0.447 18692 1393 1 4 . 1 1 24 24 GLU H H 24 8.225 8.225 7.682 0.543 18692 1394 1 4 . 1 1 25 25 MET N N 25 115.075 115.075 118.107 -3.032 18692 1395 1 4 . 1 1 25 25 MET HA H 25 4.832 4.832 4.447 0.385 18692 1396 1 4 . 1 1 25 25 MET C C 25 177.286 177.286 175.741 1.545 18692 1397 1 4 . 1 1 25 25 MET CA C 25 55.022 55.022 54.429 0.593 18692 1398 1 4 . 1 1 25 25 MET CB C 25 37.416 37.416 32.968 4.448 18692 1399 1 4 . 1 1 25 25 MET H H 25 6.860 6.860 7.309 -0.449 18692 1400 1 4 . 1 1 26 26 GLN N N 26 122.801 122.801 121.950 0.851 18692 1401 1 4 . 1 1 26 26 GLN HA H 26 4.345 4.345 4.309 0.036 18692 1402 1 4 . 1 1 26 26 GLN C C 26 175.718 175.718 175.993 -0.275 18692 1403 1 4 . 1 1 26 26 GLN CA C 26 52.909 52.909 56.741 -3.832 18692 1404 1 4 . 1 1 26 26 GLN CB C 26 28.417 28.417 28.625 -0.208 18692 1405 1 4 . 1 1 26 26 GLN H H 26 9.264 9.264 8.559 0.705 18692 1406 1 4 . 1 1 27 27 PRO HA H 27 3.915 3.915 4.321 -0.406 18692 1407 1 4 . 1 1 27 27 PRO C C 27 177.450 177.450 175.864 1.586 18692 1408 1 4 . 1 1 27 27 PRO CA C 27 64.908 64.908 64.700 0.208 18692 1409 1 4 . 1 1 27 27 PRO CB C 27 31.265 31.265 32.273 -1.008 18692 1410 1 4 . 1 1 28 28 ASN N N 28 118.995 118.995 113.748 5.247 18692 1411 1 4 . 1 1 28 28 ASN HA H 28 4.475 4.475 5.197 -0.722 18692 1412 1 4 . 1 1 28 28 ASN C C 28 179.421 179.421 174.166 5.255 18692 1413 1 4 . 1 1 28 28 ASN CA C 28 55.368 55.368 52.407 2.961 18692 1414 1 4 . 1 1 28 28 ASN CB C 28 38.967 38.967 39.623 -0.656 18692 1415 1 4 . 1 1 28 28 ASN H H 28 8.458 8.458 8.130 0.328 18692 1416 1 4 . 1 1 29 29 GLU N N 29 123.128 123.128 119.855 3.273 18692 1417 1 4 . 1 1 29 29 GLU HA H 29 4.291 4.291 4.597 -0.306 18692 1418 1 4 . 1 1 29 29 GLU C C 29 175.883 175.883 174.419 1.464 18692 1419 1 4 . 1 1 29 29 GLU CA C 29 56.876 56.876 54.347 2.529 18692 1420 1 4 . 1 1 29 29 GLU CB C 29 31.863 31.863 33.647 -1.784 18692 1421 1 4 . 1 1 29 29 GLU H H 29 8.294 8.294 7.589 0.705 18692 1422 1 4 . 1 1 30 30 VAL N N 30 123.635 123.635 120.608 3.027 18692 1423 1 4 . 1 1 30 30 VAL HA H 30 5.293 5.293 4.751 0.542 18692 1424 1 4 . 1 1 30 30 VAL C C 30 177.201 177.201 175.162 2.039 18692 1425 1 4 . 1 1 30 30 VAL CA C 30 60.562 60.562 61.295 -0.733 18692 1426 1 4 . 1 1 30 30 VAL CB C 30 33.419 33.419 34.319 -0.900 18692 1427 1 4 . 1 1 30 30 VAL H H 30 8.067 8.067 8.479 -0.412 18692 1428 1 4 . 1 1 31 31 ALA N N 31 127.391 127.391 129.945 -2.554 18692 1429 1 4 . 1 1 31 31 ALA HA H 31 4.919 4.919 5.050 -0.131 18692 1430 1 4 . 1 1 31 31 ALA C C 31 176.179 176.179 176.053 0.126 18692 1431 1 4 . 1 1 31 31 ALA CA C 31 51.470 51.470 50.059 1.411 18692 1432 1 4 . 1 1 31 31 ALA CB C 31 24.772 24.772 21.739 3.033 18692 1433 1 4 . 1 1 31 31 ALA H H 31 9.086 9.086 8.483 0.603 18692 1434 1 4 . 1 1 32 32 ILE N N 32 118.468 118.468 125.756 -7.288 18692 1435 1 4 . 1 1 32 32 ILE HA H 32 5.102 5.102 4.489 0.613 18692 1436 1 4 . 1 1 32 32 ILE C C 32 176.300 176.300 174.842 1.458 18692 1437 1 4 . 1 1 32 32 ILE CA C 32 59.604 59.604 60.709 -1.105 18692 1438 1 4 . 1 1 32 32 ILE CB C 32 41.416 41.416 38.706 2.710 18692 1439 1 4 . 1 1 32 32 ILE H H 32 8.175 8.175 7.980 0.195 18692 1440 1 4 . 1 1 33 33 PHE N N 33 123.926 123.926 127.710 -3.784 18692 1441 1 4 . 1 1 33 33 PHE HA H 33 5.407 5.407 5.567 -0.160 18692 1442 1 4 . 1 1 33 33 PHE C C 33 176.695 176.695 175.818 0.877 18692 1443 1 4 . 1 1 33 33 PHE CA C 33 56.627 56.627 55.069 1.558 18692 1444 1 4 . 1 1 33 33 PHE CB C 33 41.583 41.583 39.782 1.801 18692 1445 1 4 . 1 1 33 33 PHE H H 33 9.277 9.277 8.833 0.444 18692 1446 1 4 . 1 1 34 34 MET N N 34 120.519 120.519 125.289 -4.770 18692 1447 1 4 . 1 1 34 34 MET HA H 34 5.517 5.517 5.442 0.075 18692 1448 1 4 . 1 1 34 34 MET C C 34 177.123 177.123 174.894 2.229 18692 1449 1 4 . 1 1 34 34 MET CA C 34 53.515 53.515 55.174 -1.659 18692 1450 1 4 . 1 1 34 34 MET CB C 34 36.447 36.447 34.971 1.476 18692 1451 1 4 . 1 1 34 34 MET H H 34 8.606 8.606 9.060 -0.454 18692 1452 1 4 . 1 1 35 35 PHE N N 35 118.119 118.119 121.885 -3.766 18692 1453 1 4 . 1 1 35 35 PHE HA H 35 4.642 4.642 5.227 -0.585 18692 1454 1 4 . 1 1 35 35 PHE C C 35 175.188 175.188 174.172 1.016 18692 1455 1 4 . 1 1 35 35 PHE CA C 35 56.100 56.100 55.532 0.568 18692 1456 1 4 . 1 1 35 35 PHE CB C 35 41.450 41.450 41.054 0.396 18692 1457 1 4 . 1 1 35 35 PHE H H 35 8.832 8.832 8.605 0.227 18692 1458 1 4 . 1 1 36 36 GLU N N 36 120.598 120.598 123.737 -3.139 18692 1459 1 4 . 1 1 36 36 GLU HA H 36 4.890 4.890 4.290 0.600 18692 1460 1 4 . 1 1 36 36 GLU C C 36 179.258 179.258 175.767 3.491 18692 1461 1 4 . 1 1 36 36 GLU CA C 36 57.184 57.184 56.238 0.946 18692 1462 1 4 . 1 1 36 36 GLU CB C 36 30.844 30.844 30.025 0.819 18692 1463 1 4 . 1 1 36 36 GLU H H 36 9.421 9.421 8.885 0.536 18692 1464 1 4 . 1 1 37 37 VAL N N 37 122.817 122.817 119.924 2.893 18692 1465 1 4 . 1 1 37 37 VAL HA H 37 4.230 4.230 4.186 0.044 18692 1466 1 4 . 1 1 37 37 VAL C C 37 176.550 176.550 177.243 -0.693 18692 1467 1 4 . 1 1 37 37 VAL CA C 37 65.923 65.923 62.512 3.411 18692 1468 1 4 . 1 1 37 37 VAL H H 37 9.005 9.005 7.577 1.429 18692 1469 1 4 . 1 1 38 38 GLY N N 38 109.660 109.660 110.088 -0.428 18692 1470 1 4 . 1 1 38 38 GLY C C 38 173.860 173.860 174.529 -0.669 18692 1471 1 4 . 1 1 38 38 GLY CA C 38 44.560 44.560 45.436 -0.876 18692 1472 1 4 . 1 1 38 38 GLY H H 38 8.440 8.440 8.644 -0.204 18692 1473 1 4 . 1 1 39 39 ASP N N 39 119.440 119.440 121.440 -2.000 18692 1474 1 4 . 1 1 39 39 ASP HA H 39 4.910 4.910 4.469 0.441 18692 1475 1 4 . 1 1 39 39 ASP C C 39 177.550 177.550 176.181 1.369 18692 1476 1 4 . 1 1 39 39 ASP CA C 39 54.420 54.420 54.229 0.191 18692 1477 1 4 . 1 1 39 39 ASP CB C 39 37.150 37.150 39.300 -2.150 18692 1478 1 4 . 1 1 39 39 ASP H H 39 8.330 8.330 7.761 0.569 18692 1479 1 4 . 1 1 40 40 PHE N N 40 123.361 123.361 121.282 2.079 18692 1480 1 4 . 1 1 40 40 PHE HA H 40 4.620 4.620 4.346 0.274 18692 1481 1 4 . 1 1 40 40 PHE CA C 40 56.250 56.250 58.797 -2.547 18692 1482 1 4 . 1 1 40 40 PHE CB C 40 36.150 36.150 38.731 -2.581 18692 1483 1 4 . 1 1 40 40 PHE H H 40 7.949 7.949 7.667 0.282 18692 1484 1 4 . 1 1 41 41 SER N N 41 121.483 121.483 116.198 5.285 18692 1485 1 4 . 1 1 41 41 SER HA H 41 4.492 4.492 3.914 0.578 18692 1486 1 4 . 1 1 41 41 SER C C 41 174.554 174.554 175.525 -0.971 18692 1487 1 4 . 1 1 41 41 SER CA C 41 59.660 59.660 60.243 -0.583 18692 1488 1 4 . 1 1 41 41 SER CB C 41 63.220 63.220 62.277 0.943 18692 1489 1 4 . 1 1 41 41 SER H H 41 8.519 8.519 7.679 0.840 18692 1490 1 4 . 1 1 42 42 ASN N N 42 118.920 118.920 119.020 -0.100 18692 1491 1 4 . 1 1 42 42 ASN HA H 42 4.910 4.910 4.635 0.275 18692 1492 1 4 . 1 1 42 42 ASN CA C 42 53.490 53.490 54.659 -1.169 18692 1493 1 4 . 1 1 42 42 ASN CB C 42 38.120 38.120 38.519 -0.399 18692 1494 1 4 . 1 1 42 42 ASN H H 42 8.330 8.330 8.142 0.188 18692 1495 1 4 . 1 1 43 43 ILE N N 43 121.540 121.540 121.308 0.232 18692 1496 1 4 . 1 1 43 43 ILE HA H 43 4.180 4.180 3.854 0.326 18692 1497 1 4 . 1 1 43 43 ILE CA C 43 60.110 60.110 66.116 -6.006 18692 1498 1 4 . 1 1 43 43 ILE CB C 43 38.440 38.440 35.006 3.434 18692 1499 1 4 . 1 1 43 43 ILE H H 43 8.293 8.293 7.112 1.181 18692 1500 1 4 . 1 1 44 44 PRO HA H 44 4.461 4.461 4.332 0.129 18692 1501 1 4 . 1 1 44 44 PRO C C 44 176.465 176.465 178.552 -2.087 18692 1502 1 4 . 1 1 44 44 PRO CA C 44 65.358 65.358 65.183 0.175 18692 1503 1 4 . 1 1 44 44 PRO CB C 44 30.441 30.441 31.164 -0.723 18692 1504 1 4 . 1 1 45 45 LYS N N 45 116.236 116.236 118.855 -2.619 18692 1505 1 4 . 1 1 45 45 LYS HA H 45 4.128 4.128 4.100 0.028 18692 1506 1 4 . 1 1 45 45 LYS C C 45 181.467 181.467 178.491 2.976 18692 1507 1 4 . 1 1 45 45 LYS CA C 45 59.712 59.712 59.150 0.562 18692 1508 1 4 . 1 1 45 45 LYS CB C 45 33.281 33.281 32.278 1.003 18692 1509 1 4 . 1 1 45 45 LYS H H 45 7.270 7.270 7.336 -0.066 18692 1510 1 4 . 1 1 46 46 SER N N 46 116.059 116.059 115.797 0.262 18692 1511 1 4 . 1 1 46 46 SER HA H 46 4.080 4.080 4.303 -0.223 18692 1512 1 4 . 1 1 46 46 SER C C 46 177.432 177.432 176.925 0.507 18692 1513 1 4 . 1 1 46 46 SER CA C 46 63.202 63.202 60.843 2.358 18692 1514 1 4 . 1 1 46 46 SER CB C 46 62.118 62.118 62.929 -0.811 18692 1515 1 4 . 1 1 46 46 SER H H 46 8.293 8.293 7.714 0.579 18692 1516 1 4 . 1 1 47 47 ALA N N 47 126.579 126.579 123.775 2.804 18692 1517 1 4 . 1 1 47 47 ALA HA H 47 4.128 4.128 3.957 0.171 18692 1518 1 4 . 1 1 47 47 ALA C C 47 181.528 181.528 178.187 3.341 18692 1519 1 4 . 1 1 47 47 ALA CA C 47 55.704 55.704 54.765 0.939 18692 1520 1 4 . 1 1 47 47 ALA CB C 47 18.326 18.326 18.098 0.229 18692 1521 1 4 . 1 1 47 47 ALA H H 47 6.990 6.990 7.646 -0.656 18692 1522 1 4 . 1 1 48 48 GLU N N 48 117.980 117.980 117.278 0.702 18692 1523 1 4 . 1 1 48 48 GLU HA H 48 4.062 4.062 3.202 0.860 18692 1524 1 4 . 1 1 48 48 GLU C C 48 180.822 180.822 177.425 3.397 18692 1525 1 4 . 1 1 48 48 GLU CA C 48 59.100 59.100 57.693 1.407 18692 1526 1 4 . 1 1 48 48 GLU CB C 48 29.770 29.770 29.436 0.334 18692 1527 1 4 . 1 1 48 48 GLU H H 48 7.863 7.863 7.332 0.531 18692 1528 1 4 . 1 1 49 49 PHE N N 49 122.179 122.179 117.653 4.526 18692 1529 1 4 . 1 1 49 49 PHE HA H 49 4.117 4.117 4.139 -0.022 18692 1530 1 4 . 1 1 49 49 PHE C C 49 179.580 179.580 177.057 2.523 18692 1531 1 4 . 1 1 49 49 PHE CA C 49 57.813 57.813 60.530 -2.717 18692 1532 1 4 . 1 1 49 49 PHE CB C 49 41.695 41.695 39.039 2.656 18692 1533 1 4 . 1 1 49 49 PHE H H 49 8.341 8.341 7.638 0.703 18692 1534 1 4 . 1 1 50 50 ILE N N 50 117.469 117.469 117.219 0.250 18692 1535 1 4 . 1 1 50 50 ILE HA H 50 3.533 3.533 3.924 -0.391 18692 1536 1 4 . 1 1 50 50 ILE C C 50 179.698 179.698 176.430 3.268 18692 1537 1 4 . 1 1 50 50 ILE CA C 50 62.884 62.884 62.860 0.024 18692 1538 1 4 . 1 1 50 50 ILE CB C 50 36.669 36.669 37.791 -1.121 18692 1539 1 4 . 1 1 50 50 ILE H H 50 8.322 8.322 7.240 1.082 18692 1540 1 4 . 1 1 51 51 GLN N N 51 117.190 117.190 117.198 -0.008 18692 1541 1 4 . 1 1 51 51 GLN HA H 51 4.261 4.261 4.481 -0.220 18692 1542 1 4 . 1 1 51 51 GLN C C 51 182.627 182.627 175.674 6.953 18692 1543 1 4 . 1 1 51 51 GLN CA C 51 58.862 58.862 55.194 3.668 18692 1544 1 4 . 1 1 51 51 GLN CB C 51 28.451 28.451 31.942 -3.491 18692 1545 1 4 . 1 1 51 51 GLN H H 51 7.887 7.887 7.762 0.125 18692 1546 1 4 . 1 1 52 52 SER N N 52 117.670 117.670 119.198 -1.528 18692 1547 1 4 . 1 1 52 52 SER HA H 52 4.137 4.137 4.228 -0.091 18692 1548 1 4 . 1 1 52 52 SER CA C 52 61.401 61.401 60.849 0.552 18692 1549 1 4 . 1 1 52 52 SER CB C 52 62.615 62.615 63.494 -0.879 18692 1550 1 4 . 1 1 52 52 SER H H 52 8.556 8.556 8.785 -0.229 18692 1551 1 4 . 1 1 53 53 LYS N N 53 119.008 119.008 119.800 -0.792 18692 1552 1 4 . 1 1 53 53 LYS HA H 53 4.170 4.170 4.457 -0.287 18692 1553 1 4 . 1 1 53 53 LYS C C 53 177.911 177.911 175.295 2.616 18692 1554 1 4 . 1 1 53 53 LYS CA C 53 54.662 54.662 55.978 -1.316 18692 1555 1 4 . 1 1 53 53 LYS CB C 53 32.652 32.652 33.088 -0.436 18692 1556 1 4 . 1 1 53 53 LYS H H 53 7.064 7.064 7.844 -0.780 18692 1557 1 4 . 1 1 54 54 GLY N N 54 105.188 105.188 110.923 -5.735 18692 1558 1 4 . 1 1 54 54 GLY C C 54 175.528 175.528 173.588 1.940 18692 1559 1 4 . 1 1 54 54 GLY CA C 54 45.118 45.118 45.582 -0.464 18692 1560 1 4 . 1 1 54 54 GLY H H 54 7.548 7.548 8.555 -1.007 18692 1561 1 4 . 1 1 55 55 HIS N N 55 118.294 118.294 122.044 -3.750 18692 1562 1 4 . 1 1 55 55 HIS HA H 55 4.947 4.947 4.673 0.274 18692 1563 1 4 . 1 1 55 55 HIS C C 55 175.240 175.240 174.243 0.997 18692 1564 1 4 . 1 1 55 55 HIS CA C 55 54.847 54.847 55.454 -0.607 18692 1565 1 4 . 1 1 55 55 HIS CB C 55 31.315 31.315 29.202 2.113 18692 1566 1 4 . 1 1 55 55 HIS H H 55 6.998 6.998 8.105 -1.107 18692 1567 1 4 . 1 1 56 56 GLU N N 56 118.205 118.205 125.898 -7.693 18692 1568 1 4 . 1 1 56 56 GLU HA H 56 4.666 4.666 4.454 0.212 18692 1569 1 4 . 1 1 56 56 GLU C C 56 176.766 176.766 174.975 1.791 18692 1570 1 4 . 1 1 56 56 GLU CA C 56 55.162 55.162 54.870 0.292 18692 1571 1 4 . 1 1 56 56 GLU CB C 56 33.110 33.110 32.288 0.822 18692 1572 1 4 . 1 1 56 56 GLU H H 56 8.509 8.509 8.047 0.462 18692 1573 1 4 . 1 1 57 57 LEU N N 57 127.769 127.769 127.266 0.503 18692 1574 1 4 . 1 1 57 57 LEU HA H 57 4.786 4.786 4.693 0.093 18692 1575 1 4 . 1 1 57 57 LEU C C 57 177.854 177.854 177.611 0.243 18692 1576 1 4 . 1 1 57 57 LEU CA C 57 53.780 53.780 53.953 -0.173 18692 1577 1 4 . 1 1 57 57 LEU CB C 57 42.676 42.676 40.228 2.448 18692 1578 1 4 . 1 1 57 57 LEU H H 57 8.978 8.978 8.848 0.130 18692 1579 1 4 . 1 1 58 58 LEU N N 58 128.364 128.364 125.326 3.038 18692 1580 1 4 . 1 1 58 58 LEU HA H 58 4.402 4.402 4.033 0.369 18692 1581 1 4 . 1 1 58 58 LEU C C 58 179.469 179.469 177.406 2.063 18692 1582 1 4 . 1 1 58 58 LEU CA C 58 56.534 56.534 57.843 -1.309 18692 1583 1 4 . 1 1 58 58 LEU CB C 58 42.371 42.371 42.529 -0.158 18692 1584 1 4 . 1 1 58 58 LEU H H 58 9.128 9.128 8.108 1.020 18692 1585 1 4 . 1 1 59 59 ASN N N 59 113.622 113.622 115.965 -2.343 18692 1586 1 4 . 1 1 59 59 ASN HA H 59 4.918 4.918 4.849 0.069 18692 1587 1 4 . 1 1 59 59 ASN C C 59 175.560 175.560 174.416 1.144 18692 1588 1 4 . 1 1 59 59 ASN CA C 59 52.389 52.389 52.363 0.026 18692 1589 1 4 . 1 1 59 59 ASN CB C 59 41.887 41.887 39.640 2.247 18692 1590 1 4 . 1 1 59 59 ASN H H 59 7.574 7.574 7.836 -0.262 18692 1591 1 4 . 1 1 60 60 SER N N 60 118.134 118.134 120.604 -2.470 18692 1592 1 4 . 1 1 60 60 SER HA H 60 4.045 4.045 4.293 -0.248 18692 1593 1 4 . 1 1 60 60 SER CA C 60 56.925 56.925 58.697 -1.772 18692 1594 1 4 . 1 1 60 60 SER CB C 60 63.649 63.649 63.994 -0.345 18692 1595 1 4 . 1 1 60 60 SER H H 60 8.436 8.436 8.576 -0.140 18692 1596 1 4 . 1 1 61 61 LEU N N 61 128.266 128.266 121.666 6.600 18692 1597 1 4 . 1 1 61 61 LEU HA H 61 4.219 4.219 4.542 -0.323 18692 1598 1 4 . 1 1 61 61 LEU CA C 61 55.106 55.106 55.805 -0.699 18692 1599 1 4 . 1 1 61 61 LEU CB C 61 44.577 44.577 42.350 2.227 18692 1600 1 4 . 1 1 61 61 LEU H H 61 8.725 8.725 8.198 0.527 18692 1601 1 4 . 1 1 62 62 ARG N N 62 122.383 122.383 124.828 -2.445 18692 1602 1 4 . 1 1 62 62 ARG HA H 62 4.312 4.312 4.380 -0.068 18692 1603 1 4 . 1 1 62 62 ARG C C 62 176.560 176.560 174.870 1.690 18692 1604 1 4 . 1 1 62 62 ARG CA C 62 57.290 57.290 54.474 2.816 18692 1605 1 4 . 1 1 62 62 ARG CB C 62 30.828 30.828 29.083 1.745 18692 1606 1 4 . 1 1 62 62 ARG H H 62 7.303 7.303 9.091 -1.788 18692 1607 1 4 . 1 1 63 63 PHE N N 63 120.560 120.560 121.822 -1.262 18692 1608 1 4 . 1 1 63 63 PHE HA H 63 4.613 4.613 4.652 -0.039 18692 1609 1 4 . 1 1 63 63 PHE CA C 63 61.377 61.377 58.153 3.224 18692 1610 1 4 . 1 1 63 63 PHE CB C 63 39.908 39.908 39.049 0.859 18692 1611 1 4 . 1 1 63 63 PHE H H 63 8.321 8.321 7.936 0.385 18692 1612 1 4 . 1 1 64 64 ASN N N 64 117.616 117.616 121.838 -4.222 18692 1613 1 4 . 1 1 64 64 ASN HA H 64 4.377 4.377 4.412 -0.035 18692 1614 1 4 . 1 1 64 64 ASN C C 64 176.642 176.642 174.464 2.178 18692 1615 1 4 . 1 1 64 64 ASN CA C 64 53.465 53.465 53.023 0.442 18692 1616 1 4 . 1 1 64 64 ASN CB C 64 37.450 37.450 38.899 -1.449 18692 1617 1 4 . 1 1 64 64 ASN H H 64 8.101 8.101 8.698 -0.597 18692 1618 1 4 . 1 1 65 65 GLN N N 65 115.548 115.548 119.857 -4.309 18692 1619 1 4 . 1 1 65 65 GLN HA H 65 4.275 4.275 4.602 -0.327 18692 1620 1 4 . 1 1 65 65 GLN C C 65 178.411 178.411 175.039 3.372 18692 1621 1 4 . 1 1 65 65 GLN CA C 65 59.127 59.127 54.661 4.466 18692 1622 1 4 . 1 1 65 65 GLN CB C 65 28.650 28.650 30.375 -1.725 18692 1623 1 4 . 1 1 65 65 GLN H H 65 8.330 8.330 7.874 0.456 18692 1624 1 4 . 1 1 66 66 ALA N N 66 120.802 120.802 122.895 -2.093 18692 1625 1 4 . 1 1 66 66 ALA HA H 66 4.652 4.652 4.194 0.458 18692 1626 1 4 . 1 1 66 66 ALA C C 66 178.893 178.893 177.124 1.769 18692 1627 1 4 . 1 1 66 66 ALA CA C 66 52.751 52.751 52.721 0.030 18692 1628 1 4 . 1 1 66 66 ALA CB C 66 21.705 21.705 19.327 2.378 18692 1629 1 4 . 1 1 66 66 ALA H H 66 8.346 8.346 8.251 0.095 18692 1630 1 4 . 1 1 67 67 ASP N N 67 118.909 118.909 118.121 0.788 18692 1631 1 4 . 1 1 67 67 ASP HA H 67 4.612 4.612 4.333 0.279 18692 1632 1 4 . 1 1 67 67 ASP C C 67 175.639 175.639 175.449 0.190 18692 1633 1 4 . 1 1 67 67 ASP CA C 67 54.726 54.726 54.985 -0.259 18692 1634 1 4 . 1 1 67 67 ASP CB C 67 45.152 45.152 40.880 4.272 18692 1635 1 4 . 1 1 67 67 ASP H H 67 8.117 8.117 8.217 -0.100 18692 1636 1 4 . 1 1 68 68 TRP HA H 68 4.477 4.477 4.860 -0.383 18692 1637 1 4 . 1 1 68 68 TRP CA C 68 56.253 56.253 55.315 0.938 18692 1638 1 4 . 1 1 68 68 TRP CB C 68 33.719 33.719 33.578 0.141 18692 1639 1 4 . 1 1 68 68 TRP H H 68 8.310 8.310 7.629 0.681 18692 1640 1 4 . 1 1 69 69 THR N N 69 114.495 114.495 110.850 3.645 18692 1641 1 4 . 1 1 69 69 THR HA H 69 5.605 5.605 4.960 0.645 18692 1642 1 4 . 1 1 69 69 THR C C 69 176.005 176.005 173.128 2.877 18692 1643 1 4 . 1 1 69 69 THR CA C 69 58.855 58.855 60.959 -2.104 18692 1644 1 4 . 1 1 69 69 THR CB C 69 72.755 72.755 71.175 1.580 18692 1645 1 4 . 1 1 69 69 THR H H 69 7.985 7.985 8.175 -0.190 18692 1646 1 4 . 1 1 70 70 ILE N N 70 114.448 114.448 125.543 -11.095 18692 1647 1 4 . 1 1 70 70 ILE HA H 70 5.384 5.384 4.643 0.741 18692 1648 1 4 . 1 1 70 70 ILE C C 70 175.751 175.751 173.712 2.039 18692 1649 1 4 . 1 1 70 70 ILE CA C 70 59.637 59.637 58.959 0.678 18692 1650 1 4 . 1 1 70 70 ILE CB C 70 41.689 41.689 41.571 0.118 18692 1651 1 4 . 1 1 70 70 ILE H H 70 8.807 8.807 8.419 0.388 18692 1652 1 4 . 1 1 71 71 VAL N N 71 124.084 124.084 129.900 -5.816 18692 1653 1 4 . 1 1 71 71 VAL HA H 71 5.012 5.012 4.323 0.689 18692 1654 1 4 . 1 1 71 71 VAL C C 71 177.625 177.625 174.798 2.827 18692 1655 1 4 . 1 1 71 71 VAL CA C 71 61.647 61.647 61.176 0.471 18692 1656 1 4 . 1 1 71 71 VAL CB C 71 32.482 32.482 31.605 0.877 18692 1657 1 4 . 1 1 71 71 VAL H H 71 8.500 8.500 8.708 -0.208 18692 1658 1 4 . 1 1 72 72 VAL N N 72 127.753 127.753 125.898 1.855 18692 1659 1 4 . 1 1 72 72 VAL HA H 72 5.147 5.147 4.383 0.764 18692 1660 1 4 . 1 1 72 72 VAL C C 72 175.444 175.444 174.795 0.649 18692 1661 1 4 . 1 1 72 72 VAL CA C 72 60.252 60.252 60.587 -0.334 18692 1662 1 4 . 1 1 72 72 VAL CB C 72 37.425 37.425 33.705 3.720 18692 1663 1 4 . 1 1 72 72 VAL H H 72 9.280 9.280 8.326 0.954 18692 1664 1 4 . 1 1 73 73 ARG N N 73 125.839 125.839 126.593 -0.754 18692 1665 1 4 . 1 1 73 73 ARG HA H 73 5.458 5.458 5.273 0.185 18692 1666 1 4 . 1 1 73 73 ARG C C 73 177.981 177.981 176.456 1.525 18692 1667 1 4 . 1 1 73 73 ARG CA C 73 53.788 53.788 53.967 -0.179 18692 1668 1 4 . 1 1 73 73 ARG CB C 73 33.855 33.855 31.221 2.634 18692 1669 1 4 . 1 1 73 73 ARG H H 73 9.194 9.194 8.370 0.824 18692 1670 1 4 . 1 1 74 74 LYS N N 74 129.522 129.522 125.369 4.153 18692 1671 1 4 . 1 1 74 74 LYS HA H 74 4.323 4.323 4.184 0.139 18692 1672 1 4 . 1 1 74 74 LYS C C 74 178.340 178.340 176.199 2.141 18692 1673 1 4 . 1 1 74 74 LYS CA C 74 55.983 55.983 57.668 -1.685 18692 1674 1 4 . 1 1 74 74 LYS CB C 74 33.103 33.103 33.395 -0.292 18692 1675 1 4 . 1 1 74 74 LYS H H 74 10.930 10.930 8.487 2.443 18692 1676 1 4 . 1 1 75 75 LYS N N 75 131.817 131.817 118.287 13.530 18692 1677 1 4 . 1 1 75 75 LYS HA H 75 4.489 4.489 4.552 -0.063 18692 1678 1 4 . 1 1 75 75 LYS CA C 75 55.927 55.927 55.673 0.254 18692 1679 1 4 . 1 1 75 75 LYS CB C 75 29.730 29.730 35.816 -6.086 18692 1680 1 4 . 1 1 75 75 LYS H H 75 10.873 10.873 8.310 2.563 18692 1681 1 5 . 1 1 2 2 LYS N N 2 127.399 127.399 119.857 7.542 18692 1682 1 5 . 1 1 2 2 LYS HA H 2 3.954 3.954 4.659 -0.705 18692 1683 1 5 . 1 1 2 2 LYS C C 2 175.826 175.826 174.427 1.399 18692 1684 1 5 . 1 1 2 2 LYS CA C 2 57.475 57.475 56.018 1.457 18692 1685 1 5 . 1 1 2 2 LYS CB C 2 34.009 34.009 33.526 0.482 18692 1686 1 5 . 1 1 2 2 LYS H H 2 9.167 9.167 8.372 0.795 18692 1687 1 5 . 1 1 3 3 ARG N N 3 121.207 121.207 118.543 2.664 18692 1688 1 5 . 1 1 3 3 ARG HA H 3 4.797 4.797 4.854 -0.057 18692 1689 1 5 . 1 1 3 3 ARG C C 3 176.719 176.719 174.147 2.572 18692 1690 1 5 . 1 1 3 3 ARG CA C 3 54.082 54.082 55.294 -1.212 18692 1691 1 5 . 1 1 3 3 ARG CB C 3 32.816 32.816 32.749 0.067 18692 1692 1 5 . 1 1 3 3 ARG H H 3 7.705 7.705 7.765 -0.060 18692 1693 1 5 . 1 1 4 4 PHE N N 4 124.380 124.380 121.126 3.254 18692 1694 1 5 . 1 1 4 4 PHE HA H 4 4.729 4.729 4.863 -0.134 18692 1695 1 5 . 1 1 4 4 PHE C C 4 176.180 176.180 173.926 2.254 18692 1696 1 5 . 1 1 4 4 PHE CA C 4 56.584 56.584 57.296 -0.712 18692 1697 1 5 . 1 1 4 4 PHE CB C 4 41.758 41.758 42.997 -1.239 18692 1698 1 5 . 1 1 4 4 PHE H H 4 8.913 8.913 9.499 -0.586 18692 1699 1 5 . 1 1 5 5 ASP N N 5 123.331 123.331 127.751 -4.420 18692 1700 1 5 . 1 1 5 5 ASP HA H 5 4.390 4.390 4.844 -0.454 18692 1701 1 5 . 1 1 5 5 ASP C C 5 177.524 177.524 175.609 1.915 18692 1702 1 5 . 1 1 5 5 ASP CA C 5 53.344 53.344 54.587 -1.243 18692 1703 1 5 . 1 1 5 5 ASP CB C 5 41.043 41.043 41.212 -0.170 18692 1704 1 5 . 1 1 5 5 ASP H H 5 9.113 9.113 8.583 0.530 18692 1705 1 5 . 1 1 6 6 LEU N N 6 122.540 122.540 124.453 -1.913 18692 1706 1 5 . 1 1 6 6 LEU HA H 6 4.304 4.304 4.464 -0.160 18692 1707 1 5 . 1 1 6 6 LEU CA C 6 55.260 55.260 54.288 0.972 18692 1708 1 5 . 1 1 6 6 LEU CB C 6 42.680 42.680 42.064 0.616 18692 1709 1 5 . 1 1 6 6 LEU H H 6 8.305 8.305 8.122 0.183 18692 1710 1 5 . 1 1 7 7 ARG N N 7 121.715 121.715 121.941 -0.226 18692 1711 1 5 . 1 1 7 7 ARG HA H 7 4.156 4.156 4.087 0.069 18692 1712 1 5 . 1 1 7 7 ARG C C 7 177.664 177.664 175.418 2.246 18692 1713 1 5 . 1 1 7 7 ARG CA C 7 56.463 56.463 60.439 -3.976 18692 1714 1 5 . 1 1 7 7 ARG CB C 7 29.315 29.315 28.444 0.871 18692 1715 1 5 . 1 1 7 7 ARG H H 7 8.293 8.293 8.354 -0.061 18692 1716 1 5 . 1 1 8 8 PRO HA H 8 4.365 4.365 4.329 0.036 18692 1717 1 5 . 1 1 8 8 PRO C C 8 178.886 178.886 176.619 2.267 18692 1718 1 5 . 1 1 8 8 PRO CA C 8 65.193 65.193 63.261 1.932 18692 1719 1 5 . 1 1 8 8 PRO CB C 8 31.566 31.566 31.687 -0.121 18692 1720 1 5 . 1 1 9 9 LEU N N 9 114.107 114.107 121.773 -7.666 18692 1721 1 5 . 1 1 9 9 LEU HA H 9 4.175 4.175 4.345 -0.170 18692 1722 1 5 . 1 1 9 9 LEU C C 9 178.897 178.897 176.123 2.774 18692 1723 1 5 . 1 1 9 9 LEU CA C 9 54.878 54.878 54.733 0.145 18692 1724 1 5 . 1 1 9 9 LEU CB C 9 41.222 41.222 43.739 -2.517 18692 1725 1 5 . 1 1 9 9 LEU H H 9 7.310 7.310 7.374 -0.064 18692 1726 1 5 . 1 1 10 10 LYS N N 10 116.563 116.563 123.467 -6.904 18692 1727 1 5 . 1 1 10 10 LYS HA H 10 3.823 3.823 4.295 -0.472 18692 1728 1 5 . 1 1 10 10 LYS C C 10 178.805 178.805 175.885 2.920 18692 1729 1 5 . 1 1 10 10 LYS CA C 10 57.693 57.693 55.530 2.163 18692 1730 1 5 . 1 1 10 10 LYS CB C 10 34.124 34.124 33.359 0.764 18692 1731 1 5 . 1 1 10 10 LYS H H 10 8.132 8.132 8.162 -0.030 18692 1732 1 5 . 1 1 11 11 ALA N N 11 124.134 124.134 123.475 0.659 18692 1733 1 5 . 1 1 11 11 ALA HA H 11 4.399 4.399 3.819 0.580 18692 1734 1 5 . 1 1 11 11 ALA C C 11 178.877 178.877 178.099 0.778 18692 1735 1 5 . 1 1 11 11 ALA CA C 11 53.292 53.292 52.822 0.470 18692 1736 1 5 . 1 1 11 11 ALA CB C 11 19.310 19.310 18.576 0.734 18692 1737 1 5 . 1 1 11 11 ALA H H 11 8.239 8.239 8.344 -0.105 18692 1738 1 5 . 1 1 12 12 GLY N N 12 108.661 108.661 111.748 -3.087 18692 1739 1 5 . 1 1 12 12 GLY C C 12 178.614 178.614 175.251 3.363 18692 1740 1 5 . 1 1 12 12 GLY CA C 12 47.640 47.640 45.627 2.014 18692 1741 1 5 . 1 1 12 12 GLY H H 12 8.186 8.186 8.916 -0.730 18692 1742 1 5 . 1 1 13 13 ILE N N 13 123.465 123.465 124.062 -0.597 18692 1743 1 5 . 1 1 13 13 ILE HA H 13 4.150 4.150 4.249 -0.099 18692 1744 1 5 . 1 1 13 13 ILE C C 13 177.234 177.234 176.668 0.566 18692 1745 1 5 . 1 1 13 13 ILE CA C 13 60.500 60.500 62.703 -2.203 18692 1746 1 5 . 1 1 13 13 ILE CB C 13 36.970 36.970 38.559 -1.589 18692 1747 1 5 . 1 1 13 13 ILE H H 13 8.309 8.309 7.372 0.937 18692 1748 1 5 . 1 1 14 14 PHE N N 14 119.560 119.560 120.159 -0.599 18692 1749 1 5 . 1 1 14 14 PHE HA H 14 3.354 3.354 4.154 -0.800 18692 1750 1 5 . 1 1 14 14 PHE C C 14 179.301 179.301 176.737 2.564 18692 1751 1 5 . 1 1 14 14 PHE CA C 14 63.883 63.883 61.138 2.745 18692 1752 1 5 . 1 1 14 14 PHE CB C 14 37.608 37.608 37.858 -0.250 18692 1753 1 5 . 1 1 14 14 PHE H H 14 7.801 7.801 8.018 -0.217 18692 1754 1 5 . 1 1 15 15 GLU N N 15 121.567 121.567 119.414 2.153 18692 1755 1 5 . 1 1 15 15 GLU HA H 15 4.260 4.260 3.436 0.824 18692 1756 1 5 . 1 1 15 15 GLU C C 15 181.428 181.428 177.402 4.026 18692 1757 1 5 . 1 1 15 15 GLU CA C 15 60.579 60.579 57.844 2.735 18692 1758 1 5 . 1 1 15 15 GLU CB C 15 28.158 28.158 28.848 -0.690 18692 1759 1 5 . 1 1 15 15 GLU H H 15 8.331 8.331 8.248 0.083 18692 1760 1 5 . 1 1 16 16 ARG N N 16 121.602 121.602 119.462 2.140 18692 1761 1 5 . 1 1 16 16 ARG HA H 16 4.104 4.104 3.777 0.327 18692 1762 1 5 . 1 1 16 16 ARG C C 16 179.418 179.418 178.880 0.538 18692 1763 1 5 . 1 1 16 16 ARG CA C 16 56.877 56.877 58.430 -1.553 18692 1764 1 5 . 1 1 16 16 ARG CB C 16 29.397 29.397 30.149 -0.752 18692 1765 1 5 . 1 1 16 16 ARG H H 16 8.240 8.240 7.438 0.802 18692 1766 1 5 . 1 1 17 17 LEU N N 17 119.769 119.769 119.520 0.249 18692 1767 1 5 . 1 1 17 17 LEU HA H 17 3.619 3.619 4.115 -0.496 18692 1768 1 5 . 1 1 17 17 LEU C C 17 179.136 179.136 177.937 1.199 18692 1769 1 5 . 1 1 17 17 LEU CA C 17 59.104 59.104 56.327 2.777 18692 1770 1 5 . 1 1 17 17 LEU CB C 17 42.770 42.770 41.443 1.327 18692 1771 1 5 . 1 1 17 17 LEU H H 17 8.134 8.134 8.338 -0.204 18692 1772 1 5 . 1 1 18 18 GLU N N 18 115.547 115.547 118.346 -2.799 18692 1773 1 5 . 1 1 18 18 GLU HA H 18 3.889 3.889 3.341 0.548 18692 1774 1 5 . 1 1 18 18 GLU C C 18 179.643 179.643 178.153 1.490 18692 1775 1 5 . 1 1 18 18 GLU CA C 18 59.929 59.929 59.526 0.403 18692 1776 1 5 . 1 1 18 18 GLU CB C 18 29.170 29.170 28.879 0.291 18692 1777 1 5 . 1 1 18 18 GLU H H 18 7.674 7.674 7.614 0.060 18692 1778 1 5 . 1 1 19 19 GLU N N 19 119.211 119.211 118.988 0.223 18692 1779 1 5 . 1 1 19 19 GLU HA H 19 4.047 4.047 4.004 0.043 18692 1780 1 5 . 1 1 19 19 GLU C C 19 180.374 180.374 178.168 2.206 18692 1781 1 5 . 1 1 19 19 GLU CA C 19 59.441 59.441 58.706 0.735 18692 1782 1 5 . 1 1 19 19 GLU CB C 19 30.269 30.269 29.384 0.885 18692 1783 1 5 . 1 1 19 19 GLU H H 19 7.782 7.782 7.386 0.396 18692 1784 1 5 . 1 1 20 20 LEU N N 20 119.264 119.264 119.788 -0.524 18692 1785 1 5 . 1 1 20 20 LEU HA H 20 3.761 3.761 3.942 -0.181 18692 1786 1 5 . 1 1 20 20 LEU C C 20 181.666 181.666 178.762 2.904 18692 1787 1 5 . 1 1 20 20 LEU CA C 20 57.862 57.862 57.800 0.062 18692 1788 1 5 . 1 1 20 20 LEU CB C 20 42.111 42.111 41.918 0.193 18692 1789 1 5 . 1 1 20 20 LEU H H 20 8.507 8.507 7.125 1.382 18692 1790 1 5 . 1 1 21 21 ILE N N 21 117.879 117.879 117.386 0.493 18692 1791 1 5 . 1 1 21 21 ILE HA H 21 3.697 3.697 3.859 -0.162 18692 1792 1 5 . 1 1 21 21 ILE C C 21 181.696 181.696 176.868 4.828 18692 1793 1 5 . 1 1 21 21 ILE CA C 21 65.174 65.174 61.755 3.419 18692 1794 1 5 . 1 1 21 21 ILE CB C 21 38.420 38.420 38.048 0.372 18692 1795 1 5 . 1 1 21 21 ILE H H 21 7.750 7.750 7.042 0.708 18692 1796 1 5 . 1 1 22 22 GLU N N 22 116.656 116.656 120.341 -3.685 18692 1797 1 5 . 1 1 22 22 GLU HA H 22 3.891 3.891 3.923 -0.032 18692 1798 1 5 . 1 1 22 22 GLU C C 22 180.424 180.424 177.688 2.736 18692 1799 1 5 . 1 1 22 22 GLU CA C 22 59.864 59.864 59.188 0.676 18692 1800 1 5 . 1 1 22 22 GLU CB C 22 30.047 30.047 29.470 0.577 18692 1801 1 5 . 1 1 22 22 GLU H H 22 8.203 8.203 7.527 0.676 18692 1802 1 5 . 1 1 23 23 LYS N N 23 113.426 113.426 116.865 -3.439 18692 1803 1 5 . 1 1 23 23 LYS HA H 23 4.392 4.392 4.108 0.284 18692 1804 1 5 . 1 1 23 23 LYS C C 23 180.639 180.639 178.279 2.360 18692 1805 1 5 . 1 1 23 23 LYS CA C 23 57.952 57.952 58.444 -0.492 18692 1806 1 5 . 1 1 23 23 LYS CB C 23 34.655 34.655 32.318 2.337 18692 1807 1 5 . 1 1 23 23 LYS H H 23 8.713 8.713 7.444 1.268 18692 1808 1 5 . 1 1 24 24 GLU N N 24 115.943 115.943 117.431 -1.488 18692 1809 1 5 . 1 1 24 24 GLU HA H 24 4.730 4.730 4.172 0.558 18692 1810 1 5 . 1 1 24 24 GLU C C 24 177.407 177.407 177.017 0.390 18692 1811 1 5 . 1 1 24 24 GLU CA C 24 56.241 56.241 57.074 -0.833 18692 1812 1 5 . 1 1 24 24 GLU CB C 24 30.664 30.664 30.227 0.437 18692 1813 1 5 . 1 1 24 24 GLU H H 24 8.225 8.225 7.686 0.539 18692 1814 1 5 . 1 1 25 25 MET N N 25 115.075 115.075 117.983 -2.908 18692 1815 1 5 . 1 1 25 25 MET HA H 25 4.832 4.832 4.307 0.525 18692 1816 1 5 . 1 1 25 25 MET C C 25 177.286 177.286 176.506 0.780 18692 1817 1 5 . 1 1 25 25 MET CA C 25 55.022 55.022 54.627 0.395 18692 1818 1 5 . 1 1 25 25 MET CB C 25 37.416 37.416 32.044 5.372 18692 1819 1 5 . 1 1 25 25 MET H H 25 6.860 6.860 7.306 -0.446 18692 1820 1 5 . 1 1 26 26 GLN N N 26 122.801 122.801 122.122 0.679 18692 1821 1 5 . 1 1 26 26 GLN HA H 26 4.345 4.345 4.321 0.024 18692 1822 1 5 . 1 1 26 26 GLN C C 26 175.718 175.718 176.046 -0.328 18692 1823 1 5 . 1 1 26 26 GLN CA C 26 52.909 52.909 56.541 -3.632 18692 1824 1 5 . 1 1 26 26 GLN CB C 26 28.417 28.417 28.320 0.097 18692 1825 1 5 . 1 1 26 26 GLN H H 26 9.264 9.264 8.241 1.023 18692 1826 1 5 . 1 1 27 27 PRO HA H 27 3.915 3.915 4.340 -0.425 18692 1827 1 5 . 1 1 27 27 PRO C C 27 177.450 177.450 176.020 1.430 18692 1828 1 5 . 1 1 27 27 PRO CA C 27 64.908 64.908 64.760 0.148 18692 1829 1 5 . 1 1 27 27 PRO CB C 27 31.265 31.265 32.246 -0.981 18692 1830 1 5 . 1 1 28 28 ASN N N 28 118.995 118.995 113.842 5.153 18692 1831 1 5 . 1 1 28 28 ASN HA H 28 4.475 4.475 5.215 -0.740 18692 1832 1 5 . 1 1 28 28 ASN C C 28 179.421 179.421 174.049 5.372 18692 1833 1 5 . 1 1 28 28 ASN CA C 28 55.368 55.368 52.271 3.097 18692 1834 1 5 . 1 1 28 28 ASN CB C 28 38.967 38.967 39.658 -0.691 18692 1835 1 5 . 1 1 28 28 ASN H H 28 8.458 8.458 8.232 0.226 18692 1836 1 5 . 1 1 29 29 GLU N N 29 123.128 123.128 119.303 3.825 18692 1837 1 5 . 1 1 29 29 GLU HA H 29 4.291 4.291 4.530 -0.239 18692 1838 1 5 . 1 1 29 29 GLU C C 29 175.883 175.883 174.291 1.592 18692 1839 1 5 . 1 1 29 29 GLU CA C 29 56.876 56.876 54.898 1.978 18692 1840 1 5 . 1 1 29 29 GLU CB C 29 31.863 31.863 33.493 -1.630 18692 1841 1 5 . 1 1 29 29 GLU H H 29 8.294 8.294 7.653 0.641 18692 1842 1 5 . 1 1 30 30 VAL N N 30 123.635 123.635 120.364 3.271 18692 1843 1 5 . 1 1 30 30 VAL HA H 30 5.293 5.293 4.678 0.615 18692 1844 1 5 . 1 1 30 30 VAL C C 30 177.201 177.201 174.770 2.431 18692 1845 1 5 . 1 1 30 30 VAL CA C 30 60.562 60.562 60.434 0.128 18692 1846 1 5 . 1 1 30 30 VAL CB C 30 33.419 33.419 34.168 -0.749 18692 1847 1 5 . 1 1 30 30 VAL H H 30 8.067 8.067 8.451 -0.384 18692 1848 1 5 . 1 1 31 31 ALA N N 31 127.391 127.391 130.240 -2.849 18692 1849 1 5 . 1 1 31 31 ALA HA H 31 4.919 4.919 4.929 -0.010 18692 1850 1 5 . 1 1 31 31 ALA C C 31 176.179 176.179 176.050 0.129 18692 1851 1 5 . 1 1 31 31 ALA CA C 31 51.470 51.470 50.063 1.407 18692 1852 1 5 . 1 1 31 31 ALA CB C 31 24.772 24.772 21.309 3.463 18692 1853 1 5 . 1 1 31 31 ALA H H 31 9.086 9.086 8.158 0.928 18692 1854 1 5 . 1 1 32 32 ILE N N 32 118.468 118.468 126.046 -7.578 18692 1855 1 5 . 1 1 32 32 ILE HA H 32 5.102 5.102 4.459 0.643 18692 1856 1 5 . 1 1 32 32 ILE C C 32 176.300 176.300 174.735 1.565 18692 1857 1 5 . 1 1 32 32 ILE CA C 32 59.604 59.604 60.744 -1.140 18692 1858 1 5 . 1 1 32 32 ILE CB C 32 41.416 41.416 38.421 2.995 18692 1859 1 5 . 1 1 32 32 ILE H H 32 8.175 8.175 8.067 0.108 18692 1860 1 5 . 1 1 33 33 PHE N N 33 123.926 123.926 127.670 -3.744 18692 1861 1 5 . 1 1 33 33 PHE HA H 33 5.407 5.407 5.495 -0.088 18692 1862 1 5 . 1 1 33 33 PHE C C 33 176.695 176.695 175.936 0.759 18692 1863 1 5 . 1 1 33 33 PHE CA C 33 56.627 56.627 55.210 1.417 18692 1864 1 5 . 1 1 33 33 PHE CB C 33 41.583 41.583 39.482 2.101 18692 1865 1 5 . 1 1 33 33 PHE H H 33 9.277 9.277 8.842 0.435 18692 1866 1 5 . 1 1 34 34 MET N N 34 120.519 120.519 125.660 -5.141 18692 1867 1 5 . 1 1 34 34 MET HA H 34 5.517 5.517 5.406 0.111 18692 1868 1 5 . 1 1 34 34 MET C C 34 177.123 177.123 174.962 2.161 18692 1869 1 5 . 1 1 34 34 MET CA C 34 53.515 53.515 55.514 -1.999 18692 1870 1 5 . 1 1 34 34 MET CB C 34 36.447 36.447 34.736 1.712 18692 1871 1 5 . 1 1 34 34 MET H H 34 8.606 8.606 8.768 -0.162 18692 1872 1 5 . 1 1 35 35 PHE N N 35 118.119 118.119 122.152 -4.033 18692 1873 1 5 . 1 1 35 35 PHE HA H 35 4.642 4.642 5.229 -0.587 18692 1874 1 5 . 1 1 35 35 PHE C C 35 175.188 175.188 174.099 1.089 18692 1875 1 5 . 1 1 35 35 PHE CA C 35 56.100 56.100 55.607 0.493 18692 1876 1 5 . 1 1 35 35 PHE CB C 35 41.450 41.450 41.031 0.419 18692 1877 1 5 . 1 1 35 35 PHE H H 35 8.832 8.832 8.714 0.118 18692 1878 1 5 . 1 1 36 36 GLU N N 36 120.598 120.598 123.109 -2.511 18692 1879 1 5 . 1 1 36 36 GLU HA H 36 4.890 4.890 4.277 0.613 18692 1880 1 5 . 1 1 36 36 GLU C C 36 179.258 179.258 175.720 3.538 18692 1881 1 5 . 1 1 36 36 GLU CA C 36 57.184 57.184 56.275 0.909 18692 1882 1 5 . 1 1 36 36 GLU CB C 36 30.844 30.844 29.944 0.900 18692 1883 1 5 . 1 1 36 36 GLU H H 36 9.421 9.421 8.860 0.561 18692 1884 1 5 . 1 1 37 37 VAL N N 37 122.817 122.817 119.803 3.014 18692 1885 1 5 . 1 1 37 37 VAL HA H 37 4.230 4.230 4.186 0.044 18692 1886 1 5 . 1 1 37 37 VAL C C 37 176.550 176.550 177.562 -1.012 18692 1887 1 5 . 1 1 37 37 VAL CA C 37 65.923 65.923 62.440 3.483 18692 1888 1 5 . 1 1 37 37 VAL H H 37 9.005 9.005 7.484 1.521 18692 1889 1 5 . 1 1 38 38 GLY N N 38 109.660 109.660 110.565 -0.905 18692 1890 1 5 . 1 1 38 38 GLY C C 38 173.860 173.860 174.667 -0.807 18692 1891 1 5 . 1 1 38 38 GLY CA C 38 44.560 44.560 45.489 -0.929 18692 1892 1 5 . 1 1 38 38 GLY H H 38 8.440 8.440 8.657 -0.217 18692 1893 1 5 . 1 1 39 39 ASP N N 39 119.440 119.440 123.121 -3.681 18692 1894 1 5 . 1 1 39 39 ASP HA H 39 4.910 4.910 4.595 0.315 18692 1895 1 5 . 1 1 39 39 ASP C C 39 177.550 177.550 176.093 1.457 18692 1896 1 5 . 1 1 39 39 ASP CA C 39 54.420 54.420 54.715 -0.295 18692 1897 1 5 . 1 1 39 39 ASP CB C 39 37.150 37.150 39.568 -2.418 18692 1898 1 5 . 1 1 39 39 ASP H H 39 8.330 8.330 8.414 -0.084 18692 1899 1 5 . 1 1 40 40 PHE N N 40 123.361 123.361 121.388 1.973 18692 1900 1 5 . 1 1 40 40 PHE HA H 40 4.620 4.620 4.362 0.258 18692 1901 1 5 . 1 1 40 40 PHE CA C 40 56.250 56.250 58.349 -2.099 18692 1902 1 5 . 1 1 40 40 PHE CB C 40 36.150 36.150 38.779 -2.629 18692 1903 1 5 . 1 1 40 40 PHE H H 40 7.949 7.949 7.760 0.189 18692 1904 1 5 . 1 1 41 41 SER N N 41 121.483 121.483 114.771 6.712 18692 1905 1 5 . 1 1 41 41 SER HA H 41 4.492 4.492 3.908 0.584 18692 1906 1 5 . 1 1 41 41 SER C C 41 174.554 174.554 175.573 -1.019 18692 1907 1 5 . 1 1 41 41 SER CA C 41 59.660 59.660 59.361 0.299 18692 1908 1 5 . 1 1 41 41 SER CB C 41 63.220 63.220 62.796 0.424 18692 1909 1 5 . 1 1 41 41 SER H H 41 8.519 8.519 7.562 0.957 18692 1910 1 5 . 1 1 42 42 ASN N N 42 118.920 118.920 117.604 1.316 18692 1911 1 5 . 1 1 42 42 ASN HA H 42 4.910 4.910 4.574 0.336 18692 1912 1 5 . 1 1 42 42 ASN CA C 42 53.490 53.490 54.424 -0.934 18692 1913 1 5 . 1 1 42 42 ASN CB C 42 38.120 38.120 38.422 -0.302 18692 1914 1 5 . 1 1 42 42 ASN H H 42 8.330 8.330 8.006 0.324 18692 1915 1 5 . 1 1 43 43 ILE N N 43 121.540 121.540 120.920 0.620 18692 1916 1 5 . 1 1 43 43 ILE HA H 43 4.180 4.180 3.874 0.306 18692 1917 1 5 . 1 1 43 43 ILE CA C 43 60.110 60.110 66.115 -6.005 18692 1918 1 5 . 1 1 43 43 ILE CB C 43 38.440 38.440 35.254 3.186 18692 1919 1 5 . 1 1 43 43 ILE H H 43 8.293 8.293 7.171 1.122 18692 1920 1 5 . 1 1 44 44 PRO HA H 44 4.461 4.461 4.344 0.117 18692 1921 1 5 . 1 1 44 44 PRO C C 44 176.465 176.465 178.549 -2.084 18692 1922 1 5 . 1 1 44 44 PRO CA C 44 65.358 65.358 65.254 0.104 18692 1923 1 5 . 1 1 44 44 PRO CB C 44 30.441 30.441 31.185 -0.744 18692 1924 1 5 . 1 1 45 45 LYS N N 45 116.236 116.236 118.715 -2.479 18692 1925 1 5 . 1 1 45 45 LYS HA H 45 4.128 4.128 4.087 0.041 18692 1926 1 5 . 1 1 45 45 LYS C C 45 181.467 181.467 178.495 2.972 18692 1927 1 5 . 1 1 45 45 LYS CA C 45 59.712 59.712 59.112 0.600 18692 1928 1 5 . 1 1 45 45 LYS CB C 45 33.281 33.281 32.259 1.022 18692 1929 1 5 . 1 1 45 45 LYS H H 45 7.270 7.270 7.351 -0.081 18692 1930 1 5 . 1 1 46 46 SER N N 46 116.059 116.059 115.946 0.113 18692 1931 1 5 . 1 1 46 46 SER HA H 46 4.080 4.080 4.170 -0.090 18692 1932 1 5 . 1 1 46 46 SER C C 46 177.432 177.432 176.910 0.522 18692 1933 1 5 . 1 1 46 46 SER CA C 46 63.202 63.202 61.221 1.981 18692 1934 1 5 . 1 1 46 46 SER CB C 46 62.118 62.118 62.840 -0.722 18692 1935 1 5 . 1 1 46 46 SER H H 46 8.293 8.293 7.734 0.559 18692 1936 1 5 . 1 1 47 47 ALA N N 47 126.579 126.579 123.960 2.619 18692 1937 1 5 . 1 1 47 47 ALA HA H 47 4.128 4.128 4.443 -0.315 18692 1938 1 5 . 1 1 47 47 ALA C C 47 181.528 181.528 178.016 3.512 18692 1939 1 5 . 1 1 47 47 ALA CA C 47 55.704 55.704 54.423 1.281 18692 1940 1 5 . 1 1 47 47 ALA CB C 47 18.326 18.326 18.219 0.107 18692 1941 1 5 . 1 1 47 47 ALA H H 47 6.990 6.990 7.692 -0.702 18692 1942 1 5 . 1 1 48 48 GLU N N 48 117.980 117.980 117.256 0.724 18692 1943 1 5 . 1 1 48 48 GLU HA H 48 4.062 4.062 3.162 0.900 18692 1944 1 5 . 1 1 48 48 GLU C C 48 180.822 180.822 177.331 3.491 18692 1945 1 5 . 1 1 48 48 GLU CA C 48 59.100 59.100 57.413 1.687 18692 1946 1 5 . 1 1 48 48 GLU CB C 48 29.770 29.770 29.408 0.362 18692 1947 1 5 . 1 1 48 48 GLU H H 48 7.863 7.863 7.330 0.533 18692 1948 1 5 . 1 1 49 49 PHE N N 49 122.179 122.179 117.278 4.901 18692 1949 1 5 . 1 1 49 49 PHE HA H 49 4.117 4.117 4.176 -0.059 18692 1950 1 5 . 1 1 49 49 PHE C C 49 179.580 179.580 176.659 2.921 18692 1951 1 5 . 1 1 49 49 PHE CA C 49 57.813 57.813 60.377 -2.564 18692 1952 1 5 . 1 1 49 49 PHE CB C 49 41.695 41.695 39.154 2.541 18692 1953 1 5 . 1 1 49 49 PHE H H 49 8.341 8.341 7.703 0.638 18692 1954 1 5 . 1 1 50 50 ILE N N 50 117.469 117.469 117.605 -0.136 18692 1955 1 5 . 1 1 50 50 ILE HA H 50 3.533 3.533 3.995 -0.462 18692 1956 1 5 . 1 1 50 50 ILE C C 50 179.698 179.698 176.342 3.356 18692 1957 1 5 . 1 1 50 50 ILE CA C 50 62.884 62.884 62.255 0.629 18692 1958 1 5 . 1 1 50 50 ILE CB C 50 36.669 36.669 38.006 -1.337 18692 1959 1 5 . 1 1 50 50 ILE H H 50 8.322 8.322 7.253 1.069 18692 1960 1 5 . 1 1 51 51 GLN N N 51 117.190 117.190 117.562 -0.372 18692 1961 1 5 . 1 1 51 51 GLN HA H 51 4.261 4.261 4.543 -0.282 18692 1962 1 5 . 1 1 51 51 GLN C C 51 182.627 182.627 175.976 6.651 18692 1963 1 5 . 1 1 51 51 GLN CA C 51 58.862 58.862 54.974 3.888 18692 1964 1 5 . 1 1 51 51 GLN CB C 51 28.451 28.451 31.991 -3.540 18692 1965 1 5 . 1 1 51 51 GLN H H 51 7.887 7.887 7.726 0.161 18692 1966 1 5 . 1 1 52 52 SER N N 52 117.670 117.670 120.145 -2.475 18692 1967 1 5 . 1 1 52 52 SER HA H 52 4.137 4.137 4.260 -0.123 18692 1968 1 5 . 1 1 52 52 SER CA C 52 61.401 61.401 60.815 0.586 18692 1969 1 5 . 1 1 52 52 SER CB C 52 62.615 62.615 63.410 -0.795 18692 1970 1 5 . 1 1 52 52 SER H H 52 8.556 8.556 8.751 -0.195 18692 1971 1 5 . 1 1 53 53 LYS N N 53 119.008 119.008 122.121 -3.113 18692 1972 1 5 . 1 1 53 53 LYS HA H 53 4.170 4.170 4.483 -0.313 18692 1973 1 5 . 1 1 53 53 LYS C C 53 177.911 177.911 175.545 2.366 18692 1974 1 5 . 1 1 53 53 LYS CA C 53 54.662 54.662 56.008 -1.346 18692 1975 1 5 . 1 1 53 53 LYS CB C 53 32.652 32.652 33.358 -0.706 18692 1976 1 5 . 1 1 53 53 LYS H H 53 7.064 7.064 7.873 -0.809 18692 1977 1 5 . 1 1 54 54 GLY N N 54 105.188 105.188 111.802 -6.614 18692 1978 1 5 . 1 1 54 54 GLY C C 54 175.528 175.528 173.532 1.996 18692 1979 1 5 . 1 1 54 54 GLY CA C 54 45.118 45.118 45.660 -0.542 18692 1980 1 5 . 1 1 54 54 GLY H H 54 7.548 7.548 8.588 -1.040 18692 1981 1 5 . 1 1 55 55 HIS N N 55 118.294 118.294 121.999 -3.705 18692 1982 1 5 . 1 1 55 55 HIS HA H 55 4.947 4.947 4.628 0.319 18692 1983 1 5 . 1 1 55 55 HIS C C 55 175.240 175.240 174.170 1.070 18692 1984 1 5 . 1 1 55 55 HIS CA C 55 54.847 54.847 55.608 -0.761 18692 1985 1 5 . 1 1 55 55 HIS CB C 55 31.315 31.315 29.115 2.200 18692 1986 1 5 . 1 1 55 55 HIS H H 55 6.998 6.998 8.161 -1.163 18692 1987 1 5 . 1 1 56 56 GLU N N 56 118.205 118.205 125.748 -7.543 18692 1988 1 5 . 1 1 56 56 GLU HA H 56 4.666 4.666 4.450 0.216 18692 1989 1 5 . 1 1 56 56 GLU C C 56 176.766 176.766 175.008 1.758 18692 1990 1 5 . 1 1 56 56 GLU CA C 56 55.162 55.162 55.120 0.042 18692 1991 1 5 . 1 1 56 56 GLU CB C 56 33.110 33.110 32.790 0.320 18692 1992 1 5 . 1 1 56 56 GLU H H 56 8.509 8.509 8.086 0.423 18692 1993 1 5 . 1 1 57 57 LEU N N 57 127.769 127.769 125.927 1.842 18692 1994 1 5 . 1 1 57 57 LEU HA H 57 4.786 4.786 4.606 0.180 18692 1995 1 5 . 1 1 57 57 LEU C C 57 177.854 177.854 178.961 -1.107 18692 1996 1 5 . 1 1 57 57 LEU CA C 57 53.780 53.780 54.501 -0.721 18692 1997 1 5 . 1 1 57 57 LEU CB C 57 42.676 42.676 40.763 1.913 18692 1998 1 5 . 1 1 57 57 LEU H H 57 8.978 8.978 8.901 0.077 18692 1999 1 5 . 1 1 58 58 LEU N N 58 128.364 128.364 130.725 -2.361 18692 2000 1 5 . 1 1 58 58 LEU HA H 58 4.402 4.402 3.993 0.409 18692 2001 1 5 . 1 1 58 58 LEU C C 58 179.469 179.469 177.362 2.107 18692 2002 1 5 . 1 1 58 58 LEU CA C 58 56.534 56.534 58.050 -1.516 18692 2003 1 5 . 1 1 58 58 LEU CB C 58 42.371 42.371 42.554 -0.183 18692 2004 1 5 . 1 1 58 58 LEU H H 58 9.128 9.128 8.854 0.274 18692 2005 1 5 . 1 1 59 59 ASN N N 59 113.622 113.622 115.135 -1.513 18692 2006 1 5 . 1 1 59 59 ASN HA H 59 4.918 4.918 4.846 0.072 18692 2007 1 5 . 1 1 59 59 ASN C C 59 175.560 175.560 174.443 1.117 18692 2008 1 5 . 1 1 59 59 ASN CA C 59 52.389 52.389 52.649 -0.260 18692 2009 1 5 . 1 1 59 59 ASN CB C 59 41.887 41.887 38.288 3.599 18692 2010 1 5 . 1 1 59 59 ASN H H 59 7.574 7.574 8.442 -0.868 18692 2011 1 5 . 1 1 60 60 SER N N 60 118.134 118.134 115.061 3.073 18692 2012 1 5 . 1 1 60 60 SER HA H 60 4.045 4.045 4.175 -0.130 18692 2013 1 5 . 1 1 60 60 SER CA C 60 56.925 56.925 59.922 -2.997 18692 2014 1 5 . 1 1 60 60 SER CB C 60 63.649 63.649 62.891 0.758 18692 2015 1 5 . 1 1 60 60 SER H H 60 8.436 8.436 7.910 0.526 18692 2016 1 5 . 1 1 61 61 LEU N N 61 128.266 128.266 113.382 14.884 18692 2017 1 5 . 1 1 61 61 LEU HA H 61 4.219 4.219 5.123 -0.904 18692 2018 1 5 . 1 1 61 61 LEU CA C 61 55.106 55.106 54.064 1.042 18692 2019 1 5 . 1 1 61 61 LEU CB C 61 44.577 44.577 43.650 0.927 18692 2020 1 5 . 1 1 61 61 LEU H H 61 8.725 8.725 8.253 0.472 18692 2021 1 5 . 1 1 62 62 ARG N N 62 122.383 122.383 123.721 -1.338 18692 2022 1 5 . 1 1 62 62 ARG HA H 62 4.312 4.312 4.312 0.000 18692 2023 1 5 . 1 1 62 62 ARG C C 62 176.560 176.560 175.618 0.942 18692 2024 1 5 . 1 1 62 62 ARG CA C 62 57.290 57.290 55.119 2.171 18692 2025 1 5 . 1 1 62 62 ARG CB C 62 30.828 30.828 28.063 2.765 18692 2026 1 5 . 1 1 62 62 ARG H H 62 7.303 7.303 8.981 -1.678 18692 2027 1 5 . 1 1 63 63 PHE N N 63 120.560 120.560 122.303 -1.743 18692 2028 1 5 . 1 1 63 63 PHE HA H 63 4.613 4.613 4.780 -0.167 18692 2029 1 5 . 1 1 63 63 PHE CA C 63 61.377 61.377 56.355 5.022 18692 2030 1 5 . 1 1 63 63 PHE CB C 63 39.908 39.908 39.924 -0.016 18692 2031 1 5 . 1 1 63 63 PHE H H 63 8.321 8.321 7.876 0.445 18692 2032 1 5 . 1 1 64 64 ASN N N 64 117.616 117.616 115.584 2.032 18692 2033 1 5 . 1 1 64 64 ASN HA H 64 4.377 4.377 4.296 0.081 18692 2034 1 5 . 1 1 64 64 ASN C C 64 176.642 176.642 175.340 1.302 18692 2035 1 5 . 1 1 64 64 ASN CA C 64 53.465 53.465 55.125 -1.660 18692 2036 1 5 . 1 1 64 64 ASN CB C 64 37.450 37.450 37.460 -0.010 18692 2037 1 5 . 1 1 64 64 ASN H H 64 8.101 8.101 9.152 -1.051 18692 2038 1 5 . 1 1 65 65 GLN N N 65 115.548 115.548 120.049 -4.501 18692 2039 1 5 . 1 1 65 65 GLN HA H 65 4.275 4.275 4.320 -0.045 18692 2040 1 5 . 1 1 65 65 GLN C C 65 178.411 178.411 175.110 3.301 18692 2041 1 5 . 1 1 65 65 GLN CA C 65 59.127 59.127 55.700 3.428 18692 2042 1 5 . 1 1 65 65 GLN CB C 65 28.650 28.650 29.634 -0.984 18692 2043 1 5 . 1 1 65 65 GLN H H 65 8.330 8.330 7.897 0.433 18692 2044 1 5 . 1 1 66 66 ALA N N 66 120.802 120.802 122.796 -1.994 18692 2045 1 5 . 1 1 66 66 ALA HA H 66 4.652 4.652 4.195 0.457 18692 2046 1 5 . 1 1 66 66 ALA C C 66 178.893 178.893 177.217 1.676 18692 2047 1 5 . 1 1 66 66 ALA CA C 66 52.751 52.751 52.561 0.190 18692 2048 1 5 . 1 1 66 66 ALA CB C 66 21.705 21.705 19.408 2.297 18692 2049 1 5 . 1 1 66 66 ALA H H 66 8.346 8.346 8.249 0.097 18692 2050 1 5 . 1 1 67 67 ASP N N 67 118.909 118.909 118.536 0.373 18692 2051 1 5 . 1 1 67 67 ASP HA H 67 4.612 4.612 4.342 0.270 18692 2052 1 5 . 1 1 67 67 ASP C C 67 175.639 175.639 175.340 0.299 18692 2053 1 5 . 1 1 67 67 ASP CA C 67 54.726 54.726 54.674 0.052 18692 2054 1 5 . 1 1 67 67 ASP CB C 67 45.152 45.152 40.314 4.838 18692 2055 1 5 . 1 1 67 67 ASP H H 67 8.117 8.117 8.275 -0.158 18692 2056 1 5 . 1 1 68 68 TRP HA H 68 4.477 4.477 4.818 -0.341 18692 2057 1 5 . 1 1 68 68 TRP CA C 68 56.253 56.253 55.879 0.374 18692 2058 1 5 . 1 1 68 68 TRP CB C 68 33.719 33.719 33.334 0.385 18692 2059 1 5 . 1 1 68 68 TRP H H 68 8.310 8.310 7.738 0.572 18692 2060 1 5 . 1 1 69 69 THR N N 69 114.495 114.495 111.734 2.761 18692 2061 1 5 . 1 1 69 69 THR HA H 69 5.605 5.605 4.823 0.782 18692 2062 1 5 . 1 1 69 69 THR C C 69 176.005 176.005 173.124 2.881 18692 2063 1 5 . 1 1 69 69 THR CA C 69 58.855 58.855 60.696 -1.841 18692 2064 1 5 . 1 1 69 69 THR CB C 69 72.755 72.755 70.623 2.132 18692 2065 1 5 . 1 1 69 69 THR H H 69 7.985 7.985 7.956 0.029 18692 2066 1 5 . 1 1 70 70 ILE N N 70 114.448 114.448 125.563 -11.115 18692 2067 1 5 . 1 1 70 70 ILE HA H 70 5.384 5.384 4.668 0.716 18692 2068 1 5 . 1 1 70 70 ILE C C 70 175.751 175.751 174.002 1.749 18692 2069 1 5 . 1 1 70 70 ILE CA C 70 59.637 59.637 58.998 0.639 18692 2070 1 5 . 1 1 70 70 ILE CB C 70 41.689 41.689 41.588 0.101 18692 2071 1 5 . 1 1 70 70 ILE H H 70 8.807 8.807 8.327 0.480 18692 2072 1 5 . 1 1 71 71 VAL N N 71 124.084 124.084 127.089 -3.005 18692 2073 1 5 . 1 1 71 71 VAL HA H 71 5.012 5.012 4.577 0.435 18692 2074 1 5 . 1 1 71 71 VAL C C 71 177.625 177.625 174.858 2.767 18692 2075 1 5 . 1 1 71 71 VAL CA C 71 61.647 61.647 60.820 0.827 18692 2076 1 5 . 1 1 71 71 VAL CB C 71 32.482 32.482 32.058 0.424 18692 2077 1 5 . 1 1 71 71 VAL H H 71 8.500 8.500 8.546 -0.046 18692 2078 1 5 . 1 1 72 72 VAL N N 72 127.753 127.753 126.195 1.558 18692 2079 1 5 . 1 1 72 72 VAL HA H 72 5.147 5.147 4.559 0.588 18692 2080 1 5 . 1 1 72 72 VAL C C 72 175.444 175.444 175.381 0.063 18692 2081 1 5 . 1 1 72 72 VAL CA C 72 60.252 60.252 60.767 -0.515 18692 2082 1 5 . 1 1 72 72 VAL CB C 72 37.425 37.425 33.255 4.170 18692 2083 1 5 . 1 1 72 72 VAL H H 72 9.280 9.280 8.586 0.694 18692 2084 1 5 . 1 1 73 73 ARG N N 73 125.839 125.839 126.887 -1.048 18692 2085 1 5 . 1 1 73 73 ARG HA H 73 5.458 5.458 5.219 0.239 18692 2086 1 5 . 1 1 73 73 ARG C C 73 177.981 177.981 176.360 1.621 18692 2087 1 5 . 1 1 73 73 ARG CA C 73 53.788 53.788 54.196 -0.408 18692 2088 1 5 . 1 1 73 73 ARG CB C 73 33.855 33.855 31.146 2.709 18692 2089 1 5 . 1 1 73 73 ARG H H 73 9.194 9.194 8.502 0.692 18692 2090 1 5 . 1 1 74 74 LYS N N 74 129.522 129.522 126.002 3.520 18692 2091 1 5 . 1 1 74 74 LYS HA H 74 4.323 4.323 4.336 -0.013 18692 2092 1 5 . 1 1 74 74 LYS C C 74 178.340 178.340 175.770 2.570 18692 2093 1 5 . 1 1 74 74 LYS CA C 74 55.983 55.983 57.646 -1.663 18692 2094 1 5 . 1 1 74 74 LYS CB C 74 33.103 33.103 33.633 -0.530 18692 2095 1 5 . 1 1 74 74 LYS H H 74 10.930 10.930 8.229 2.701 18692 2096 1 5 . 1 1 75 75 LYS N N 75 131.817 131.817 119.741 12.076 18692 2097 1 5 . 1 1 75 75 LYS HA H 75 4.489 4.489 4.690 -0.201 18692 2098 1 5 . 1 1 75 75 LYS CA C 75 55.927 55.927 55.814 0.113 18692 2099 1 5 . 1 1 75 75 LYS CB C 75 29.730 29.730 36.091 -6.361 18692 2100 1 5 . 1 1 75 75 LYS H H 75 10.873 10.873 8.259 2.614 18692 2101 1 6 . 1 1 2 2 LYS N N 2 127.399 127.399 120.376 7.023 18692 2102 1 6 . 1 1 2 2 LYS HA H 2 3.954 3.954 4.730 -0.776 18692 2103 1 6 . 1 1 2 2 LYS C C 2 175.826 175.826 174.713 1.113 18692 2104 1 6 . 1 1 2 2 LYS CA C 2 57.475 57.475 55.639 1.836 18692 2105 1 6 . 1 1 2 2 LYS CB C 2 34.009 34.009 32.809 1.200 18692 2106 1 6 . 1 1 2 2 LYS H H 2 9.167 9.167 8.160 1.007 18692 2107 1 6 . 1 1 3 3 ARG N N 3 121.207 121.207 118.319 2.888 18692 2108 1 6 . 1 1 3 3 ARG HA H 3 4.797 4.797 4.816 -0.019 18692 2109 1 6 . 1 1 3 3 ARG C C 3 176.719 176.719 174.214 2.505 18692 2110 1 6 . 1 1 3 3 ARG CA C 3 54.082 54.082 55.192 -1.110 18692 2111 1 6 . 1 1 3 3 ARG CB C 3 32.816 32.816 32.787 0.029 18692 2112 1 6 . 1 1 3 3 ARG H H 3 7.705 7.705 7.719 -0.014 18692 2113 1 6 . 1 1 4 4 PHE N N 4 124.380 124.380 121.301 3.079 18692 2114 1 6 . 1 1 4 4 PHE HA H 4 4.729 4.729 4.807 -0.078 18692 2115 1 6 . 1 1 4 4 PHE C C 4 176.180 176.180 174.077 2.103 18692 2116 1 6 . 1 1 4 4 PHE CA C 4 56.584 56.584 56.975 -0.391 18692 2117 1 6 . 1 1 4 4 PHE CB C 4 41.758 41.758 42.402 -0.644 18692 2118 1 6 . 1 1 4 4 PHE H H 4 8.913 8.913 9.450 -0.537 18692 2119 1 6 . 1 1 5 5 ASP N N 5 123.331 123.331 128.459 -5.128 18692 2120 1 6 . 1 1 5 5 ASP HA H 5 4.390 4.390 4.936 -0.546 18692 2121 1 6 . 1 1 5 5 ASP C C 5 177.524 177.524 175.533 1.991 18692 2122 1 6 . 1 1 5 5 ASP CA C 5 53.344 53.344 53.690 -0.346 18692 2123 1 6 . 1 1 5 5 ASP CB C 5 41.043 41.043 40.931 0.112 18692 2124 1 6 . 1 1 5 5 ASP H H 5 9.113 9.113 8.688 0.425 18692 2125 1 6 . 1 1 6 6 LEU N N 6 122.540 122.540 124.475 -1.935 18692 2126 1 6 . 1 1 6 6 LEU HA H 6 4.304 4.304 4.472 -0.168 18692 2127 1 6 . 1 1 6 6 LEU CA C 6 55.260 55.260 54.556 0.704 18692 2128 1 6 . 1 1 6 6 LEU CB C 6 42.680 42.680 41.608 1.072 18692 2129 1 6 . 1 1 6 6 LEU H H 6 8.305 8.305 8.565 -0.260 18692 2130 1 6 . 1 1 7 7 ARG N N 7 121.715 121.715 121.751 -0.036 18692 2131 1 6 . 1 1 7 7 ARG HA H 7 4.156 4.156 4.076 0.080 18692 2132 1 6 . 1 1 7 7 ARG C C 7 177.664 177.664 175.539 2.125 18692 2133 1 6 . 1 1 7 7 ARG CA C 7 56.463 56.463 60.255 -3.792 18692 2134 1 6 . 1 1 7 7 ARG CB C 7 29.315 29.315 28.708 0.607 18692 2135 1 6 . 1 1 7 7 ARG H H 7 8.293 8.293 8.263 0.030 18692 2136 1 6 . 1 1 8 8 PRO HA H 8 4.365 4.365 4.326 0.039 18692 2137 1 6 . 1 1 8 8 PRO C C 8 178.886 178.886 176.750 2.136 18692 2138 1 6 . 1 1 8 8 PRO CA C 8 65.193 65.193 63.455 1.738 18692 2139 1 6 . 1 1 8 8 PRO CB C 8 31.566 31.566 31.709 -0.143 18692 2140 1 6 . 1 1 9 9 LEU N N 9 114.107 114.107 121.341 -7.234 18692 2141 1 6 . 1 1 9 9 LEU HA H 9 4.175 4.175 4.325 -0.150 18692 2142 1 6 . 1 1 9 9 LEU C C 9 178.897 178.897 176.449 2.448 18692 2143 1 6 . 1 1 9 9 LEU CA C 9 54.878 54.878 54.939 -0.061 18692 2144 1 6 . 1 1 9 9 LEU CB C 9 41.222 41.222 43.461 -2.239 18692 2145 1 6 . 1 1 9 9 LEU H H 9 7.310 7.310 7.137 0.173 18692 2146 1 6 . 1 1 10 10 LYS N N 10 116.563 116.563 121.638 -5.075 18692 2147 1 6 . 1 1 10 10 LYS HA H 10 3.823 3.823 4.352 -0.529 18692 2148 1 6 . 1 1 10 10 LYS C C 10 178.805 178.805 175.747 3.058 18692 2149 1 6 . 1 1 10 10 LYS CA C 10 57.693 57.693 55.137 2.556 18692 2150 1 6 . 1 1 10 10 LYS CB C 10 34.124 34.124 33.588 0.536 18692 2151 1 6 . 1 1 10 10 LYS H H 10 8.132 8.132 8.023 0.109 18692 2152 1 6 . 1 1 11 11 ALA N N 11 124.134 124.134 123.280 0.854 18692 2153 1 6 . 1 1 11 11 ALA HA H 11 4.399 4.399 3.852 0.547 18692 2154 1 6 . 1 1 11 11 ALA C C 11 178.877 178.877 178.065 0.812 18692 2155 1 6 . 1 1 11 11 ALA CA C 11 53.292 53.292 52.856 0.436 18692 2156 1 6 . 1 1 11 11 ALA CB C 11 19.310 19.310 18.518 0.792 18692 2157 1 6 . 1 1 11 11 ALA H H 11 8.239 8.239 8.363 -0.124 18692 2158 1 6 . 1 1 12 12 GLY N N 12 108.661 108.661 111.060 -2.399 18692 2159 1 6 . 1 1 12 12 GLY C C 12 178.614 178.614 174.515 4.099 18692 2160 1 6 . 1 1 12 12 GLY CA C 12 47.640 47.640 45.614 2.026 18692 2161 1 6 . 1 1 12 12 GLY H H 12 8.186 8.186 8.882 -0.696 18692 2162 1 6 . 1 1 13 13 ILE N N 13 123.465 123.465 122.010 1.455 18692 2163 1 6 . 1 1 13 13 ILE HA H 13 4.150 4.150 4.356 -0.206 18692 2164 1 6 . 1 1 13 13 ILE C C 13 177.234 177.234 177.227 0.007 18692 2165 1 6 . 1 1 13 13 ILE CA C 13 60.500 60.500 61.969 -1.470 18692 2166 1 6 . 1 1 13 13 ILE CB C 13 36.970 36.970 39.077 -2.107 18692 2167 1 6 . 1 1 13 13 ILE H H 13 8.309 8.309 7.477 0.832 18692 2168 1 6 . 1 1 14 14 PHE N N 14 119.560 119.560 120.274 -0.714 18692 2169 1 6 . 1 1 14 14 PHE HA H 14 3.354 3.354 4.161 -0.807 18692 2170 1 6 . 1 1 14 14 PHE C C 14 179.301 179.301 176.721 2.580 18692 2171 1 6 . 1 1 14 14 PHE CA C 14 63.883 63.883 61.200 2.683 18692 2172 1 6 . 1 1 14 14 PHE CB C 14 37.608 37.608 37.890 -0.282 18692 2173 1 6 . 1 1 14 14 PHE H H 14 7.801 7.801 8.047 -0.246 18692 2174 1 6 . 1 1 15 15 GLU N N 15 121.567 121.567 119.745 1.822 18692 2175 1 6 . 1 1 15 15 GLU HA H 15 4.260 4.260 3.432 0.828 18692 2176 1 6 . 1 1 15 15 GLU C C 15 181.428 181.428 177.628 3.800 18692 2177 1 6 . 1 1 15 15 GLU CA C 15 60.579 60.579 58.059 2.520 18692 2178 1 6 . 1 1 15 15 GLU CB C 15 28.158 28.158 28.833 -0.675 18692 2179 1 6 . 1 1 15 15 GLU H H 15 8.331 8.331 8.207 0.124 18692 2180 1 6 . 1 1 16 16 ARG N N 16 121.602 121.602 119.109 2.493 18692 2181 1 6 . 1 1 16 16 ARG HA H 16 4.104 4.104 3.714 0.390 18692 2182 1 6 . 1 1 16 16 ARG C C 16 179.418 179.418 178.820 0.598 18692 2183 1 6 . 1 1 16 16 ARG CA C 16 56.877 56.877 58.809 -1.932 18692 2184 1 6 . 1 1 16 16 ARG CB C 16 29.397 29.397 29.952 -0.555 18692 2185 1 6 . 1 1 16 16 ARG H H 16 8.240 8.240 7.199 1.041 18692 2186 1 6 . 1 1 17 17 LEU N N 17 119.769 119.769 120.208 -0.439 18692 2187 1 6 . 1 1 17 17 LEU HA H 17 3.619 3.619 4.070 -0.451 18692 2188 1 6 . 1 1 17 17 LEU C C 17 179.136 179.136 177.804 1.332 18692 2189 1 6 . 1 1 17 17 LEU CA C 17 59.104 59.104 56.992 2.112 18692 2190 1 6 . 1 1 17 17 LEU CB C 17 42.770 42.770 41.297 1.473 18692 2191 1 6 . 1 1 17 17 LEU H H 17 8.134 8.134 8.543 -0.409 18692 2192 1 6 . 1 1 18 18 GLU N N 18 115.547 115.547 118.448 -2.901 18692 2193 1 6 . 1 1 18 18 GLU HA H 18 3.889 3.889 3.313 0.576 18692 2194 1 6 . 1 1 18 18 GLU C C 18 179.643 179.643 178.225 1.418 18692 2195 1 6 . 1 1 18 18 GLU CA C 18 59.929 59.929 59.465 0.464 18692 2196 1 6 . 1 1 18 18 GLU CB C 18 29.170 29.170 28.824 0.346 18692 2197 1 6 . 1 1 18 18 GLU H H 18 7.674 7.674 7.661 0.013 18692 2198 1 6 . 1 1 19 19 GLU N N 19 119.211 119.211 118.506 0.705 18692 2199 1 6 . 1 1 19 19 GLU HA H 19 4.047 4.047 4.008 0.039 18692 2200 1 6 . 1 1 19 19 GLU C C 19 180.374 180.374 178.020 2.354 18692 2201 1 6 . 1 1 19 19 GLU CA C 19 59.441 59.441 58.184 1.257 18692 2202 1 6 . 1 1 19 19 GLU CB C 19 30.269 30.269 29.506 0.763 18692 2203 1 6 . 1 1 19 19 GLU H H 19 7.782 7.782 7.398 0.384 18692 2204 1 6 . 1 1 20 20 LEU N N 20 119.264 119.264 120.149 -0.885 18692 2205 1 6 . 1 1 20 20 LEU HA H 20 3.761 3.761 3.939 -0.178 18692 2206 1 6 . 1 1 20 20 LEU C C 20 181.666 181.666 178.802 2.864 18692 2207 1 6 . 1 1 20 20 LEU CA C 20 57.862 57.862 57.683 0.179 18692 2208 1 6 . 1 1 20 20 LEU CB C 20 42.111 42.111 42.062 0.049 18692 2209 1 6 . 1 1 20 20 LEU H H 20 8.507 8.507 7.447 1.060 18692 2210 1 6 . 1 1 21 21 ILE N N 21 117.879 117.879 117.383 0.496 18692 2211 1 6 . 1 1 21 21 ILE HA H 21 3.697 3.697 3.846 -0.149 18692 2212 1 6 . 1 1 21 21 ILE C C 21 181.696 181.696 176.927 4.769 18692 2213 1 6 . 1 1 21 21 ILE CA C 21 65.174 65.174 62.333 2.841 18692 2214 1 6 . 1 1 21 21 ILE CB C 21 38.420 38.420 37.826 0.594 18692 2215 1 6 . 1 1 21 21 ILE H H 21 7.750 7.750 6.971 0.779 18692 2216 1 6 . 1 1 22 22 GLU N N 22 116.656 116.656 119.858 -3.202 18692 2217 1 6 . 1 1 22 22 GLU HA H 22 3.891 3.891 3.999 -0.108 18692 2218 1 6 . 1 1 22 22 GLU C C 22 180.424 180.424 177.931 2.493 18692 2219 1 6 . 1 1 22 22 GLU CA C 22 59.864 59.864 58.721 1.143 18692 2220 1 6 . 1 1 22 22 GLU CB C 22 30.047 30.047 28.888 1.159 18692 2221 1 6 . 1 1 22 22 GLU H H 22 8.203 8.203 7.456 0.747 18692 2222 1 6 . 1 1 23 23 LYS N N 23 113.426 113.426 117.263 -3.837 18692 2223 1 6 . 1 1 23 23 LYS HA H 23 4.392 4.392 4.122 0.270 18692 2224 1 6 . 1 1 23 23 LYS C C 23 180.639 180.639 178.118 2.521 18692 2225 1 6 . 1 1 23 23 LYS CA C 23 57.952 57.952 58.123 -0.171 18692 2226 1 6 . 1 1 23 23 LYS CB C 23 34.655 34.655 32.359 2.296 18692 2227 1 6 . 1 1 23 23 LYS H H 23 8.713 8.713 7.364 1.349 18692 2228 1 6 . 1 1 24 24 GLU N N 24 115.943 115.943 117.144 -1.201 18692 2229 1 6 . 1 1 24 24 GLU HA H 24 4.730 4.730 4.192 0.538 18692 2230 1 6 . 1 1 24 24 GLU C C 24 177.407 177.407 177.479 -0.072 18692 2231 1 6 . 1 1 24 24 GLU CA C 24 56.241 56.241 57.156 -0.915 18692 2232 1 6 . 1 1 24 24 GLU CB C 24 30.664 30.664 30.481 0.183 18692 2233 1 6 . 1 1 24 24 GLU H H 24 8.225 8.225 7.685 0.540 18692 2234 1 6 . 1 1 25 25 MET N N 25 115.075 115.075 117.362 -2.287 18692 2235 1 6 . 1 1 25 25 MET HA H 25 4.832 4.832 4.224 0.608 18692 2236 1 6 . 1 1 25 25 MET C C 25 177.286 177.286 176.819 0.467 18692 2237 1 6 . 1 1 25 25 MET CA C 25 55.022 55.022 55.283 -0.261 18692 2238 1 6 . 1 1 25 25 MET CB C 25 37.416 37.416 32.047 5.369 18692 2239 1 6 . 1 1 25 25 MET H H 25 6.860 6.860 7.559 -0.699 18692 2240 1 6 . 1 1 26 26 GLN N N 26 122.801 122.801 121.878 0.923 18692 2241 1 6 . 1 1 26 26 GLN HA H 26 4.345 4.345 4.346 -0.001 18692 2242 1 6 . 1 1 26 26 GLN C C 26 175.718 175.718 176.284 -0.566 18692 2243 1 6 . 1 1 26 26 GLN CA C 26 52.909 52.909 56.404 -3.495 18692 2244 1 6 . 1 1 26 26 GLN CB C 26 28.417 28.417 28.811 -0.395 18692 2245 1 6 . 1 1 26 26 GLN H H 26 9.264 9.264 8.180 1.084 18692 2246 1 6 . 1 1 27 27 PRO HA H 27 3.915 3.915 4.311 -0.396 18692 2247 1 6 . 1 1 27 27 PRO C C 27 177.450 177.450 175.800 1.650 18692 2248 1 6 . 1 1 27 27 PRO CA C 27 64.908 64.908 64.771 0.137 18692 2249 1 6 . 1 1 27 27 PRO CB C 27 31.265 31.265 32.268 -1.003 18692 2250 1 6 . 1 1 28 28 ASN N N 28 118.995 118.995 114.132 4.863 18692 2251 1 6 . 1 1 28 28 ASN HA H 28 4.475 4.475 5.215 -0.740 18692 2252 1 6 . 1 1 28 28 ASN C C 28 179.421 179.421 174.175 5.246 18692 2253 1 6 . 1 1 28 28 ASN CA C 28 55.368 55.368 52.497 2.871 18692 2254 1 6 . 1 1 28 28 ASN CB C 28 38.967 38.967 39.711 -0.744 18692 2255 1 6 . 1 1 28 28 ASN H H 28 8.458 8.458 8.197 0.261 18692 2256 1 6 . 1 1 29 29 GLU N N 29 123.128 123.128 119.766 3.362 18692 2257 1 6 . 1 1 29 29 GLU HA H 29 4.291 4.291 4.577 -0.286 18692 2258 1 6 . 1 1 29 29 GLU C C 29 175.883 175.883 174.391 1.492 18692 2259 1 6 . 1 1 29 29 GLU CA C 29 56.876 56.876 54.710 2.166 18692 2260 1 6 . 1 1 29 29 GLU CB C 29 31.863 31.863 33.523 -1.660 18692 2261 1 6 . 1 1 29 29 GLU H H 29 8.294 8.294 7.575 0.719 18692 2262 1 6 . 1 1 30 30 VAL N N 30 123.635 123.635 120.747 2.888 18692 2263 1 6 . 1 1 30 30 VAL HA H 30 5.293 5.293 4.645 0.648 18692 2264 1 6 . 1 1 30 30 VAL C C 30 177.201 177.201 175.126 2.075 18692 2265 1 6 . 1 1 30 30 VAL CA C 30 60.562 60.562 61.540 -0.978 18692 2266 1 6 . 1 1 30 30 VAL CB C 30 33.419 33.419 34.205 -0.786 18692 2267 1 6 . 1 1 30 30 VAL H H 30 8.067 8.067 8.469 -0.402 18692 2268 1 6 . 1 1 31 31 ALA N N 31 127.391 127.391 130.058 -2.667 18692 2269 1 6 . 1 1 31 31 ALA HA H 31 4.919 4.919 5.017 -0.098 18692 2270 1 6 . 1 1 31 31 ALA C C 31 176.179 176.179 176.248 -0.069 18692 2271 1 6 . 1 1 31 31 ALA CA C 31 51.470 51.470 49.876 1.594 18692 2272 1 6 . 1 1 31 31 ALA CB C 31 24.772 24.772 21.376 3.396 18692 2273 1 6 . 1 1 31 31 ALA H H 31 9.086 9.086 8.408 0.678 18692 2274 1 6 . 1 1 32 32 ILE N N 32 118.468 118.468 126.018 -7.550 18692 2275 1 6 . 1 1 32 32 ILE HA H 32 5.102 5.102 4.355 0.747 18692 2276 1 6 . 1 1 32 32 ILE C C 32 176.300 176.300 174.802 1.498 18692 2277 1 6 . 1 1 32 32 ILE CA C 32 59.604 59.604 60.985 -1.381 18692 2278 1 6 . 1 1 32 32 ILE CB C 32 41.416 41.416 38.702 2.714 18692 2279 1 6 . 1 1 32 32 ILE H H 32 8.175 8.175 7.976 0.199 18692 2280 1 6 . 1 1 33 33 PHE N N 33 123.926 123.926 128.084 -4.158 18692 2281 1 6 . 1 1 33 33 PHE HA H 33 5.407 5.407 5.498 -0.091 18692 2282 1 6 . 1 1 33 33 PHE C C 33 176.695 176.695 176.087 0.608 18692 2283 1 6 . 1 1 33 33 PHE CA C 33 56.627 56.627 55.089 1.538 18692 2284 1 6 . 1 1 33 33 PHE CB C 33 41.583 41.583 39.167 2.416 18692 2285 1 6 . 1 1 33 33 PHE H H 33 9.277 9.277 9.071 0.206 18692 2286 1 6 . 1 1 34 34 MET N N 34 120.519 120.519 124.655 -4.136 18692 2287 1 6 . 1 1 34 34 MET HA H 34 5.517 5.517 5.210 0.307 18692 2288 1 6 . 1 1 34 34 MET C C 34 177.123 177.123 175.278 1.845 18692 2289 1 6 . 1 1 34 34 MET CA C 34 53.515 53.515 55.881 -2.366 18692 2290 1 6 . 1 1 34 34 MET CB C 34 36.447 36.447 33.863 2.584 18692 2291 1 6 . 1 1 34 34 MET H H 34 8.606 8.606 8.967 -0.361 18692 2292 1 6 . 1 1 35 35 PHE N N 35 118.119 118.119 121.210 -3.091 18692 2293 1 6 . 1 1 35 35 PHE HA H 35 4.642 4.642 5.161 -0.519 18692 2294 1 6 . 1 1 35 35 PHE C C 35 175.188 175.188 173.764 1.424 18692 2295 1 6 . 1 1 35 35 PHE CA C 35 56.100 56.100 55.754 0.346 18692 2296 1 6 . 1 1 35 35 PHE CB C 35 41.450 41.450 41.102 0.348 18692 2297 1 6 . 1 1 35 35 PHE H H 35 8.832 8.832 8.935 -0.103 18692 2298 1 6 . 1 1 36 36 GLU N N 36 120.598 120.598 122.630 -2.032 18692 2299 1 6 . 1 1 36 36 GLU HA H 36 4.890 4.890 4.268 0.622 18692 2300 1 6 . 1 1 36 36 GLU C C 36 179.258 179.258 175.700 3.558 18692 2301 1 6 . 1 1 36 36 GLU CA C 36 57.184 57.184 56.178 1.006 18692 2302 1 6 . 1 1 36 36 GLU CB C 36 30.844 30.844 29.919 0.925 18692 2303 1 6 . 1 1 36 36 GLU H H 36 9.421 9.421 8.842 0.579 18692 2304 1 6 . 1 1 37 37 VAL N N 37 122.817 122.817 120.072 2.745 18692 2305 1 6 . 1 1 37 37 VAL HA H 37 4.230 4.230 4.175 0.055 18692 2306 1 6 . 1 1 37 37 VAL C C 37 176.550 176.550 177.465 -0.915 18692 2307 1 6 . 1 1 37 37 VAL CA C 37 65.923 65.923 62.498 3.425 18692 2308 1 6 . 1 1 37 37 VAL H H 37 9.005 9.005 7.617 1.388 18692 2309 1 6 . 1 1 38 38 GLY N N 38 109.660 109.660 111.169 -1.509 18692 2310 1 6 . 1 1 38 38 GLY C C 38 173.860 173.860 174.616 -0.756 18692 2311 1 6 . 1 1 38 38 GLY CA C 38 44.560 44.560 45.554 -0.994 18692 2312 1 6 . 1 1 38 38 GLY H H 38 8.440 8.440 8.646 -0.206 18692 2313 1 6 . 1 1 39 39 ASP N N 39 119.440 119.440 122.890 -3.450 18692 2314 1 6 . 1 1 39 39 ASP HA H 39 4.910 4.910 4.593 0.317 18692 2315 1 6 . 1 1 39 39 ASP C C 39 177.550 177.550 176.100 1.450 18692 2316 1 6 . 1 1 39 39 ASP CA C 39 54.420 54.420 54.230 0.190 18692 2317 1 6 . 1 1 39 39 ASP CB C 39 37.150 37.150 39.421 -2.271 18692 2318 1 6 . 1 1 39 39 ASP H H 39 8.330 8.330 8.376 -0.046 18692 2319 1 6 . 1 1 40 40 PHE N N 40 123.361 123.361 121.208 2.153 18692 2320 1 6 . 1 1 40 40 PHE HA H 40 4.620 4.620 4.442 0.178 18692 2321 1 6 . 1 1 40 40 PHE CA C 40 56.250 56.250 58.259 -2.009 18692 2322 1 6 . 1 1 40 40 PHE CB C 40 36.150 36.150 38.879 -2.729 18692 2323 1 6 . 1 1 40 40 PHE H H 40 7.949 7.949 7.772 0.177 18692 2324 1 6 . 1 1 41 41 SER N N 41 121.483 121.483 115.073 6.410 18692 2325 1 6 . 1 1 41 41 SER HA H 41 4.492 4.492 3.927 0.565 18692 2326 1 6 . 1 1 41 41 SER C C 41 174.554 174.554 175.366 -0.812 18692 2327 1 6 . 1 1 41 41 SER CA C 41 59.660 59.660 59.446 0.214 18692 2328 1 6 . 1 1 41 41 SER CB C 41 63.220 63.220 62.829 0.391 18692 2329 1 6 . 1 1 41 41 SER H H 41 8.519 8.519 7.651 0.868 18692 2330 1 6 . 1 1 42 42 ASN N N 42 118.920 118.920 118.776 0.144 18692 2331 1 6 . 1 1 42 42 ASN HA H 42 4.910 4.910 4.619 0.291 18692 2332 1 6 . 1 1 42 42 ASN CA C 42 53.490 53.490 54.320 -0.830 18692 2333 1 6 . 1 1 42 42 ASN CB C 42 38.120 38.120 38.521 -0.401 18692 2334 1 6 . 1 1 42 42 ASN H H 42 8.330 8.330 8.039 0.291 18692 2335 1 6 . 1 1 43 43 ILE N N 43 121.540 121.540 121.355 0.185 18692 2336 1 6 . 1 1 43 43 ILE HA H 43 4.180 4.180 3.848 0.332 18692 2337 1 6 . 1 1 43 43 ILE CA C 43 60.110 60.110 65.950 -5.840 18692 2338 1 6 . 1 1 43 43 ILE CB C 43 38.440 38.440 35.090 3.350 18692 2339 1 6 . 1 1 43 43 ILE H H 43 8.293 8.293 7.459 0.834 18692 2340 1 6 . 1 1 44 44 PRO HA H 44 4.461 4.461 4.308 0.153 18692 2341 1 6 . 1 1 44 44 PRO C C 44 176.465 176.465 178.632 -2.167 18692 2342 1 6 . 1 1 44 44 PRO CA C 44 65.358 65.358 65.200 0.158 18692 2343 1 6 . 1 1 44 44 PRO CB C 44 30.441 30.441 31.151 -0.710 18692 2344 1 6 . 1 1 45 45 LYS N N 45 116.236 116.236 119.073 -2.837 18692 2345 1 6 . 1 1 45 45 LYS HA H 45 4.128 4.128 4.042 0.086 18692 2346 1 6 . 1 1 45 45 LYS C C 45 181.467 181.467 178.490 2.977 18692 2347 1 6 . 1 1 45 45 LYS CA C 45 59.712 59.712 59.312 0.400 18692 2348 1 6 . 1 1 45 45 LYS CB C 45 33.281 33.281 32.075 1.206 18692 2349 1 6 . 1 1 45 45 LYS H H 45 7.270 7.270 7.860 -0.590 18692 2350 1 6 . 1 1 46 46 SER N N 46 116.059 116.059 115.619 0.440 18692 2351 1 6 . 1 1 46 46 SER HA H 46 4.080 4.080 4.235 -0.155 18692 2352 1 6 . 1 1 46 46 SER C C 46 177.432 177.432 176.243 1.189 18692 2353 1 6 . 1 1 46 46 SER CA C 46 63.202 63.202 60.853 2.349 18692 2354 1 6 . 1 1 46 46 SER CB C 46 62.118 62.118 62.999 -0.881 18692 2355 1 6 . 1 1 46 46 SER H H 46 8.293 8.293 7.621 0.672 18692 2356 1 6 . 1 1 47 47 ALA N N 47 126.579 126.579 122.717 3.862 18692 2357 1 6 . 1 1 47 47 ALA HA H 47 4.128 4.128 4.058 0.070 18692 2358 1 6 . 1 1 47 47 ALA C C 47 181.528 181.528 178.686 2.842 18692 2359 1 6 . 1 1 47 47 ALA CA C 47 55.704 55.704 54.638 1.066 18692 2360 1 6 . 1 1 47 47 ALA CB C 47 18.326 18.326 18.133 0.194 18692 2361 1 6 . 1 1 47 47 ALA H H 47 6.990 6.990 7.567 -0.577 18692 2362 1 6 . 1 1 48 48 GLU N N 48 117.980 117.980 117.373 0.607 18692 2363 1 6 . 1 1 48 48 GLU HA H 48 4.062 4.062 3.265 0.797 18692 2364 1 6 . 1 1 48 48 GLU C C 48 180.822 180.822 177.658 3.164 18692 2365 1 6 . 1 1 48 48 GLU CA C 48 59.100 59.100 57.696 1.404 18692 2366 1 6 . 1 1 48 48 GLU CB C 48 29.770 29.770 29.337 0.433 18692 2367 1 6 . 1 1 48 48 GLU H H 48 7.863 7.863 7.320 0.543 18692 2368 1 6 . 1 1 49 49 PHE N N 49 122.179 122.179 118.405 3.774 18692 2369 1 6 . 1 1 49 49 PHE HA H 49 4.117 4.117 4.134 -0.017 18692 2370 1 6 . 1 1 49 49 PHE C C 49 179.580 179.580 177.056 2.524 18692 2371 1 6 . 1 1 49 49 PHE CA C 49 57.813 57.813 60.629 -2.816 18692 2372 1 6 . 1 1 49 49 PHE CB C 49 41.695 41.695 39.081 2.614 18692 2373 1 6 . 1 1 49 49 PHE H H 49 8.341 8.341 7.583 0.758 18692 2374 1 6 . 1 1 50 50 ILE N N 50 117.469 117.469 117.107 0.362 18692 2375 1 6 . 1 1 50 50 ILE HA H 50 3.533 3.533 3.942 -0.409 18692 2376 1 6 . 1 1 50 50 ILE C C 50 179.698 179.698 176.414 3.284 18692 2377 1 6 . 1 1 50 50 ILE CA C 50 62.884 62.884 62.807 0.076 18692 2378 1 6 . 1 1 50 50 ILE CB C 50 36.669 36.669 37.837 -1.168 18692 2379 1 6 . 1 1 50 50 ILE H H 50 8.322 8.322 7.235 1.087 18692 2380 1 6 . 1 1 51 51 GLN N N 51 117.190 117.190 117.354 -0.164 18692 2381 1 6 . 1 1 51 51 GLN HA H 51 4.261 4.261 4.478 -0.217 18692 2382 1 6 . 1 1 51 51 GLN C C 51 182.627 182.627 176.202 6.425 18692 2383 1 6 . 1 1 51 51 GLN CA C 51 58.862 58.862 55.158 3.704 18692 2384 1 6 . 1 1 51 51 GLN CB C 51 28.451 28.451 32.061 -3.610 18692 2385 1 6 . 1 1 51 51 GLN H H 51 7.887 7.887 7.573 0.314 18692 2386 1 6 . 1 1 52 52 SER N N 52 117.670 117.670 119.865 -2.195 18692 2387 1 6 . 1 1 52 52 SER HA H 52 4.137 4.137 4.260 -0.123 18692 2388 1 6 . 1 1 52 52 SER CA C 52 61.401 61.401 61.127 0.274 18692 2389 1 6 . 1 1 52 52 SER CB C 52 62.615 62.615 63.474 -0.859 18692 2390 1 6 . 1 1 52 52 SER H H 52 8.556 8.556 8.731 -0.175 18692 2391 1 6 . 1 1 53 53 LYS N N 53 119.008 119.008 121.433 -2.425 18692 2392 1 6 . 1 1 53 53 LYS HA H 53 4.170 4.170 4.376 -0.206 18692 2393 1 6 . 1 1 53 53 LYS C C 53 177.911 177.911 175.451 2.460 18692 2394 1 6 . 1 1 53 53 LYS CA C 53 54.662 54.662 56.011 -1.349 18692 2395 1 6 . 1 1 53 53 LYS CB C 53 32.652 32.652 33.753 -1.101 18692 2396 1 6 . 1 1 53 53 LYS H H 53 7.064 7.064 7.645 -0.581 18692 2397 1 6 . 1 1 54 54 GLY N N 54 105.188 105.188 111.107 -5.919 18692 2398 1 6 . 1 1 54 54 GLY C C 54 175.528 175.528 173.678 1.850 18692 2399 1 6 . 1 1 54 54 GLY CA C 54 45.118 45.118 45.616 -0.498 18692 2400 1 6 . 1 1 54 54 GLY H H 54 7.548 7.548 8.502 -0.954 18692 2401 1 6 . 1 1 55 55 HIS N N 55 118.294 118.294 121.938 -3.644 18692 2402 1 6 . 1 1 55 55 HIS HA H 55 4.947 4.947 4.677 0.270 18692 2403 1 6 . 1 1 55 55 HIS C C 55 175.240 175.240 174.249 0.991 18692 2404 1 6 . 1 1 55 55 HIS CA C 55 54.847 54.847 55.448 -0.601 18692 2405 1 6 . 1 1 55 55 HIS CB C 55 31.315 31.315 29.152 2.163 18692 2406 1 6 . 1 1 55 55 HIS H H 55 6.998 6.998 8.101 -1.103 18692 2407 1 6 . 1 1 56 56 GLU N N 56 118.205 118.205 125.868 -7.663 18692 2408 1 6 . 1 1 56 56 GLU HA H 56 4.666 4.666 4.475 0.191 18692 2409 1 6 . 1 1 56 56 GLU C C 56 176.766 176.766 174.993 1.773 18692 2410 1 6 . 1 1 56 56 GLU CA C 56 55.162 55.162 54.923 0.239 18692 2411 1 6 . 1 1 56 56 GLU CB C 56 33.110 33.110 32.266 0.844 18692 2412 1 6 . 1 1 56 56 GLU H H 56 8.509 8.509 8.087 0.422 18692 2413 1 6 . 1 1 57 57 LEU N N 57 127.769 127.769 127.236 0.533 18692 2414 1 6 . 1 1 57 57 LEU HA H 57 4.786 4.786 4.693 0.093 18692 2415 1 6 . 1 1 57 57 LEU C C 57 177.854 177.854 177.709 0.145 18692 2416 1 6 . 1 1 57 57 LEU CA C 57 53.780 53.780 54.051 -0.272 18692 2417 1 6 . 1 1 57 57 LEU CB C 57 42.676 42.676 40.500 2.176 18692 2418 1 6 . 1 1 57 57 LEU H H 57 8.978 8.978 8.839 0.139 18692 2419 1 6 . 1 1 58 58 LEU N N 58 128.364 128.364 125.844 2.520 18692 2420 1 6 . 1 1 58 58 LEU HA H 58 4.402 4.402 4.007 0.395 18692 2421 1 6 . 1 1 58 58 LEU C C 58 179.469 179.469 177.150 2.319 18692 2422 1 6 . 1 1 58 58 LEU CA C 58 56.534 56.534 57.692 -1.158 18692 2423 1 6 . 1 1 58 58 LEU CB C 58 42.371 42.371 42.471 -0.101 18692 2424 1 6 . 1 1 58 58 LEU H H 58 9.128 9.128 8.182 0.946 18692 2425 1 6 . 1 1 59 59 ASN N N 59 113.622 113.622 115.569 -1.947 18692 2426 1 6 . 1 1 59 59 ASN HA H 59 4.918 4.918 4.876 0.042 18692 2427 1 6 . 1 1 59 59 ASN C C 59 175.560 175.560 174.260 1.300 18692 2428 1 6 . 1 1 59 59 ASN CA C 59 52.389 52.389 52.237 0.152 18692 2429 1 6 . 1 1 59 59 ASN CB C 59 41.887 41.887 40.364 1.523 18692 2430 1 6 . 1 1 59 59 ASN H H 59 7.574 7.574 8.065 -0.491 18692 2431 1 6 . 1 1 60 60 SER N N 60 118.134 118.134 120.077 -1.943 18692 2432 1 6 . 1 1 60 60 SER HA H 60 4.045 4.045 4.321 -0.276 18692 2433 1 6 . 1 1 60 60 SER CA C 60 56.925 56.925 58.386 -1.461 18692 2434 1 6 . 1 1 60 60 SER CB C 60 63.649 63.649 63.887 -0.238 18692 2435 1 6 . 1 1 60 60 SER H H 60 8.436 8.436 8.497 -0.061 18692 2436 1 6 . 1 1 61 61 LEU N N 61 128.266 128.266 120.818 7.448 18692 2437 1 6 . 1 1 61 61 LEU HA H 61 4.219 4.219 4.580 -0.361 18692 2438 1 6 . 1 1 61 61 LEU CA C 61 55.106 55.106 55.407 -0.301 18692 2439 1 6 . 1 1 61 61 LEU CB C 61 44.577 44.577 42.298 2.279 18692 2440 1 6 . 1 1 61 61 LEU H H 61 8.725 8.725 8.239 0.486 18692 2441 1 6 . 1 1 62 62 ARG N N 62 122.383 122.383 125.843 -3.460 18692 2442 1 6 . 1 1 62 62 ARG HA H 62 4.312 4.312 4.232 0.080 18692 2443 1 6 . 1 1 62 62 ARG C C 62 176.560 176.560 175.587 0.973 18692 2444 1 6 . 1 1 62 62 ARG CA C 62 57.290 57.290 55.158 2.132 18692 2445 1 6 . 1 1 62 62 ARG CB C 62 30.828 30.828 28.401 2.427 18692 2446 1 6 . 1 1 62 62 ARG H H 62 7.303 7.303 9.066 -1.763 18692 2447 1 6 . 1 1 63 63 PHE N N 63 120.560 120.560 122.427 -1.867 18692 2448 1 6 . 1 1 63 63 PHE HA H 63 4.613 4.613 4.748 -0.135 18692 2449 1 6 . 1 1 63 63 PHE CA C 63 61.377 61.377 57.620 3.757 18692 2450 1 6 . 1 1 63 63 PHE CB C 63 39.908 39.908 39.455 0.453 18692 2451 1 6 . 1 1 63 63 PHE H H 63 8.321 8.321 7.992 0.329 18692 2452 1 6 . 1 1 64 64 ASN N N 64 117.616 117.616 114.752 2.864 18692 2453 1 6 . 1 1 64 64 ASN HA H 64 4.377 4.377 4.397 -0.020 18692 2454 1 6 . 1 1 64 64 ASN C C 64 176.642 176.642 175.269 1.373 18692 2455 1 6 . 1 1 64 64 ASN CA C 64 53.465 53.465 55.651 -2.186 18692 2456 1 6 . 1 1 64 64 ASN CB C 64 37.450 37.450 37.426 0.024 18692 2457 1 6 . 1 1 64 64 ASN H H 64 8.101 8.101 9.149 -1.048 18692 2458 1 6 . 1 1 65 65 GLN N N 65 115.548 115.548 120.230 -4.682 18692 2459 1 6 . 1 1 65 65 GLN HA H 65 4.275 4.275 4.320 -0.045 18692 2460 1 6 . 1 1 65 65 GLN C C 65 178.411 178.411 175.649 2.762 18692 2461 1 6 . 1 1 65 65 GLN CA C 65 59.127 59.127 55.530 3.597 18692 2462 1 6 . 1 1 65 65 GLN CB C 65 28.650 28.650 29.718 -1.068 18692 2463 1 6 . 1 1 65 65 GLN H H 65 8.330 8.330 8.033 0.297 18692 2464 1 6 . 1 1 66 66 ALA N N 66 120.802 120.802 122.355 -1.553 18692 2465 1 6 . 1 1 66 66 ALA HA H 66 4.652 4.652 4.171 0.481 18692 2466 1 6 . 1 1 66 66 ALA C C 66 178.893 178.893 176.824 2.069 18692 2467 1 6 . 1 1 66 66 ALA CA C 66 52.751 52.751 52.557 0.194 18692 2468 1 6 . 1 1 66 66 ALA CB C 66 21.705 21.705 19.451 2.254 18692 2469 1 6 . 1 1 66 66 ALA H H 66 8.346 8.346 8.159 0.187 18692 2470 1 6 . 1 1 67 67 ASP N N 67 118.909 118.909 117.706 1.203 18692 2471 1 6 . 1 1 67 67 ASP HA H 67 4.612 4.612 4.382 0.230 18692 2472 1 6 . 1 1 67 67 ASP C C 67 175.639 175.639 175.467 0.172 18692 2473 1 6 . 1 1 67 67 ASP CA C 67 54.726 54.726 54.854 -0.128 18692 2474 1 6 . 1 1 67 67 ASP CB C 67 45.152 45.152 40.559 4.593 18692 2475 1 6 . 1 1 67 67 ASP H H 67 8.117 8.117 8.177 -0.060 18692 2476 1 6 . 1 1 68 68 TRP HA H 68 4.477 4.477 4.787 -0.310 18692 2477 1 6 . 1 1 68 68 TRP CA C 68 56.253 56.253 56.089 0.164 18692 2478 1 6 . 1 1 68 68 TRP CB C 68 33.719 33.719 33.752 -0.032 18692 2479 1 6 . 1 1 68 68 TRP H H 68 8.310 8.310 7.990 0.320 18692 2480 1 6 . 1 1 69 69 THR N N 69 114.495 114.495 111.564 2.931 18692 2481 1 6 . 1 1 69 69 THR HA H 69 5.605 5.605 4.827 0.778 18692 2482 1 6 . 1 1 69 69 THR C C 69 176.005 176.005 173.150 2.855 18692 2483 1 6 . 1 1 69 69 THR CA C 69 58.855 58.855 60.533 -1.678 18692 2484 1 6 . 1 1 69 69 THR CB C 69 72.755 72.755 70.743 2.012 18692 2485 1 6 . 1 1 69 69 THR H H 69 7.985 7.985 8.088 -0.103 18692 2486 1 6 . 1 1 70 70 ILE N N 70 114.448 114.448 125.688 -11.240 18692 2487 1 6 . 1 1 70 70 ILE HA H 70 5.384 5.384 4.707 0.677 18692 2488 1 6 . 1 1 70 70 ILE C C 70 175.751 175.751 173.784 1.967 18692 2489 1 6 . 1 1 70 70 ILE CA C 70 59.637 59.637 59.210 0.427 18692 2490 1 6 . 1 1 70 70 ILE CB C 70 41.689 41.689 41.873 -0.185 18692 2491 1 6 . 1 1 70 70 ILE H H 70 8.807 8.807 8.020 0.787 18692 2492 1 6 . 1 1 71 71 VAL N N 71 124.084 124.084 126.400 -2.316 18692 2493 1 6 . 1 1 71 71 VAL HA H 71 5.012 5.012 4.638 0.374 18692 2494 1 6 . 1 1 71 71 VAL C C 71 177.625 177.625 174.595 3.030 18692 2495 1 6 . 1 1 71 71 VAL CA C 71 61.647 61.647 60.783 0.864 18692 2496 1 6 . 1 1 71 71 VAL CB C 71 32.482 32.482 32.806 -0.324 18692 2497 1 6 . 1 1 71 71 VAL H H 71 8.500 8.500 8.459 0.041 18692 2498 1 6 . 1 1 72 72 VAL N N 72 127.753 127.753 123.946 3.807 18692 2499 1 6 . 1 1 72 72 VAL HA H 72 5.147 5.147 4.428 0.719 18692 2500 1 6 . 1 1 72 72 VAL C C 72 175.444 175.444 175.078 0.366 18692 2501 1 6 . 1 1 72 72 VAL CA C 72 60.252 60.252 60.583 -0.331 18692 2502 1 6 . 1 1 72 72 VAL CB C 72 37.425 37.425 33.991 3.434 18692 2503 1 6 . 1 1 72 72 VAL H H 72 9.280 9.280 8.251 1.029 18692 2504 1 6 . 1 1 73 73 ARG N N 73 125.839 125.839 126.592 -0.753 18692 2505 1 6 . 1 1 73 73 ARG HA H 73 5.458 5.458 5.252 0.206 18692 2506 1 6 . 1 1 73 73 ARG C C 73 177.981 177.981 176.217 1.764 18692 2507 1 6 . 1 1 73 73 ARG CA C 73 53.788 53.788 54.072 -0.284 18692 2508 1 6 . 1 1 73 73 ARG CB C 73 33.855 33.855 30.923 2.932 18692 2509 1 6 . 1 1 73 73 ARG H H 73 9.194 9.194 8.310 0.884 18692 2510 1 6 . 1 1 74 74 LYS N N 74 129.522 129.522 125.324 4.198 18692 2511 1 6 . 1 1 74 74 LYS HA H 74 4.323 4.323 4.117 0.206 18692 2512 1 6 . 1 1 74 74 LYS C C 74 178.340 178.340 176.692 1.648 18692 2513 1 6 . 1 1 74 74 LYS CA C 74 55.983 55.983 57.906 -1.923 18692 2514 1 6 . 1 1 74 74 LYS CB C 74 33.103 33.103 33.319 -0.216 18692 2515 1 6 . 1 1 74 74 LYS H H 74 10.930 10.930 8.435 2.495 18692 2516 1 6 . 1 1 75 75 LYS N N 75 131.817 131.817 119.709 12.108 18692 2517 1 6 . 1 1 75 75 LYS HA H 75 4.489 4.489 4.436 0.053 18692 2518 1 6 . 1 1 75 75 LYS CA C 75 55.927 55.927 56.738 -0.811 18692 2519 1 6 . 1 1 75 75 LYS CB C 75 29.730 29.730 33.365 -3.635 18692 2520 1 6 . 1 1 75 75 LYS H H 75 10.873 10.873 8.555 2.318 18692 2521 1 7 . 1 1 2 2 LYS N N 2 127.399 127.399 118.111 9.288 18692 2522 1 7 . 1 1 2 2 LYS HA H 2 3.954 3.954 3.958 -0.004 18692 2523 1 7 . 1 1 2 2 LYS C C 2 175.826 175.826 174.474 1.352 18692 2524 1 7 . 1 1 2 2 LYS CA C 2 57.475 57.475 57.758 -0.283 18692 2525 1 7 . 1 1 2 2 LYS CB C 2 34.009 34.009 30.810 3.199 18692 2526 1 7 . 1 1 2 2 LYS H H 2 9.167 9.167 8.522 0.645 18692 2527 1 7 . 1 1 3 3 ARG N N 3 121.207 121.207 116.481 4.726 18692 2528 1 7 . 1 1 3 3 ARG HA H 3 4.797 4.797 4.822 -0.025 18692 2529 1 7 . 1 1 3 3 ARG C C 3 176.719 176.719 174.575 2.144 18692 2530 1 7 . 1 1 3 3 ARG CA C 3 54.082 54.082 54.944 -0.862 18692 2531 1 7 . 1 1 3 3 ARG CB C 3 32.816 32.816 33.074 -0.258 18692 2532 1 7 . 1 1 3 3 ARG H H 3 7.705 7.705 7.666 0.039 18692 2533 1 7 . 1 1 4 4 PHE N N 4 124.380 124.380 121.127 3.253 18692 2534 1 7 . 1 1 4 4 PHE HA H 4 4.729 4.729 4.858 -0.129 18692 2535 1 7 . 1 1 4 4 PHE C C 4 176.180 176.180 173.916 2.264 18692 2536 1 7 . 1 1 4 4 PHE CA C 4 56.584 56.584 57.241 -0.657 18692 2537 1 7 . 1 1 4 4 PHE CB C 4 41.758 41.758 42.842 -1.083 18692 2538 1 7 . 1 1 4 4 PHE H H 4 8.913 8.913 9.552 -0.639 18692 2539 1 7 . 1 1 5 5 ASP N N 5 123.331 123.331 127.780 -4.449 18692 2540 1 7 . 1 1 5 5 ASP HA H 5 4.390 4.390 4.849 -0.459 18692 2541 1 7 . 1 1 5 5 ASP C C 5 177.524 177.524 175.579 1.945 18692 2542 1 7 . 1 1 5 5 ASP CA C 5 53.344 53.344 54.358 -1.014 18692 2543 1 7 . 1 1 5 5 ASP CB C 5 41.043 41.043 41.099 -0.056 18692 2544 1 7 . 1 1 5 5 ASP H H 5 9.113 9.113 8.590 0.523 18692 2545 1 7 . 1 1 6 6 LEU N N 6 122.540 122.540 125.661 -3.121 18692 2546 1 7 . 1 1 6 6 LEU HA H 6 4.304 4.304 4.619 -0.315 18692 2547 1 7 . 1 1 6 6 LEU CA C 6 55.260 55.260 54.426 0.834 18692 2548 1 7 . 1 1 6 6 LEU CB C 6 42.680 42.680 42.416 0.264 18692 2549 1 7 . 1 1 6 6 LEU H H 6 8.305 8.305 8.169 0.136 18692 2550 1 7 . 1 1 7 7 ARG N N 7 121.715 121.715 122.299 -0.584 18692 2551 1 7 . 1 1 7 7 ARG HA H 7 4.156 4.156 4.125 0.031 18692 2552 1 7 . 1 1 7 7 ARG C C 7 177.664 177.664 175.647 2.017 18692 2553 1 7 . 1 1 7 7 ARG CA C 7 56.463 56.463 59.951 -3.488 18692 2554 1 7 . 1 1 7 7 ARG CB C 7 29.315 29.315 28.656 0.659 18692 2555 1 7 . 1 1 7 7 ARG H H 7 8.293 8.293 8.404 -0.111 18692 2556 1 7 . 1 1 8 8 PRO HA H 8 4.365 4.365 4.344 0.021 18692 2557 1 7 . 1 1 8 8 PRO C C 8 178.886 178.886 176.486 2.400 18692 2558 1 7 . 1 1 8 8 PRO CA C 8 65.193 65.193 63.337 1.855 18692 2559 1 7 . 1 1 8 8 PRO CB C 8 31.566 31.566 31.683 -0.117 18692 2560 1 7 . 1 1 9 9 LEU N N 9 114.107 114.107 121.652 -7.545 18692 2561 1 7 . 1 1 9 9 LEU HA H 9 4.175 4.175 4.334 -0.159 18692 2562 1 7 . 1 1 9 9 LEU C C 9 178.897 178.897 176.097 2.800 18692 2563 1 7 . 1 1 9 9 LEU CA C 9 54.878 54.878 54.858 0.020 18692 2564 1 7 . 1 1 9 9 LEU CB C 9 41.222 41.222 43.755 -2.533 18692 2565 1 7 . 1 1 9 9 LEU H H 9 7.310 7.310 7.392 -0.082 18692 2566 1 7 . 1 1 10 10 LYS N N 10 116.563 116.563 122.128 -5.565 18692 2567 1 7 . 1 1 10 10 LYS HA H 10 3.823 3.823 4.287 -0.464 18692 2568 1 7 . 1 1 10 10 LYS C C 10 178.805 178.805 175.818 2.987 18692 2569 1 7 . 1 1 10 10 LYS CA C 10 57.693 57.693 55.215 2.478 18692 2570 1 7 . 1 1 10 10 LYS CB C 10 34.124 34.124 33.595 0.529 18692 2571 1 7 . 1 1 10 10 LYS H H 10 8.132 8.132 8.146 -0.014 18692 2572 1 7 . 1 1 11 11 ALA N N 11 124.134 124.134 123.167 0.967 18692 2573 1 7 . 1 1 11 11 ALA HA H 11 4.399 4.399 3.862 0.537 18692 2574 1 7 . 1 1 11 11 ALA C C 11 178.877 178.877 177.977 0.900 18692 2575 1 7 . 1 1 11 11 ALA CA C 11 53.292 53.292 52.998 0.294 18692 2576 1 7 . 1 1 11 11 ALA CB C 11 19.310 19.310 18.574 0.736 18692 2577 1 7 . 1 1 11 11 ALA H H 11 8.239 8.239 8.329 -0.090 18692 2578 1 7 . 1 1 12 12 GLY N N 12 108.661 108.661 110.831 -2.170 18692 2579 1 7 . 1 1 12 12 GLY C C 12 178.614 178.614 175.393 3.221 18692 2580 1 7 . 1 1 12 12 GLY CA C 12 47.640 47.640 45.795 1.845 18692 2581 1 7 . 1 1 12 12 GLY H H 12 8.186 8.186 9.029 -0.843 18692 2582 1 7 . 1 1 13 13 ILE N N 13 123.465 123.465 124.172 -0.707 18692 2583 1 7 . 1 1 13 13 ILE HA H 13 4.150 4.150 4.239 -0.089 18692 2584 1 7 . 1 1 13 13 ILE C C 13 177.234 177.234 176.687 0.547 18692 2585 1 7 . 1 1 13 13 ILE CA C 13 60.500 60.500 62.858 -2.358 18692 2586 1 7 . 1 1 13 13 ILE CB C 13 36.970 36.970 38.571 -1.601 18692 2587 1 7 . 1 1 13 13 ILE H H 13 8.309 8.309 7.335 0.975 18692 2588 1 7 . 1 1 14 14 PHE N N 14 119.560 119.560 120.386 -0.826 18692 2589 1 7 . 1 1 14 14 PHE HA H 14 3.354 3.354 4.143 -0.788 18692 2590 1 7 . 1 1 14 14 PHE C C 14 179.301 179.301 176.437 2.864 18692 2591 1 7 . 1 1 14 14 PHE CA C 14 63.883 63.883 60.566 3.317 18692 2592 1 7 . 1 1 14 14 PHE CB C 14 37.608 37.608 38.019 -0.411 18692 2593 1 7 . 1 1 14 14 PHE H H 14 7.801 7.801 7.950 -0.149 18692 2594 1 7 . 1 1 15 15 GLU N N 15 121.567 121.567 119.641 1.926 18692 2595 1 7 . 1 1 15 15 GLU HA H 15 4.260 4.260 3.524 0.736 18692 2596 1 7 . 1 1 15 15 GLU C C 15 181.428 181.428 177.100 4.328 18692 2597 1 7 . 1 1 15 15 GLU CA C 15 60.579 60.579 57.669 2.910 18692 2598 1 7 . 1 1 15 15 GLU CB C 15 28.158 28.158 29.025 -0.867 18692 2599 1 7 . 1 1 15 15 GLU H H 15 8.331 8.331 8.270 0.061 18692 2600 1 7 . 1 1 16 16 ARG N N 16 121.602 121.602 119.430 2.172 18692 2601 1 7 . 1 1 16 16 ARG HA H 16 4.104 4.104 3.797 0.307 18692 2602 1 7 . 1 1 16 16 ARG C C 16 179.418 179.418 179.058 0.360 18692 2603 1 7 . 1 1 16 16 ARG CA C 16 56.877 56.877 58.504 -1.627 18692 2604 1 7 . 1 1 16 16 ARG CB C 16 29.397 29.397 30.110 -0.713 18692 2605 1 7 . 1 1 16 16 ARG H H 16 8.240 8.240 7.128 1.112 18692 2606 1 7 . 1 1 17 17 LEU N N 17 119.769 119.769 119.824 -0.055 18692 2607 1 7 . 1 1 17 17 LEU HA H 17 3.619 3.619 4.083 -0.464 18692 2608 1 7 . 1 1 17 17 LEU C C 17 179.136 179.136 177.858 1.278 18692 2609 1 7 . 1 1 17 17 LEU CA C 17 59.104 59.104 56.636 2.468 18692 2610 1 7 . 1 1 17 17 LEU CB C 17 42.770 42.770 41.358 1.412 18692 2611 1 7 . 1 1 17 17 LEU H H 17 8.134 8.134 8.535 -0.401 18692 2612 1 7 . 1 1 18 18 GLU N N 18 115.547 115.547 118.147 -2.600 18692 2613 1 7 . 1 1 18 18 GLU HA H 18 3.889 3.889 3.346 0.543 18692 2614 1 7 . 1 1 18 18 GLU C C 18 179.643 179.643 178.176 1.467 18692 2615 1 7 . 1 1 18 18 GLU CA C 18 59.929 59.929 59.486 0.443 18692 2616 1 7 . 1 1 18 18 GLU CB C 18 29.170 29.170 28.842 0.328 18692 2617 1 7 . 1 1 18 18 GLU H H 18 7.674 7.674 7.851 -0.177 18692 2618 1 7 . 1 1 19 19 GLU N N 19 119.211 119.211 118.576 0.635 18692 2619 1 7 . 1 1 19 19 GLU HA H 19 4.047 4.047 4.046 0.001 18692 2620 1 7 . 1 1 19 19 GLU C C 19 180.374 180.374 178.021 2.353 18692 2621 1 7 . 1 1 19 19 GLU CA C 19 59.441 59.441 57.867 1.574 18692 2622 1 7 . 1 1 19 19 GLU CB C 19 30.269 30.269 29.552 0.717 18692 2623 1 7 . 1 1 19 19 GLU H H 19 7.782 7.782 7.347 0.435 18692 2624 1 7 . 1 1 20 20 LEU N N 20 119.264 119.264 120.479 -1.215 18692 2625 1 7 . 1 1 20 20 LEU HA H 20 3.761 3.761 3.954 -0.193 18692 2626 1 7 . 1 1 20 20 LEU C C 20 181.666 181.666 178.796 2.870 18692 2627 1 7 . 1 1 20 20 LEU CA C 20 57.862 57.862 57.755 0.107 18692 2628 1 7 . 1 1 20 20 LEU CB C 20 42.111 42.111 42.078 0.034 18692 2629 1 7 . 1 1 20 20 LEU H H 20 8.507 8.507 7.454 1.053 18692 2630 1 7 . 1 1 21 21 ILE N N 21 117.879 117.879 118.310 -0.431 18692 2631 1 7 . 1 1 21 21 ILE HA H 21 3.697 3.697 3.765 -0.068 18692 2632 1 7 . 1 1 21 21 ILE C C 21 181.696 181.696 176.742 4.954 18692 2633 1 7 . 1 1 21 21 ILE CA C 21 65.174 65.174 61.863 3.311 18692 2634 1 7 . 1 1 21 21 ILE CB C 21 38.420 38.420 37.910 0.509 18692 2635 1 7 . 1 1 21 21 ILE H H 21 7.750 7.750 7.086 0.664 18692 2636 1 7 . 1 1 22 22 GLU N N 22 116.656 116.656 119.702 -3.046 18692 2637 1 7 . 1 1 22 22 GLU HA H 22 3.891 3.891 3.963 -0.072 18692 2638 1 7 . 1 1 22 22 GLU C C 22 180.424 180.424 177.845 2.579 18692 2639 1 7 . 1 1 22 22 GLU CA C 22 59.864 59.864 59.405 0.459 18692 2640 1 7 . 1 1 22 22 GLU CB C 22 30.047 30.047 29.341 0.706 18692 2641 1 7 . 1 1 22 22 GLU H H 22 8.203 8.203 7.435 0.768 18692 2642 1 7 . 1 1 23 23 LYS N N 23 113.426 113.426 116.331 -2.905 18692 2643 1 7 . 1 1 23 23 LYS HA H 23 4.392 4.392 4.152 0.240 18692 2644 1 7 . 1 1 23 23 LYS C C 23 180.639 180.639 177.688 2.951 18692 2645 1 7 . 1 1 23 23 LYS CA C 23 57.952 57.952 57.955 -0.003 18692 2646 1 7 . 1 1 23 23 LYS CB C 23 34.655 34.655 32.496 2.159 18692 2647 1 7 . 1 1 23 23 LYS H H 23 8.713 8.713 7.435 1.278 18692 2648 1 7 . 1 1 24 24 GLU N N 24 115.943 115.943 117.603 -1.660 18692 2649 1 7 . 1 1 24 24 GLU HA H 24 4.730 4.730 4.216 0.514 18692 2650 1 7 . 1 1 24 24 GLU C C 24 177.407 177.407 177.432 -0.025 18692 2651 1 7 . 1 1 24 24 GLU CA C 24 56.241 56.241 57.058 -0.817 18692 2652 1 7 . 1 1 24 24 GLU CB C 24 30.664 30.664 30.583 0.081 18692 2653 1 7 . 1 1 24 24 GLU H H 24 8.225 8.225 7.632 0.593 18692 2654 1 7 . 1 1 25 25 MET N N 25 115.075 115.075 118.820 -3.745 18692 2655 1 7 . 1 1 25 25 MET HA H 25 4.832 4.832 4.349 0.483 18692 2656 1 7 . 1 1 25 25 MET C C 25 177.286 177.286 175.759 1.527 18692 2657 1 7 . 1 1 25 25 MET CA C 25 55.022 55.022 56.179 -1.157 18692 2658 1 7 . 1 1 25 25 MET CB C 25 37.416 37.416 33.139 4.277 18692 2659 1 7 . 1 1 25 25 MET H H 25 6.860 6.860 7.637 -0.777 18692 2660 1 7 . 1 1 26 26 GLN N N 26 122.801 122.801 120.030 2.771 18692 2661 1 7 . 1 1 26 26 GLN HA H 26 4.345 4.345 4.354 -0.009 18692 2662 1 7 . 1 1 26 26 GLN C C 26 175.718 175.718 175.651 0.067 18692 2663 1 7 . 1 1 26 26 GLN CA C 26 52.909 52.909 56.607 -3.698 18692 2664 1 7 . 1 1 26 26 GLN CB C 26 28.417 28.417 29.012 -0.595 18692 2665 1 7 . 1 1 26 26 GLN H H 26 9.264 9.264 8.387 0.877 18692 2666 1 7 . 1 1 27 27 PRO HA H 27 3.915 3.915 4.337 -0.422 18692 2667 1 7 . 1 1 27 27 PRO C C 27 177.450 177.450 176.082 1.368 18692 2668 1 7 . 1 1 27 27 PRO CA C 27 64.908 64.908 64.773 0.135 18692 2669 1 7 . 1 1 27 27 PRO CB C 27 31.265 31.265 32.189 -0.924 18692 2670 1 7 . 1 1 28 28 ASN N N 28 118.995 118.995 113.425 5.570 18692 2671 1 7 . 1 1 28 28 ASN HA H 28 4.475 4.475 5.098 -0.623 18692 2672 1 7 . 1 1 28 28 ASN C C 28 179.421 179.421 174.234 5.187 18692 2673 1 7 . 1 1 28 28 ASN CA C 28 55.368 55.368 52.455 2.913 18692 2674 1 7 . 1 1 28 28 ASN CB C 28 38.967 38.967 40.138 -1.171 18692 2675 1 7 . 1 1 28 28 ASN H H 28 8.458 8.458 8.103 0.355 18692 2676 1 7 . 1 1 29 29 GLU N N 29 123.128 123.128 119.616 3.512 18692 2677 1 7 . 1 1 29 29 GLU HA H 29 4.291 4.291 4.591 -0.300 18692 2678 1 7 . 1 1 29 29 GLU C C 29 175.883 175.883 174.505 1.378 18692 2679 1 7 . 1 1 29 29 GLU CA C 29 56.876 56.876 54.536 2.340 18692 2680 1 7 . 1 1 29 29 GLU CB C 29 31.863 31.863 33.927 -2.064 18692 2681 1 7 . 1 1 29 29 GLU H H 29 8.294 8.294 7.673 0.621 18692 2682 1 7 . 1 1 30 30 VAL N N 30 123.635 123.635 119.935 3.700 18692 2683 1 7 . 1 1 30 30 VAL HA H 30 5.293 5.293 4.765 0.528 18692 2684 1 7 . 1 1 30 30 VAL C C 30 177.201 177.201 175.067 2.134 18692 2685 1 7 . 1 1 30 30 VAL CA C 30 60.562 60.562 60.974 -0.412 18692 2686 1 7 . 1 1 30 30 VAL CB C 30 33.419 33.419 34.251 -0.832 18692 2687 1 7 . 1 1 30 30 VAL H H 30 8.067 8.067 8.509 -0.442 18692 2688 1 7 . 1 1 31 31 ALA N N 31 127.391 127.391 129.882 -2.491 18692 2689 1 7 . 1 1 31 31 ALA HA H 31 4.919 4.919 5.055 -0.136 18692 2690 1 7 . 1 1 31 31 ALA C C 31 176.179 176.179 175.971 0.208 18692 2691 1 7 . 1 1 31 31 ALA CA C 31 51.470 51.470 49.984 1.486 18692 2692 1 7 . 1 1 31 31 ALA CB C 31 24.772 24.772 21.843 2.929 18692 2693 1 7 . 1 1 31 31 ALA H H 31 9.086 9.086 8.404 0.682 18692 2694 1 7 . 1 1 32 32 ILE N N 32 118.468 118.468 125.482 -7.014 18692 2695 1 7 . 1 1 32 32 ILE HA H 32 5.102 5.102 4.486 0.616 18692 2696 1 7 . 1 1 32 32 ILE C C 32 176.300 176.300 174.685 1.615 18692 2697 1 7 . 1 1 32 32 ILE CA C 32 59.604 59.604 60.500 -0.896 18692 2698 1 7 . 1 1 32 32 ILE CB C 32 41.416 41.416 38.985 2.431 18692 2699 1 7 . 1 1 32 32 ILE H H 32 8.175 8.175 8.095 0.080 18692 2700 1 7 . 1 1 33 33 PHE N N 33 123.926 123.926 127.370 -3.444 18692 2701 1 7 . 1 1 33 33 PHE HA H 33 5.407 5.407 5.574 -0.167 18692 2702 1 7 . 1 1 33 33 PHE C C 33 176.695 176.695 175.829 0.866 18692 2703 1 7 . 1 1 33 33 PHE CA C 33 56.627 56.627 55.119 1.508 18692 2704 1 7 . 1 1 33 33 PHE CB C 33 41.583 41.583 40.089 1.494 18692 2705 1 7 . 1 1 33 33 PHE H H 33 9.277 9.277 8.817 0.460 18692 2706 1 7 . 1 1 34 34 MET N N 34 120.519 120.519 125.083 -4.564 18692 2707 1 7 . 1 1 34 34 MET HA H 34 5.517 5.517 5.435 0.082 18692 2708 1 7 . 1 1 34 34 MET C C 34 177.123 177.123 174.985 2.138 18692 2709 1 7 . 1 1 34 34 MET CA C 34 53.515 53.515 55.251 -1.736 18692 2710 1 7 . 1 1 34 34 MET CB C 34 36.447 36.447 34.917 1.530 18692 2711 1 7 . 1 1 34 34 MET H H 34 8.606 8.606 8.763 -0.157 18692 2712 1 7 . 1 1 35 35 PHE N N 35 118.119 118.119 121.709 -3.590 18692 2713 1 7 . 1 1 35 35 PHE HA H 35 4.642 4.642 5.252 -0.610 18692 2714 1 7 . 1 1 35 35 PHE C C 35 175.188 175.188 174.218 0.970 18692 2715 1 7 . 1 1 35 35 PHE CA C 35 56.100 56.100 55.666 0.434 18692 2716 1 7 . 1 1 35 35 PHE CB C 35 41.450 41.450 40.772 0.678 18692 2717 1 7 . 1 1 35 35 PHE H H 35 8.832 8.832 8.746 0.086 18692 2718 1 7 . 1 1 36 36 GLU N N 36 120.598 120.598 123.577 -2.979 18692 2719 1 7 . 1 1 36 36 GLU HA H 36 4.890 4.890 4.432 0.458 18692 2720 1 7 . 1 1 36 36 GLU C C 36 179.258 179.258 175.377 3.881 18692 2721 1 7 . 1 1 36 36 GLU CA C 36 57.184 57.184 55.564 1.620 18692 2722 1 7 . 1 1 36 36 GLU CB C 36 30.844 30.844 30.190 0.654 18692 2723 1 7 . 1 1 36 36 GLU H H 36 9.421 9.421 8.898 0.523 18692 2724 1 7 . 1 1 37 37 VAL N N 37 122.817 122.817 120.141 2.676 18692 2725 1 7 . 1 1 37 37 VAL HA H 37 4.230 4.230 4.174 0.056 18692 2726 1 7 . 1 1 37 37 VAL C C 37 176.550 176.550 176.693 -0.143 18692 2727 1 7 . 1 1 37 37 VAL CA C 37 65.923 65.923 62.102 3.821 18692 2728 1 7 . 1 1 37 37 VAL H H 37 9.005 9.005 7.592 1.413 18692 2729 1 7 . 1 1 38 38 GLY N N 38 109.660 109.660 110.334 -0.674 18692 2730 1 7 . 1 1 38 38 GLY C C 38 173.860 173.860 173.706 0.154 18692 2731 1 7 . 1 1 38 38 GLY CA C 38 44.560 44.560 45.583 -1.023 18692 2732 1 7 . 1 1 38 38 GLY H H 38 8.440 8.440 8.520 -0.080 18692 2733 1 7 . 1 1 39 39 ASP N N 39 119.440 119.440 121.533 -2.093 18692 2734 1 7 . 1 1 39 39 ASP HA H 39 4.910 4.910 4.236 0.674 18692 2735 1 7 . 1 1 39 39 ASP C C 39 177.550 177.550 175.186 2.364 18692 2736 1 7 . 1 1 39 39 ASP CA C 39 54.420 54.420 53.968 0.452 18692 2737 1 7 . 1 1 39 39 ASP CB C 39 37.150 37.150 39.153 -2.003 18692 2738 1 7 . 1 1 39 39 ASP H H 39 8.330 8.330 8.138 0.192 18692 2739 1 7 . 1 1 40 40 PHE N N 40 123.361 123.361 119.977 3.384 18692 2740 1 7 . 1 1 40 40 PHE HA H 40 4.620 4.620 4.472 0.148 18692 2741 1 7 . 1 1 40 40 PHE CA C 40 56.250 56.250 57.836 -1.586 18692 2742 1 7 . 1 1 40 40 PHE CB C 40 36.150 36.150 38.790 -2.640 18692 2743 1 7 . 1 1 40 40 PHE H H 40 7.949 7.949 6.546 1.403 18692 2744 1 7 . 1 1 41 41 SER N N 41 121.483 121.483 116.995 4.488 18692 2745 1 7 . 1 1 41 41 SER HA H 41 4.492 4.492 4.188 0.304 18692 2746 1 7 . 1 1 41 41 SER C C 41 174.554 174.554 175.707 -1.153 18692 2747 1 7 . 1 1 41 41 SER CA C 41 59.660 59.660 60.427 -0.767 18692 2748 1 7 . 1 1 41 41 SER CB C 41 63.220 63.220 62.952 0.268 18692 2749 1 7 . 1 1 41 41 SER H H 41 8.519 8.519 8.420 0.099 18692 2750 1 7 . 1 1 42 42 ASN N N 42 118.920 118.920 118.840 0.080 18692 2751 1 7 . 1 1 42 42 ASN HA H 42 4.910 4.910 4.682 0.228 18692 2752 1 7 . 1 1 42 42 ASN CA C 42 53.490 53.490 54.895 -1.405 18692 2753 1 7 . 1 1 42 42 ASN CB C 42 38.120 38.120 38.436 -0.316 18692 2754 1 7 . 1 1 42 42 ASN H H 42 8.330 8.330 8.204 0.126 18692 2755 1 7 . 1 1 43 43 ILE N N 43 121.540 121.540 121.155 0.385 18692 2756 1 7 . 1 1 43 43 ILE HA H 43 4.180 4.180 3.814 0.366 18692 2757 1 7 . 1 1 43 43 ILE CA C 43 60.110 60.110 66.081 -5.971 18692 2758 1 7 . 1 1 43 43 ILE CB C 43 38.440 38.440 35.167 3.272 18692 2759 1 7 . 1 1 43 43 ILE H H 43 8.293 8.293 7.151 1.142 18692 2760 1 7 . 1 1 44 44 PRO HA H 44 4.461 4.461 4.336 0.125 18692 2761 1 7 . 1 1 44 44 PRO C C 44 176.465 176.465 178.383 -1.918 18692 2762 1 7 . 1 1 44 44 PRO CA C 44 65.358 65.358 64.902 0.456 18692 2763 1 7 . 1 1 44 44 PRO CB C 44 30.441 30.441 30.987 -0.546 18692 2764 1 7 . 1 1 45 45 LYS N N 45 116.236 116.236 119.148 -2.912 18692 2765 1 7 . 1 1 45 45 LYS HA H 45 4.128 4.128 4.153 -0.025 18692 2766 1 7 . 1 1 45 45 LYS C C 45 181.467 181.467 178.520 2.947 18692 2767 1 7 . 1 1 45 45 LYS CA C 45 59.712 59.712 58.713 0.999 18692 2768 1 7 . 1 1 45 45 LYS CB C 45 33.281 33.281 32.550 0.731 18692 2769 1 7 . 1 1 45 45 LYS H H 45 7.270 7.270 7.937 -0.667 18692 2770 1 7 . 1 1 46 46 SER N N 46 116.059 116.059 115.967 0.092 18692 2771 1 7 . 1 1 46 46 SER HA H 46 4.080 4.080 4.254 -0.174 18692 2772 1 7 . 1 1 46 46 SER C C 46 177.432 177.432 176.846 0.586 18692 2773 1 7 . 1 1 46 46 SER CA C 46 63.202 63.202 61.115 2.087 18692 2774 1 7 . 1 1 46 46 SER CB C 46 62.118 62.118 62.896 -0.778 18692 2775 1 7 . 1 1 46 46 SER H H 46 8.293 8.293 7.645 0.648 18692 2776 1 7 . 1 1 47 47 ALA N N 47 126.579 126.579 124.225 2.354 18692 2777 1 7 . 1 1 47 47 ALA HA H 47 4.128 4.128 4.049 0.079 18692 2778 1 7 . 1 1 47 47 ALA C C 47 181.528 181.528 178.104 3.424 18692 2779 1 7 . 1 1 47 47 ALA CA C 47 55.704 55.704 54.586 1.118 18692 2780 1 7 . 1 1 47 47 ALA CB C 47 18.326 18.326 18.225 0.101 18692 2781 1 7 . 1 1 47 47 ALA H H 47 6.990 6.990 7.723 -0.733 18692 2782 1 7 . 1 1 48 48 GLU N N 48 117.980 117.980 117.125 0.855 18692 2783 1 7 . 1 1 48 48 GLU HA H 48 4.062 4.062 3.193 0.869 18692 2784 1 7 . 1 1 48 48 GLU C C 48 180.822 180.822 177.297 3.525 18692 2785 1 7 . 1 1 48 48 GLU CA C 48 59.100 59.100 57.316 1.784 18692 2786 1 7 . 1 1 48 48 GLU CB C 48 29.770 29.770 29.498 0.272 18692 2787 1 7 . 1 1 48 48 GLU H H 48 7.863 7.863 7.503 0.360 18692 2788 1 7 . 1 1 49 49 PHE N N 49 122.179 122.179 117.824 4.355 18692 2789 1 7 . 1 1 49 49 PHE HA H 49 4.117 4.117 4.173 -0.056 18692 2790 1 7 . 1 1 49 49 PHE C C 49 179.580 179.580 177.008 2.572 18692 2791 1 7 . 1 1 49 49 PHE CA C 49 57.813 57.813 60.589 -2.776 18692 2792 1 7 . 1 1 49 49 PHE CB C 49 41.695 41.695 39.174 2.521 18692 2793 1 7 . 1 1 49 49 PHE H H 49 8.341 8.341 7.755 0.586 18692 2794 1 7 . 1 1 50 50 ILE N N 50 117.469 117.469 115.296 2.173 18692 2795 1 7 . 1 1 50 50 ILE HA H 50 3.533 3.533 3.897 -0.364 18692 2796 1 7 . 1 1 50 50 ILE C C 50 179.698 179.698 176.253 3.445 18692 2797 1 7 . 1 1 50 50 ILE CA C 50 62.884 62.884 62.651 0.233 18692 2798 1 7 . 1 1 50 50 ILE CB C 50 36.669 36.669 37.782 -1.113 18692 2799 1 7 . 1 1 50 50 ILE H H 50 8.322 8.322 7.326 0.996 18692 2800 1 7 . 1 1 51 51 GLN N N 51 117.190 117.190 114.659 2.531 18692 2801 1 7 . 1 1 51 51 GLN HA H 51 4.261 4.261 4.500 -0.239 18692 2802 1 7 . 1 1 51 51 GLN C C 51 182.627 182.627 174.819 7.808 18692 2803 1 7 . 1 1 51 51 GLN CA C 51 58.862 58.862 55.435 3.427 18692 2804 1 7 . 1 1 51 51 GLN CB C 51 28.451 28.451 31.796 -3.345 18692 2805 1 7 . 1 1 51 51 GLN H H 51 7.887 7.887 7.388 0.499 18692 2806 1 7 . 1 1 52 52 SER N N 52 117.670 117.670 118.379 -0.709 18692 2807 1 7 . 1 1 52 52 SER HA H 52 4.137 4.137 4.261 -0.124 18692 2808 1 7 . 1 1 52 52 SER CA C 52 61.401 61.401 60.706 0.695 18692 2809 1 7 . 1 1 52 52 SER CB C 52 62.615 62.615 63.480 -0.865 18692 2810 1 7 . 1 1 52 52 SER H H 52 8.556 8.556 8.519 0.037 18692 2811 1 7 . 1 1 53 53 LYS N N 53 119.008 119.008 118.936 0.072 18692 2812 1 7 . 1 1 53 53 LYS HA H 53 4.170 4.170 4.486 -0.316 18692 2813 1 7 . 1 1 53 53 LYS C C 53 177.911 177.911 175.580 2.331 18692 2814 1 7 . 1 1 53 53 LYS CA C 53 54.662 54.662 56.054 -1.392 18692 2815 1 7 . 1 1 53 53 LYS CB C 53 32.652 32.652 33.238 -0.586 18692 2816 1 7 . 1 1 53 53 LYS H H 53 7.064 7.064 7.481 -0.417 18692 2817 1 7 . 1 1 54 54 GLY N N 54 105.188 105.188 112.073 -6.885 18692 2818 1 7 . 1 1 54 54 GLY C C 54 175.528 175.528 173.944 1.584 18692 2819 1 7 . 1 1 54 54 GLY CA C 54 45.118 45.118 45.536 -0.418 18692 2820 1 7 . 1 1 54 54 GLY H H 54 7.548 7.548 8.841 -1.293 18692 2821 1 7 . 1 1 55 55 HIS N N 55 118.294 118.294 119.591 -1.297 18692 2822 1 7 . 1 1 55 55 HIS HA H 55 4.947 4.947 5.088 -0.141 18692 2823 1 7 . 1 1 55 55 HIS C C 55 175.240 175.240 173.714 1.526 18692 2824 1 7 . 1 1 55 55 HIS CA C 55 54.847 54.847 53.834 1.013 18692 2825 1 7 . 1 1 55 55 HIS CB C 55 31.315 31.315 30.450 0.865 18692 2826 1 7 . 1 1 55 55 HIS H H 55 6.998 6.998 8.069 -1.071 18692 2827 1 7 . 1 1 56 56 GLU N N 56 118.205 118.205 125.418 -7.213 18692 2828 1 7 . 1 1 56 56 GLU HA H 56 4.666 4.666 4.473 0.193 18692 2829 1 7 . 1 1 56 56 GLU C C 56 176.766 176.766 175.044 1.722 18692 2830 1 7 . 1 1 56 56 GLU CA C 56 55.162 55.162 54.904 0.258 18692 2831 1 7 . 1 1 56 56 GLU CB C 56 33.110 33.110 32.265 0.845 18692 2832 1 7 . 1 1 56 56 GLU H H 56 8.509 8.509 8.131 0.378 18692 2833 1 7 . 1 1 57 57 LEU N N 57 127.769 127.769 127.419 0.350 18692 2834 1 7 . 1 1 57 57 LEU HA H 57 4.786 4.786 4.650 0.136 18692 2835 1 7 . 1 1 57 57 LEU C C 57 177.854 177.854 177.788 0.066 18692 2836 1 7 . 1 1 57 57 LEU CA C 57 53.780 53.780 54.041 -0.261 18692 2837 1 7 . 1 1 57 57 LEU CB C 57 42.676 42.676 40.444 2.232 18692 2838 1 7 . 1 1 57 57 LEU H H 57 8.978 8.978 8.799 0.179 18692 2839 1 7 . 1 1 58 58 LEU N N 58 128.364 128.364 125.013 3.351 18692 2840 1 7 . 1 1 58 58 LEU HA H 58 4.402 4.402 4.013 0.389 18692 2841 1 7 . 1 1 58 58 LEU C C 58 179.469 179.469 177.241 2.228 18692 2842 1 7 . 1 1 58 58 LEU CA C 58 56.534 56.534 57.572 -1.038 18692 2843 1 7 . 1 1 58 58 LEU CB C 58 42.371 42.371 42.612 -0.242 18692 2844 1 7 . 1 1 58 58 LEU H H 58 9.128 9.128 8.269 0.859 18692 2845 1 7 . 1 1 59 59 ASN N N 59 113.622 113.622 115.052 -1.430 18692 2846 1 7 . 1 1 59 59 ASN HA H 59 4.918 4.918 4.901 0.017 18692 2847 1 7 . 1 1 59 59 ASN C C 59 175.560 175.560 173.972 1.588 18692 2848 1 7 . 1 1 59 59 ASN CA C 59 52.389 52.389 52.200 0.189 18692 2849 1 7 . 1 1 59 59 ASN CB C 59 41.887 41.887 40.242 1.645 18692 2850 1 7 . 1 1 59 59 ASN H H 59 7.574 7.574 7.948 -0.374 18692 2851 1 7 . 1 1 60 60 SER N N 60 118.134 118.134 120.160 -2.026 18692 2852 1 7 . 1 1 60 60 SER HA H 60 4.045 4.045 4.310 -0.265 18692 2853 1 7 . 1 1 60 60 SER CA C 60 56.925 56.925 58.286 -1.361 18692 2854 1 7 . 1 1 60 60 SER CB C 60 63.649 63.649 64.055 -0.406 18692 2855 1 7 . 1 1 60 60 SER H H 60 8.436 8.436 8.476 -0.040 18692 2856 1 7 . 1 1 61 61 LEU N N 61 128.266 128.266 121.682 6.584 18692 2857 1 7 . 1 1 61 61 LEU HA H 61 4.219 4.219 4.535 -0.316 18692 2858 1 7 . 1 1 61 61 LEU CA C 61 55.106 55.106 55.714 -0.608 18692 2859 1 7 . 1 1 61 61 LEU CB C 61 44.577 44.577 42.377 2.200 18692 2860 1 7 . 1 1 61 61 LEU H H 61 8.725 8.725 8.253 0.472 18692 2861 1 7 . 1 1 62 62 ARG N N 62 122.383 122.383 125.403 -3.020 18692 2862 1 7 . 1 1 62 62 ARG HA H 62 4.312 4.312 4.271 0.041 18692 2863 1 7 . 1 1 62 62 ARG C C 62 176.560 176.560 176.127 0.433 18692 2864 1 7 . 1 1 62 62 ARG CA C 62 57.290 57.290 54.327 2.963 18692 2865 1 7 . 1 1 62 62 ARG CB C 62 30.828 30.828 27.793 3.035 18692 2866 1 7 . 1 1 62 62 ARG H H 62 7.303 7.303 9.234 -1.931 18692 2867 1 7 . 1 1 63 63 PHE N N 63 120.560 120.560 119.934 0.626 18692 2868 1 7 . 1 1 63 63 PHE HA H 63 4.613 4.613 4.445 0.168 18692 2869 1 7 . 1 1 63 63 PHE CA C 63 61.377 61.377 58.756 2.621 18692 2870 1 7 . 1 1 63 63 PHE CB C 63 39.908 39.908 38.182 1.726 18692 2871 1 7 . 1 1 63 63 PHE H H 63 8.321 8.321 8.083 0.238 18692 2872 1 7 . 1 1 64 64 ASN N N 64 117.616 117.616 116.363 1.253 18692 2873 1 7 . 1 1 64 64 ASN HA H 64 4.377 4.377 3.725 0.652 18692 2874 1 7 . 1 1 64 64 ASN C C 64 176.642 176.642 175.422 1.220 18692 2875 1 7 . 1 1 64 64 ASN CA C 64 53.465 53.465 54.561 -1.096 18692 2876 1 7 . 1 1 64 64 ASN CB C 64 37.450 37.450 37.888 -0.438 18692 2877 1 7 . 1 1 64 64 ASN H H 64 8.101 8.101 7.740 0.361 18692 2878 1 7 . 1 1 65 65 GLN N N 65 115.548 115.548 117.616 -2.068 18692 2879 1 7 . 1 1 65 65 GLN HA H 65 4.275 4.275 4.363 -0.088 18692 2880 1 7 . 1 1 65 65 GLN C C 65 178.411 178.411 174.902 3.509 18692 2881 1 7 . 1 1 65 65 GLN CA C 65 59.127 59.127 54.431 4.696 18692 2882 1 7 . 1 1 65 65 GLN CB C 65 28.650 28.650 31.413 -2.764 18692 2883 1 7 . 1 1 65 65 GLN H H 65 8.330 8.330 7.419 0.911 18692 2884 1 7 . 1 1 66 66 ALA N N 66 120.802 120.802 122.445 -1.643 18692 2885 1 7 . 1 1 66 66 ALA HA H 66 4.652 4.652 4.246 0.406 18692 2886 1 7 . 1 1 66 66 ALA C C 66 178.893 178.893 176.993 1.900 18692 2887 1 7 . 1 1 66 66 ALA CA C 66 52.751 52.751 52.321 0.430 18692 2888 1 7 . 1 1 66 66 ALA CB C 66 21.705 21.705 19.314 2.392 18692 2889 1 7 . 1 1 66 66 ALA H H 66 8.346 8.346 8.355 -0.009 18692 2890 1 7 . 1 1 67 67 ASP N N 67 118.909 118.909 118.877 0.032 18692 2891 1 7 . 1 1 67 67 ASP HA H 67 4.612 4.612 4.381 0.231 18692 2892 1 7 . 1 1 67 67 ASP C C 67 175.639 175.639 175.490 0.149 18692 2893 1 7 . 1 1 67 67 ASP CA C 67 54.726 54.726 54.914 -0.188 18692 2894 1 7 . 1 1 67 67 ASP CB C 67 45.152 45.152 39.606 5.546 18692 2895 1 7 . 1 1 67 67 ASP H H 67 8.117 8.117 8.331 -0.214 18692 2896 1 7 . 1 1 68 68 TRP HA H 68 4.477 4.477 4.797 -0.320 18692 2897 1 7 . 1 1 68 68 TRP CA C 68 56.253 56.253 55.760 0.493 18692 2898 1 7 . 1 1 68 68 TRP CB C 68 33.719 33.719 33.285 0.434 18692 2899 1 7 . 1 1 68 68 TRP H H 68 8.310 8.310 7.535 0.775 18692 2900 1 7 . 1 1 69 69 THR N N 69 114.495 114.495 110.926 3.569 18692 2901 1 7 . 1 1 69 69 THR HA H 69 5.605 5.605 4.923 0.682 18692 2902 1 7 . 1 1 69 69 THR C C 69 176.005 176.005 173.169 2.836 18692 2903 1 7 . 1 1 69 69 THR CA C 69 58.855 58.855 61.082 -2.227 18692 2904 1 7 . 1 1 69 69 THR CB C 69 72.755 72.755 70.646 2.109 18692 2905 1 7 . 1 1 69 69 THR H H 69 7.985 7.985 8.159 -0.174 18692 2906 1 7 . 1 1 70 70 ILE N N 70 114.448 114.448 125.457 -11.009 18692 2907 1 7 . 1 1 70 70 ILE HA H 70 5.384 5.384 4.749 0.635 18692 2908 1 7 . 1 1 70 70 ILE C C 70 175.751 175.751 174.028 1.723 18692 2909 1 7 . 1 1 70 70 ILE CA C 70 59.637 59.637 58.902 0.735 18692 2910 1 7 . 1 1 70 70 ILE CB C 70 41.689 41.689 42.220 -0.531 18692 2911 1 7 . 1 1 70 70 ILE H H 70 8.807 8.807 8.395 0.412 18692 2912 1 7 . 1 1 71 71 VAL N N 71 124.084 124.084 126.601 -2.517 18692 2913 1 7 . 1 1 71 71 VAL HA H 71 5.012 5.012 4.760 0.252 18692 2914 1 7 . 1 1 71 71 VAL C C 71 177.625 177.625 174.647 2.978 18692 2915 1 7 . 1 1 71 71 VAL CA C 71 61.647 61.647 60.795 0.852 18692 2916 1 7 . 1 1 71 71 VAL CB C 71 32.482 32.482 32.686 -0.204 18692 2917 1 7 . 1 1 71 71 VAL H H 71 8.500 8.500 8.459 0.041 18692 2918 1 7 . 1 1 72 72 VAL N N 72 127.753 127.753 124.542 3.211 18692 2919 1 7 . 1 1 72 72 VAL HA H 72 5.147 5.147 4.409 0.738 18692 2920 1 7 . 1 1 72 72 VAL C C 72 175.444 175.444 174.962 0.482 18692 2921 1 7 . 1 1 72 72 VAL CA C 72 60.252 60.252 60.653 -0.401 18692 2922 1 7 . 1 1 72 72 VAL CB C 72 37.425 37.425 33.946 3.479 18692 2923 1 7 . 1 1 72 72 VAL H H 72 9.280 9.280 8.431 0.849 18692 2924 1 7 . 1 1 73 73 ARG N N 73 125.839 125.839 126.740 -0.901 18692 2925 1 7 . 1 1 73 73 ARG HA H 73 5.458 5.458 5.230 0.228 18692 2926 1 7 . 1 1 73 73 ARG C C 73 177.981 177.981 176.121 1.860 18692 2927 1 7 . 1 1 73 73 ARG CA C 73 53.788 53.788 54.052 -0.264 18692 2928 1 7 . 1 1 73 73 ARG CB C 73 33.855 33.855 30.708 3.147 18692 2929 1 7 . 1 1 73 73 ARG H H 73 9.194 9.194 8.188 1.006 18692 2930 1 7 . 1 1 74 74 LYS N N 74 129.522 129.522 125.642 3.880 18692 2931 1 7 . 1 1 74 74 LYS HA H 74 4.323 4.323 4.295 0.028 18692 2932 1 7 . 1 1 74 74 LYS C C 74 178.340 178.340 177.037 1.303 18692 2933 1 7 . 1 1 74 74 LYS CA C 74 55.983 55.983 57.696 -1.713 18692 2934 1 7 . 1 1 74 74 LYS CB C 74 33.103 33.103 33.369 -0.266 18692 2935 1 7 . 1 1 74 74 LYS H H 74 10.930 10.930 8.393 2.537 18692 2936 1 7 . 1 1 75 75 LYS N N 75 131.817 131.817 118.299 13.518 18692 2937 1 7 . 1 1 75 75 LYS HA H 75 4.489 4.489 4.511 -0.022 18692 2938 1 7 . 1 1 75 75 LYS CA C 75 55.927 55.927 56.828 -0.901 18692 2939 1 7 . 1 1 75 75 LYS CB C 75 29.730 29.730 34.316 -4.586 18692 2940 1 7 . 1 1 75 75 LYS H H 75 10.873 10.873 8.613 2.260 18692 2941 1 8 . 1 1 2 2 LYS N N 2 127.399 127.399 122.073 5.326 18692 2942 1 8 . 1 1 2 2 LYS HA H 2 3.954 3.954 4.704 -0.750 18692 2943 1 8 . 1 1 2 2 LYS C C 2 175.826 175.826 175.163 0.663 18692 2944 1 8 . 1 1 2 2 LYS CA C 2 57.475 57.475 55.769 1.706 18692 2945 1 8 . 1 1 2 2 LYS CB C 2 34.009 34.009 33.085 0.924 18692 2946 1 8 . 1 1 2 2 LYS H H 2 9.167 9.167 8.442 0.725 18692 2947 1 8 . 1 1 3 3 ARG N N 3 121.207 121.207 118.315 2.892 18692 2948 1 8 . 1 1 3 3 ARG HA H 3 4.797 4.797 4.720 0.077 18692 2949 1 8 . 1 1 3 3 ARG C C 3 176.719 176.719 174.613 2.106 18692 2950 1 8 . 1 1 3 3 ARG CA C 3 54.082 54.082 55.146 -1.064 18692 2951 1 8 . 1 1 3 3 ARG CB C 3 32.816 32.816 33.019 -0.203 18692 2952 1 8 . 1 1 3 3 ARG H H 3 7.705 7.705 7.645 0.060 18692 2953 1 8 . 1 1 4 4 PHE N N 4 124.380 124.380 120.938 3.442 18692 2954 1 8 . 1 1 4 4 PHE HA H 4 4.729 4.729 4.805 -0.076 18692 2955 1 8 . 1 1 4 4 PHE C C 4 176.180 176.180 174.014 2.166 18692 2956 1 8 . 1 1 4 4 PHE CA C 4 56.584 56.584 57.231 -0.647 18692 2957 1 8 . 1 1 4 4 PHE CB C 4 41.758 41.758 42.588 -0.830 18692 2958 1 8 . 1 1 4 4 PHE H H 4 8.913 8.913 9.516 -0.603 18692 2959 1 8 . 1 1 5 5 ASP N N 5 123.331 123.331 128.130 -4.799 18692 2960 1 8 . 1 1 5 5 ASP HA H 5 4.390 4.390 4.842 -0.452 18692 2961 1 8 . 1 1 5 5 ASP C C 5 177.524 177.524 175.529 1.995 18692 2962 1 8 . 1 1 5 5 ASP CA C 5 53.344 53.344 54.388 -1.044 18692 2963 1 8 . 1 1 5 5 ASP CB C 5 41.043 41.043 40.868 0.175 18692 2964 1 8 . 1 1 5 5 ASP H H 5 9.113 9.113 8.523 0.590 18692 2965 1 8 . 1 1 6 6 LEU N N 6 122.540 122.540 125.449 -2.909 18692 2966 1 8 . 1 1 6 6 LEU HA H 6 4.304 4.304 4.503 -0.199 18692 2967 1 8 . 1 1 6 6 LEU CA C 6 55.260 55.260 53.756 1.504 18692 2968 1 8 . 1 1 6 6 LEU CB C 6 42.680 42.680 41.995 0.685 18692 2969 1 8 . 1 1 6 6 LEU H H 6 8.305 8.305 8.852 -0.547 18692 2970 1 8 . 1 1 7 7 ARG N N 7 121.715 121.715 122.777 -1.062 18692 2971 1 8 . 1 1 7 7 ARG HA H 7 4.156 4.156 4.182 -0.026 18692 2972 1 8 . 1 1 7 7 ARG C C 7 177.664 177.664 175.678 1.986 18692 2973 1 8 . 1 1 7 7 ARG CA C 7 56.463 56.463 60.226 -3.763 18692 2974 1 8 . 1 1 7 7 ARG CB C 7 29.315 29.315 28.486 0.829 18692 2975 1 8 . 1 1 7 7 ARG H H 7 8.293 8.293 8.155 0.138 18692 2976 1 8 . 1 1 8 8 PRO HA H 8 4.365 4.365 4.364 0.001 18692 2977 1 8 . 1 1 8 8 PRO C C 8 178.886 178.886 176.246 2.640 18692 2978 1 8 . 1 1 8 8 PRO CA C 8 65.193 65.193 63.196 1.997 18692 2979 1 8 . 1 1 8 8 PRO CB C 8 31.566 31.566 31.560 0.006 18692 2980 1 8 . 1 1 9 9 LEU N N 9 114.107 114.107 121.873 -7.766 18692 2981 1 8 . 1 1 9 9 LEU HA H 9 4.175 4.175 4.344 -0.169 18692 2982 1 8 . 1 1 9 9 LEU C C 9 178.897 178.897 176.078 2.819 18692 2983 1 8 . 1 1 9 9 LEU CA C 9 54.878 54.878 54.606 0.272 18692 2984 1 8 . 1 1 9 9 LEU CB C 9 41.222 41.222 43.701 -2.479 18692 2985 1 8 . 1 1 9 9 LEU H H 9 7.310 7.310 7.378 -0.068 18692 2986 1 8 . 1 1 10 10 LYS N N 10 116.563 116.563 124.060 -7.497 18692 2987 1 8 . 1 1 10 10 LYS HA H 10 3.823 3.823 4.209 -0.386 18692 2988 1 8 . 1 1 10 10 LYS C C 10 178.805 178.805 175.789 3.016 18692 2989 1 8 . 1 1 10 10 LYS CA C 10 57.693 57.693 55.827 1.866 18692 2990 1 8 . 1 1 10 10 LYS CB C 10 34.124 34.124 33.370 0.754 18692 2991 1 8 . 1 1 10 10 LYS H H 10 8.132 8.132 8.230 -0.098 18692 2992 1 8 . 1 1 11 11 ALA N N 11 124.134 124.134 122.767 1.367 18692 2993 1 8 . 1 1 11 11 ALA HA H 11 4.399 4.399 3.998 0.401 18692 2994 1 8 . 1 1 11 11 ALA C C 11 178.877 178.877 178.660 0.217 18692 2995 1 8 . 1 1 11 11 ALA CA C 11 53.292 53.292 53.144 0.148 18692 2996 1 8 . 1 1 11 11 ALA CB C 11 19.310 19.310 18.225 1.085 18692 2997 1 8 . 1 1 11 11 ALA H H 11 8.239 8.239 8.325 -0.086 18692 2998 1 8 . 1 1 12 12 GLY N N 12 108.661 108.661 111.758 -3.097 18692 2999 1 8 . 1 1 12 12 GLY C C 12 178.614 178.614 175.244 3.370 18692 3000 1 8 . 1 1 12 12 GLY CA C 12 47.640 47.640 45.678 1.962 18692 3001 1 8 . 1 1 12 12 GLY H H 12 8.186 8.186 8.945 -0.759 18692 3002 1 8 . 1 1 13 13 ILE N N 13 123.465 123.465 124.097 -0.632 18692 3003 1 8 . 1 1 13 13 ILE HA H 13 4.150 4.150 4.219 -0.069 18692 3004 1 8 . 1 1 13 13 ILE C C 13 177.234 177.234 176.744 0.490 18692 3005 1 8 . 1 1 13 13 ILE CA C 13 60.500 60.500 62.652 -2.152 18692 3006 1 8 . 1 1 13 13 ILE CB C 13 36.970 36.970 38.535 -1.565 18692 3007 1 8 . 1 1 13 13 ILE H H 13 8.309 8.309 7.379 0.930 18692 3008 1 8 . 1 1 14 14 PHE N N 14 119.560 119.560 120.246 -0.686 18692 3009 1 8 . 1 1 14 14 PHE HA H 14 3.354 3.354 4.167 -0.813 18692 3010 1 8 . 1 1 14 14 PHE C C 14 179.301 179.301 176.744 2.557 18692 3011 1 8 . 1 1 14 14 PHE CA C 14 63.883 63.883 61.338 2.545 18692 3012 1 8 . 1 1 14 14 PHE CB C 14 37.608 37.608 37.906 -0.297 18692 3013 1 8 . 1 1 14 14 PHE H H 14 7.801 7.801 7.990 -0.189 18692 3014 1 8 . 1 1 15 15 GLU N N 15 121.567 121.567 119.223 2.344 18692 3015 1 8 . 1 1 15 15 GLU HA H 15 4.260 4.260 3.407 0.853 18692 3016 1 8 . 1 1 15 15 GLU C C 15 181.428 181.428 177.284 4.144 18692 3017 1 8 . 1 1 15 15 GLU CA C 15 60.579 60.579 57.849 2.730 18692 3018 1 8 . 1 1 15 15 GLU CB C 15 28.158 28.158 28.732 -0.574 18692 3019 1 8 . 1 1 15 15 GLU H H 15 8.331 8.331 8.184 0.147 18692 3020 1 8 . 1 1 16 16 ARG N N 16 121.602 121.602 119.164 2.438 18692 3021 1 8 . 1 1 16 16 ARG HA H 16 4.104 4.104 3.775 0.329 18692 3022 1 8 . 1 1 16 16 ARG C C 16 179.418 179.418 178.843 0.575 18692 3023 1 8 . 1 1 16 16 ARG CA C 16 56.877 56.877 58.819 -1.942 18692 3024 1 8 . 1 1 16 16 ARG CB C 16 29.397 29.397 30.084 -0.687 18692 3025 1 8 . 1 1 16 16 ARG H H 16 8.240 8.240 7.378 0.862 18692 3026 1 8 . 1 1 17 17 LEU N N 17 119.769 119.769 120.361 -0.592 18692 3027 1 8 . 1 1 17 17 LEU HA H 17 3.619 3.619 4.090 -0.471 18692 3028 1 8 . 1 1 17 17 LEU C C 17 179.136 179.136 177.872 1.264 18692 3029 1 8 . 1 1 17 17 LEU CA C 17 59.104 59.104 56.595 2.509 18692 3030 1 8 . 1 1 17 17 LEU CB C 17 42.770 42.770 41.312 1.458 18692 3031 1 8 . 1 1 17 17 LEU H H 17 8.134 8.134 8.408 -0.274 18692 3032 1 8 . 1 1 18 18 GLU N N 18 115.547 115.547 118.439 -2.892 18692 3033 1 8 . 1 1 18 18 GLU HA H 18 3.889 3.889 3.349 0.540 18692 3034 1 8 . 1 1 18 18 GLU C C 18 179.643 179.643 178.209 1.434 18692 3035 1 8 . 1 1 18 18 GLU CA C 18 59.929 59.929 59.508 0.421 18692 3036 1 8 . 1 1 18 18 GLU CB C 18 29.170 29.170 28.942 0.228 18692 3037 1 8 . 1 1 18 18 GLU H H 18 7.674 7.674 7.604 0.070 18692 3038 1 8 . 1 1 19 19 GLU N N 19 119.211 119.211 118.561 0.650 18692 3039 1 8 . 1 1 19 19 GLU HA H 19 4.047 4.047 4.015 0.032 18692 3040 1 8 . 1 1 19 19 GLU C C 19 180.374 180.374 178.100 2.274 18692 3041 1 8 . 1 1 19 19 GLU CA C 19 59.441 59.441 58.066 1.375 18692 3042 1 8 . 1 1 19 19 GLU CB C 19 30.269 30.269 29.484 0.785 18692 3043 1 8 . 1 1 19 19 GLU H H 19 7.782 7.782 7.315 0.467 18692 3044 1 8 . 1 1 20 20 LEU N N 20 119.264 119.264 120.265 -1.001 18692 3045 1 8 . 1 1 20 20 LEU HA H 20 3.761 3.761 3.960 -0.199 18692 3046 1 8 . 1 1 20 20 LEU C C 20 181.666 181.666 178.593 3.073 18692 3047 1 8 . 1 1 20 20 LEU CA C 20 57.862 57.862 57.618 0.244 18692 3048 1 8 . 1 1 20 20 LEU CB C 20 42.111 42.111 42.157 -0.046 18692 3049 1 8 . 1 1 20 20 LEU H H 20 8.507 8.507 7.508 0.999 18692 3050 1 8 . 1 1 21 21 ILE N N 21 117.879 117.879 117.777 0.102 18692 3051 1 8 . 1 1 21 21 ILE HA H 21 3.697 3.697 3.799 -0.102 18692 3052 1 8 . 1 1 21 21 ILE C C 21 181.696 181.696 176.914 4.782 18692 3053 1 8 . 1 1 21 21 ILE CA C 21 65.174 65.174 61.800 3.374 18692 3054 1 8 . 1 1 21 21 ILE CB C 21 38.420 38.420 37.834 0.586 18692 3055 1 8 . 1 1 21 21 ILE H H 21 7.750 7.750 7.057 0.693 18692 3056 1 8 . 1 1 22 22 GLU N N 22 116.656 116.656 120.103 -3.447 18692 3057 1 8 . 1 1 22 22 GLU HA H 22 3.891 3.891 3.970 -0.079 18692 3058 1 8 . 1 1 22 22 GLU C C 22 180.424 180.424 177.617 2.807 18692 3059 1 8 . 1 1 22 22 GLU CA C 22 59.864 59.864 59.154 0.710 18692 3060 1 8 . 1 1 22 22 GLU CB C 22 30.047 30.047 29.249 0.798 18692 3061 1 8 . 1 1 22 22 GLU H H 22 8.203 8.203 7.586 0.617 18692 3062 1 8 . 1 1 23 23 LYS N N 23 113.426 113.426 116.686 -3.260 18692 3063 1 8 . 1 1 23 23 LYS HA H 23 4.392 4.392 4.110 0.282 18692 3064 1 8 . 1 1 23 23 LYS C C 23 180.639 180.639 177.671 2.968 18692 3065 1 8 . 1 1 23 23 LYS CA C 23 57.952 57.952 58.405 -0.453 18692 3066 1 8 . 1 1 23 23 LYS CB C 23 34.655 34.655 32.452 2.204 18692 3067 1 8 . 1 1 23 23 LYS H H 23 8.713 8.713 7.358 1.355 18692 3068 1 8 . 1 1 24 24 GLU N N 24 115.943 115.943 117.358 -1.415 18692 3069 1 8 . 1 1 24 24 GLU HA H 24 4.730 4.730 4.170 0.560 18692 3070 1 8 . 1 1 24 24 GLU C C 24 177.407 177.407 177.395 0.012 18692 3071 1 8 . 1 1 24 24 GLU CA C 24 56.241 56.241 57.305 -1.064 18692 3072 1 8 . 1 1 24 24 GLU CB C 24 30.664 30.664 30.395 0.269 18692 3073 1 8 . 1 1 24 24 GLU H H 24 8.225 8.225 7.727 0.498 18692 3074 1 8 . 1 1 25 25 MET N N 25 115.075 115.075 117.231 -2.156 18692 3075 1 8 . 1 1 25 25 MET HA H 25 4.832 4.832 4.202 0.630 18692 3076 1 8 . 1 1 25 25 MET C C 25 177.286 177.286 176.782 0.504 18692 3077 1 8 . 1 1 25 25 MET CA C 25 55.022 55.022 55.292 -0.270 18692 3078 1 8 . 1 1 25 25 MET CB C 25 37.416 37.416 31.871 5.545 18692 3079 1 8 . 1 1 25 25 MET H H 25 6.860 6.860 7.400 -0.540 18692 3080 1 8 . 1 1 26 26 GLN N N 26 122.801 122.801 122.138 0.663 18692 3081 1 8 . 1 1 26 26 GLN HA H 26 4.345 4.345 4.289 0.056 18692 3082 1 8 . 1 1 26 26 GLN C C 26 175.718 175.718 176.252 -0.534 18692 3083 1 8 . 1 1 26 26 GLN CA C 26 52.909 52.909 56.766 -3.857 18692 3084 1 8 . 1 1 26 26 GLN CB C 26 28.417 28.417 28.671 -0.254 18692 3085 1 8 . 1 1 26 26 GLN H H 26 9.264 9.264 8.197 1.067 18692 3086 1 8 . 1 1 27 27 PRO HA H 27 3.915 3.915 4.320 -0.405 18692 3087 1 8 . 1 1 27 27 PRO C C 27 177.450 177.450 175.914 1.536 18692 3088 1 8 . 1 1 27 27 PRO CA C 27 64.908 64.908 64.760 0.148 18692 3089 1 8 . 1 1 27 27 PRO CB C 27 31.265 31.265 32.147 -0.882 18692 3090 1 8 . 1 1 28 28 ASN N N 28 118.995 118.995 113.533 5.462 18692 3091 1 8 . 1 1 28 28 ASN HA H 28 4.475 4.475 5.221 -0.746 18692 3092 1 8 . 1 1 28 28 ASN C C 28 179.421 179.421 174.066 5.355 18692 3093 1 8 . 1 1 28 28 ASN CA C 28 55.368 55.368 52.675 2.693 18692 3094 1 8 . 1 1 28 28 ASN CB C 28 38.967 38.967 40.133 -1.166 18692 3095 1 8 . 1 1 28 28 ASN H H 28 8.458 8.458 8.198 0.260 18692 3096 1 8 . 1 1 29 29 GLU N N 29 123.128 123.128 119.127 4.001 18692 3097 1 8 . 1 1 29 29 GLU HA H 29 4.291 4.291 4.636 -0.345 18692 3098 1 8 . 1 1 29 29 GLU C C 29 175.883 175.883 174.125 1.758 18692 3099 1 8 . 1 1 29 29 GLU CA C 29 56.876 56.876 55.072 1.804 18692 3100 1 8 . 1 1 29 29 GLU CB C 29 31.863 31.863 33.978 -2.115 18692 3101 1 8 . 1 1 29 29 GLU H H 29 8.294 8.294 7.550 0.744 18692 3102 1 8 . 1 1 30 30 VAL N N 30 123.635 123.635 120.766 2.869 18692 3103 1 8 . 1 1 30 30 VAL HA H 30 5.293 5.293 4.582 0.711 18692 3104 1 8 . 1 1 30 30 VAL C C 30 177.201 177.201 175.126 2.075 18692 3105 1 8 . 1 1 30 30 VAL CA C 30 60.562 60.562 61.641 -1.079 18692 3106 1 8 . 1 1 30 30 VAL CB C 30 33.419 33.419 34.081 -0.662 18692 3107 1 8 . 1 1 30 30 VAL H H 30 8.067 8.067 8.464 -0.397 18692 3108 1 8 . 1 1 31 31 ALA N N 31 127.391 127.391 129.781 -2.390 18692 3109 1 8 . 1 1 31 31 ALA HA H 31 4.919 4.919 5.032 -0.113 18692 3110 1 8 . 1 1 31 31 ALA C C 31 176.179 176.179 175.916 0.263 18692 3111 1 8 . 1 1 31 31 ALA CA C 31 51.470 51.470 50.066 1.404 18692 3112 1 8 . 1 1 31 31 ALA CB C 31 24.772 24.772 21.792 2.980 18692 3113 1 8 . 1 1 31 31 ALA H H 31 9.086 9.086 8.325 0.761 18692 3114 1 8 . 1 1 32 32 ILE N N 32 118.468 118.468 125.670 -7.202 18692 3115 1 8 . 1 1 32 32 ILE HA H 32 5.102 5.102 4.434 0.668 18692 3116 1 8 . 1 1 32 32 ILE C C 32 176.300 176.300 174.647 1.653 18692 3117 1 8 . 1 1 32 32 ILE CA C 32 59.604 59.604 60.575 -0.971 18692 3118 1 8 . 1 1 32 32 ILE CB C 32 41.416 41.416 39.067 2.349 18692 3119 1 8 . 1 1 32 32 ILE H H 32 8.175 8.175 7.963 0.212 18692 3120 1 8 . 1 1 33 33 PHE N N 33 123.926 123.926 127.635 -3.709 18692 3121 1 8 . 1 1 33 33 PHE HA H 33 5.407 5.407 5.562 -0.155 18692 3122 1 8 . 1 1 33 33 PHE C C 33 176.695 176.695 175.942 0.753 18692 3123 1 8 . 1 1 33 33 PHE CA C 33 56.627 56.627 55.094 1.533 18692 3124 1 8 . 1 1 33 33 PHE CB C 33 41.583 41.583 39.451 2.132 18692 3125 1 8 . 1 1 33 33 PHE H H 33 9.277 9.277 8.705 0.572 18692 3126 1 8 . 1 1 34 34 MET N N 34 120.519 120.519 124.949 -4.430 18692 3127 1 8 . 1 1 34 34 MET HA H 34 5.517 5.517 5.400 0.117 18692 3128 1 8 . 1 1 34 34 MET C C 34 177.123 177.123 175.017 2.106 18692 3129 1 8 . 1 1 34 34 MET CA C 34 53.515 53.515 55.789 -2.274 18692 3130 1 8 . 1 1 34 34 MET CB C 34 36.447 36.447 34.697 1.750 18692 3131 1 8 . 1 1 34 34 MET H H 34 8.606 8.606 8.637 -0.031 18692 3132 1 8 . 1 1 35 35 PHE N N 35 118.119 118.119 120.487 -2.368 18692 3133 1 8 . 1 1 35 35 PHE HA H 35 4.642 4.642 5.187 -0.545 18692 3134 1 8 . 1 1 35 35 PHE C C 35 175.188 175.188 174.050 1.138 18692 3135 1 8 . 1 1 35 35 PHE CA C 35 56.100 56.100 55.508 0.592 18692 3136 1 8 . 1 1 35 35 PHE CB C 35 41.450 41.450 41.139 0.311 18692 3137 1 8 . 1 1 35 35 PHE H H 35 8.832 8.832 8.762 0.070 18692 3138 1 8 . 1 1 36 36 GLU N N 36 120.598 120.598 122.831 -2.233 18692 3139 1 8 . 1 1 36 36 GLU HA H 36 4.890 4.890 4.236 0.654 18692 3140 1 8 . 1 1 36 36 GLU C C 36 179.258 179.258 175.285 3.973 18692 3141 1 8 . 1 1 36 36 GLU CA C 36 57.184 57.184 55.894 1.290 18692 3142 1 8 . 1 1 36 36 GLU CB C 36 30.844 30.844 29.816 1.028 18692 3143 1 8 . 1 1 36 36 GLU H H 36 9.421 9.421 8.741 0.680 18692 3144 1 8 . 1 1 37 37 VAL N N 37 122.817 122.817 116.819 5.998 18692 3145 1 8 . 1 1 37 37 VAL HA H 37 4.230 4.230 4.255 -0.025 18692 3146 1 8 . 1 1 37 37 VAL C C 37 176.550 176.550 175.360 1.190 18692 3147 1 8 . 1 1 37 37 VAL CA C 37 65.923 65.923 60.595 5.328 18692 3148 1 8 . 1 1 37 37 VAL H H 37 9.005 9.005 7.277 1.728 18692 3149 1 8 . 1 1 38 38 GLY N N 38 109.660 109.660 107.830 1.830 18692 3150 1 8 . 1 1 38 38 GLY C C 38 173.860 173.860 173.549 0.311 18692 3151 1 8 . 1 1 38 38 GLY CA C 38 44.560 44.560 45.325 -0.764 18692 3152 1 8 . 1 1 38 38 GLY H H 38 8.440 8.440 8.138 0.302 18692 3153 1 8 . 1 1 39 39 ASP N N 39 119.440 119.440 119.791 -0.351 18692 3154 1 8 . 1 1 39 39 ASP HA H 39 4.910 4.910 4.968 -0.058 18692 3155 1 8 . 1 1 39 39 ASP C C 39 177.550 177.550 177.417 0.133 18692 3156 1 8 . 1 1 39 39 ASP CA C 39 54.420 54.420 52.286 2.134 18692 3157 1 8 . 1 1 39 39 ASP CB C 39 37.150 37.150 42.884 -5.734 18692 3158 1 8 . 1 1 39 39 ASP H H 39 8.330 8.330 8.181 0.149 18692 3159 1 8 . 1 1 40 40 PHE N N 40 123.361 123.361 118.324 5.037 18692 3160 1 8 . 1 1 40 40 PHE HA H 40 4.620 4.620 4.564 0.056 18692 3161 1 8 . 1 1 40 40 PHE CA C 40 56.250 56.250 59.498 -3.248 18692 3162 1 8 . 1 1 40 40 PHE CB C 40 36.150 36.150 38.814 -2.664 18692 3163 1 8 . 1 1 40 40 PHE H H 40 7.949 7.949 8.447 -0.498 18692 3164 1 8 . 1 1 41 41 SER N N 41 121.483 121.483 114.588 6.895 18692 3165 1 8 . 1 1 41 41 SER HA H 41 4.492 4.492 4.014 0.478 18692 3166 1 8 . 1 1 41 41 SER C C 41 174.554 174.554 175.729 -1.175 18692 3167 1 8 . 1 1 41 41 SER CA C 41 59.660 59.660 59.303 0.357 18692 3168 1 8 . 1 1 41 41 SER CB C 41 63.220 63.220 62.323 0.897 18692 3169 1 8 . 1 1 41 41 SER H H 41 8.519 8.519 7.589 0.930 18692 3170 1 8 . 1 1 42 42 ASN N N 42 118.920 118.920 118.756 0.164 18692 3171 1 8 . 1 1 42 42 ASN HA H 42 4.910 4.910 4.656 0.254 18692 3172 1 8 . 1 1 42 42 ASN CA C 42 53.490 53.490 55.268 -1.778 18692 3173 1 8 . 1 1 42 42 ASN CB C 42 38.120 38.120 38.906 -0.786 18692 3174 1 8 . 1 1 42 42 ASN H H 42 8.330 8.330 7.288 1.042 18692 3175 1 8 . 1 1 43 43 ILE N N 43 121.540 121.540 121.183 0.357 18692 3176 1 8 . 1 1 43 43 ILE HA H 43 4.180 4.180 3.838 0.342 18692 3177 1 8 . 1 1 43 43 ILE CA C 43 60.110 60.110 65.828 -5.718 18692 3178 1 8 . 1 1 43 43 ILE CB C 43 38.440 38.440 35.233 3.207 18692 3179 1 8 . 1 1 43 43 ILE H H 43 8.293 8.293 7.153 1.140 18692 3180 1 8 . 1 1 44 44 PRO HA H 44 4.461 4.461 4.306 0.155 18692 3181 1 8 . 1 1 44 44 PRO C C 44 176.465 176.465 178.687 -2.222 18692 3182 1 8 . 1 1 44 44 PRO CA C 44 65.358 65.358 65.407 -0.049 18692 3183 1 8 . 1 1 44 44 PRO CB C 44 30.441 30.441 31.129 -0.688 18692 3184 1 8 . 1 1 45 45 LYS N N 45 116.236 116.236 117.812 -1.576 18692 3185 1 8 . 1 1 45 45 LYS HA H 45 4.128 4.128 4.018 0.110 18692 3186 1 8 . 1 1 45 45 LYS C C 45 181.467 181.467 178.342 3.125 18692 3187 1 8 . 1 1 45 45 LYS CA C 45 59.712 59.712 59.398 0.314 18692 3188 1 8 . 1 1 45 45 LYS CB C 45 33.281 33.281 32.097 1.184 18692 3189 1 8 . 1 1 45 45 LYS H H 45 7.270 7.270 7.928 -0.658 18692 3190 1 8 . 1 1 46 46 SER N N 46 116.059 116.059 114.953 1.106 18692 3191 1 8 . 1 1 46 46 SER HA H 46 4.080 4.080 4.258 -0.178 18692 3192 1 8 . 1 1 46 46 SER C C 46 177.432 177.432 176.710 0.722 18692 3193 1 8 . 1 1 46 46 SER CA C 46 63.202 63.202 60.733 2.469 18692 3194 1 8 . 1 1 46 46 SER CB C 46 62.118 62.118 63.067 -0.949 18692 3195 1 8 . 1 1 46 46 SER H H 46 8.293 8.293 7.513 0.780 18692 3196 1 8 . 1 1 47 47 ALA N N 47 126.579 126.579 124.687 1.892 18692 3197 1 8 . 1 1 47 47 ALA HA H 47 4.128 4.128 4.252 -0.124 18692 3198 1 8 . 1 1 47 47 ALA C C 47 181.528 181.528 178.428 3.100 18692 3199 1 8 . 1 1 47 47 ALA CA C 47 55.704 55.704 54.380 1.324 18692 3200 1 8 . 1 1 47 47 ALA CB C 47 18.326 18.326 18.206 0.120 18692 3201 1 8 . 1 1 47 47 ALA H H 47 6.990 6.990 7.702 -0.712 18692 3202 1 8 . 1 1 48 48 GLU N N 48 117.980 117.980 117.870 0.110 18692 3203 1 8 . 1 1 48 48 GLU HA H 48 4.062 4.062 3.429 0.633 18692 3204 1 8 . 1 1 48 48 GLU C C 48 180.822 180.822 178.486 2.336 18692 3205 1 8 . 1 1 48 48 GLU CA C 48 59.100 59.100 57.801 1.299 18692 3206 1 8 . 1 1 48 48 GLU CB C 48 29.770 29.770 29.365 0.405 18692 3207 1 8 . 1 1 48 48 GLU H H 48 7.863 7.863 7.615 0.248 18692 3208 1 8 . 1 1 49 49 PHE N N 49 122.179 122.179 118.617 3.562 18692 3209 1 8 . 1 1 49 49 PHE HA H 49 4.117 4.117 4.154 -0.037 18692 3210 1 8 . 1 1 49 49 PHE C C 49 179.580 179.580 177.071 2.509 18692 3211 1 8 . 1 1 49 49 PHE CA C 49 57.813 57.813 60.654 -2.841 18692 3212 1 8 . 1 1 49 49 PHE CB C 49 41.695 41.695 39.036 2.659 18692 3213 1 8 . 1 1 49 49 PHE H H 49 8.341 8.341 7.580 0.761 18692 3214 1 8 . 1 1 50 50 ILE N N 50 117.469 117.469 115.332 2.137 18692 3215 1 8 . 1 1 50 50 ILE HA H 50 3.533 3.533 3.964 -0.431 18692 3216 1 8 . 1 1 50 50 ILE C C 50 179.698 179.698 176.094 3.604 18692 3217 1 8 . 1 1 50 50 ILE CA C 50 62.884 62.884 62.108 0.776 18692 3218 1 8 . 1 1 50 50 ILE CB C 50 36.669 36.669 37.765 -1.096 18692 3219 1 8 . 1 1 50 50 ILE H H 50 8.322 8.322 7.310 1.012 18692 3220 1 8 . 1 1 51 51 GLN N N 51 117.190 117.190 114.993 2.197 18692 3221 1 8 . 1 1 51 51 GLN HA H 51 4.261 4.261 4.427 -0.166 18692 3222 1 8 . 1 1 51 51 GLN C C 51 182.627 182.627 174.995 7.632 18692 3223 1 8 . 1 1 51 51 GLN CA C 51 58.862 58.862 55.647 3.215 18692 3224 1 8 . 1 1 51 51 GLN CB C 51 28.451 28.451 31.691 -3.240 18692 3225 1 8 . 1 1 51 51 GLN H H 51 7.887 7.887 7.189 0.698 18692 3226 1 8 . 1 1 52 52 SER N N 52 117.670 117.670 117.333 0.337 18692 3227 1 8 . 1 1 52 52 SER HA H 52 4.137 4.137 4.253 -0.116 18692 3228 1 8 . 1 1 52 52 SER CA C 52 61.401 61.401 60.961 0.440 18692 3229 1 8 . 1 1 52 52 SER CB C 52 62.615 62.615 63.398 -0.783 18692 3230 1 8 . 1 1 52 52 SER H H 52 8.556 8.556 8.663 -0.107 18692 3231 1 8 . 1 1 53 53 LYS N N 53 119.008 119.008 120.792 -1.784 18692 3232 1 8 . 1 1 53 53 LYS HA H 53 4.170 4.170 4.314 -0.144 18692 3233 1 8 . 1 1 53 53 LYS C C 53 177.911 177.911 175.632 2.279 18692 3234 1 8 . 1 1 53 53 LYS CA C 53 54.662 54.662 56.096 -1.433 18692 3235 1 8 . 1 1 53 53 LYS CB C 53 32.652 32.652 33.654 -1.002 18692 3236 1 8 . 1 1 53 53 LYS H H 53 7.064 7.064 7.486 -0.422 18692 3237 1 8 . 1 1 54 54 GLY N N 54 105.188 105.188 111.420 -6.232 18692 3238 1 8 . 1 1 54 54 GLY C C 54 175.528 175.528 173.581 1.947 18692 3239 1 8 . 1 1 54 54 GLY CA C 54 45.118 45.118 45.042 0.076 18692 3240 1 8 . 1 1 54 54 GLY H H 54 7.548 7.548 8.627 -1.079 18692 3241 1 8 . 1 1 55 55 HIS N N 55 118.294 118.294 119.531 -1.237 18692 3242 1 8 . 1 1 55 55 HIS HA H 55 4.947 4.947 5.074 -0.127 18692 3243 1 8 . 1 1 55 55 HIS C C 55 175.240 175.240 173.687 1.553 18692 3244 1 8 . 1 1 55 55 HIS CA C 55 54.847 54.847 53.782 1.065 18692 3245 1 8 . 1 1 55 55 HIS CB C 55 31.315 31.315 30.126 1.189 18692 3246 1 8 . 1 1 55 55 HIS H H 55 6.998 6.998 7.973 -0.975 18692 3247 1 8 . 1 1 56 56 GLU N N 56 118.205 118.205 125.336 -7.131 18692 3248 1 8 . 1 1 56 56 GLU HA H 56 4.666 4.666 4.510 0.156 18692 3249 1 8 . 1 1 56 56 GLU C C 56 176.766 176.766 174.944 1.822 18692 3250 1 8 . 1 1 56 56 GLU CA C 56 55.162 55.162 54.725 0.437 18692 3251 1 8 . 1 1 56 56 GLU CB C 56 33.110 33.110 32.215 0.895 18692 3252 1 8 . 1 1 56 56 GLU H H 56 8.509 8.509 8.126 0.384 18692 3253 1 8 . 1 1 57 57 LEU N N 57 127.769 127.769 127.089 0.680 18692 3254 1 8 . 1 1 57 57 LEU HA H 57 4.786 4.786 4.722 0.064 18692 3255 1 8 . 1 1 57 57 LEU C C 57 177.854 177.854 177.380 0.474 18692 3256 1 8 . 1 1 57 57 LEU CA C 57 53.780 53.780 53.963 -0.183 18692 3257 1 8 . 1 1 57 57 LEU CB C 57 42.676 42.676 40.339 2.337 18692 3258 1 8 . 1 1 57 57 LEU H H 57 8.978 8.978 8.899 0.079 18692 3259 1 8 . 1 1 58 58 LEU N N 58 128.364 128.364 125.852 2.512 18692 3260 1 8 . 1 1 58 58 LEU HA H 58 4.402 4.402 4.115 0.287 18692 3261 1 8 . 1 1 58 58 LEU C C 58 179.469 179.469 177.303 2.166 18692 3262 1 8 . 1 1 58 58 LEU CA C 58 56.534 56.534 57.897 -1.363 18692 3263 1 8 . 1 1 58 58 LEU CB C 58 42.371 42.371 42.848 -0.477 18692 3264 1 8 . 1 1 58 58 LEU H H 58 9.128 9.128 8.195 0.933 18692 3265 1 8 . 1 1 59 59 ASN N N 59 113.622 113.622 115.848 -2.226 18692 3266 1 8 . 1 1 59 59 ASN HA H 59 4.918 4.918 4.841 0.077 18692 3267 1 8 . 1 1 59 59 ASN C C 59 175.560 175.560 174.052 1.508 18692 3268 1 8 . 1 1 59 59 ASN CA C 59 52.389 52.389 52.072 0.317 18692 3269 1 8 . 1 1 59 59 ASN CB C 59 41.887 41.887 39.436 2.451 18692 3270 1 8 . 1 1 59 59 ASN H H 59 7.574 7.574 7.870 -0.296 18692 3271 1 8 . 1 1 60 60 SER N N 60 118.134 118.134 120.921 -2.787 18692 3272 1 8 . 1 1 60 60 SER HA H 60 4.045 4.045 4.360 -0.315 18692 3273 1 8 . 1 1 60 60 SER CA C 60 56.925 56.925 58.283 -1.358 18692 3274 1 8 . 1 1 60 60 SER CB C 60 63.649 63.649 63.908 -0.259 18692 3275 1 8 . 1 1 60 60 SER H H 60 8.436 8.436 8.556 -0.120 18692 3276 1 8 . 1 1 61 61 LEU N N 61 128.266 128.266 121.168 7.098 18692 3277 1 8 . 1 1 61 61 LEU HA H 61 4.219 4.219 4.619 -0.400 18692 3278 1 8 . 1 1 61 61 LEU CA C 61 55.106 55.106 55.555 -0.449 18692 3279 1 8 . 1 1 61 61 LEU CB C 61 44.577 44.577 42.601 1.976 18692 3280 1 8 . 1 1 61 61 LEU H H 61 8.725 8.725 8.206 0.519 18692 3281 1 8 . 1 1 62 62 ARG N N 62 122.383 122.383 124.646 -2.263 18692 3282 1 8 . 1 1 62 62 ARG HA H 62 4.312 4.312 4.298 0.014 18692 3283 1 8 . 1 1 62 62 ARG C C 62 176.560 176.560 176.390 0.170 18692 3284 1 8 . 1 1 62 62 ARG CA C 62 57.290 57.290 54.100 3.190 18692 3285 1 8 . 1 1 62 62 ARG CB C 62 30.828 30.828 27.420 3.408 18692 3286 1 8 . 1 1 62 62 ARG H H 62 7.303 7.303 8.953 -1.650 18692 3287 1 8 . 1 1 63 63 PHE N N 63 120.560 120.560 121.856 -1.296 18692 3288 1 8 . 1 1 63 63 PHE HA H 63 4.613 4.613 4.324 0.289 18692 3289 1 8 . 1 1 63 63 PHE CA C 63 61.377 61.377 59.486 1.891 18692 3290 1 8 . 1 1 63 63 PHE CB C 63 39.908 39.908 38.382 1.526 18692 3291 1 8 . 1 1 63 63 PHE H H 63 8.321 8.321 8.073 0.248 18692 3292 1 8 . 1 1 64 64 ASN N N 64 117.616 117.616 116.922 0.694 18692 3293 1 8 . 1 1 64 64 ASN HA H 64 4.377 4.377 3.877 0.500 18692 3294 1 8 . 1 1 64 64 ASN C C 64 176.642 176.642 175.291 1.351 18692 3295 1 8 . 1 1 64 64 ASN CA C 64 53.465 53.465 53.946 -0.481 18692 3296 1 8 . 1 1 64 64 ASN CB C 64 37.450 37.450 37.885 -0.435 18692 3297 1 8 . 1 1 64 64 ASN H H 64 8.101 8.101 7.875 0.226 18692 3298 1 8 . 1 1 65 65 GLN N N 65 115.548 115.548 118.013 -2.465 18692 3299 1 8 . 1 1 65 65 GLN HA H 65 4.275 4.275 4.338 -0.063 18692 3300 1 8 . 1 1 65 65 GLN C C 65 178.411 178.411 174.659 3.752 18692 3301 1 8 . 1 1 65 65 GLN CA C 65 59.127 59.127 54.788 4.340 18692 3302 1 8 . 1 1 65 65 GLN CB C 65 28.650 28.650 31.035 -2.385 18692 3303 1 8 . 1 1 65 65 GLN H H 65 8.330 8.330 7.514 0.816 18692 3304 1 8 . 1 1 66 66 ALA N N 66 120.802 120.802 122.083 -1.281 18692 3305 1 8 . 1 1 66 66 ALA HA H 66 4.652 4.652 4.278 0.374 18692 3306 1 8 . 1 1 66 66 ALA C C 66 178.893 178.893 176.962 1.931 18692 3307 1 8 . 1 1 66 66 ALA CA C 66 52.751 52.751 51.791 0.960 18692 3308 1 8 . 1 1 66 66 ALA CB C 66 21.705 21.705 19.662 2.043 18692 3309 1 8 . 1 1 66 66 ALA H H 66 8.346 8.346 8.215 0.131 18692 3310 1 8 . 1 1 67 67 ASP N N 67 118.909 118.909 119.620 -0.711 18692 3311 1 8 . 1 1 67 67 ASP HA H 67 4.612 4.612 4.414 0.198 18692 3312 1 8 . 1 1 67 67 ASP C C 67 175.639 175.639 175.629 0.010 18692 3313 1 8 . 1 1 67 67 ASP CA C 67 54.726 54.726 54.780 -0.054 18692 3314 1 8 . 1 1 67 67 ASP CB C 67 45.152 45.152 39.120 6.032 18692 3315 1 8 . 1 1 67 67 ASP H H 67 8.117 8.117 8.473 -0.356 18692 3316 1 8 . 1 1 68 68 TRP HA H 68 4.477 4.477 4.905 -0.428 18692 3317 1 8 . 1 1 68 68 TRP CA C 68 56.253 56.253 56.193 0.060 18692 3318 1 8 . 1 1 68 68 TRP CB C 68 33.719 33.719 33.151 0.568 18692 3319 1 8 . 1 1 68 68 TRP H H 68 8.310 8.310 7.450 0.860 18692 3320 1 8 . 1 1 69 69 THR N N 69 114.495 114.495 111.456 3.039 18692 3321 1 8 . 1 1 69 69 THR HA H 69 5.605 5.605 4.641 0.964 18692 3322 1 8 . 1 1 69 69 THR C C 69 176.005 176.005 173.133 2.872 18692 3323 1 8 . 1 1 69 69 THR CA C 69 58.855 58.855 60.813 -1.958 18692 3324 1 8 . 1 1 69 69 THR CB C 69 72.755 72.755 70.975 1.780 18692 3325 1 8 . 1 1 69 69 THR H H 69 7.985 7.985 8.114 -0.129 18692 3326 1 8 . 1 1 70 70 ILE N N 70 114.448 114.448 127.212 -12.764 18692 3327 1 8 . 1 1 70 70 ILE HA H 70 5.384 5.384 4.651 0.733 18692 3328 1 8 . 1 1 70 70 ILE C C 70 175.751 175.751 174.010 1.741 18692 3329 1 8 . 1 1 70 70 ILE CA C 70 59.637 59.637 58.849 0.788 18692 3330 1 8 . 1 1 70 70 ILE CB C 70 41.689 41.689 41.187 0.502 18692 3331 1 8 . 1 1 70 70 ILE H H 70 8.807 8.807 8.225 0.582 18692 3332 1 8 . 1 1 71 71 VAL N N 71 124.084 124.084 130.262 -6.178 18692 3333 1 8 . 1 1 71 71 VAL HA H 71 5.012 5.012 4.403 0.609 18692 3334 1 8 . 1 1 71 71 VAL C C 71 177.625 177.625 175.026 2.599 18692 3335 1 8 . 1 1 71 71 VAL CA C 71 61.647 61.647 61.036 0.611 18692 3336 1 8 . 1 1 71 71 VAL CB C 71 32.482 32.482 31.394 1.088 18692 3337 1 8 . 1 1 71 71 VAL H H 71 8.500 8.500 8.383 0.117 18692 3338 1 8 . 1 1 72 72 VAL N N 72 127.753 127.753 126.892 0.861 18692 3339 1 8 . 1 1 72 72 VAL HA H 72 5.147 5.147 4.525 0.622 18692 3340 1 8 . 1 1 72 72 VAL C C 72 175.444 175.444 174.938 0.506 18692 3341 1 8 . 1 1 72 72 VAL CA C 72 60.252 60.252 60.676 -0.424 18692 3342 1 8 . 1 1 72 72 VAL CB C 72 37.425 37.425 33.391 4.034 18692 3343 1 8 . 1 1 72 72 VAL H H 72 9.280 9.280 8.600 0.680 18692 3344 1 8 . 1 1 73 73 ARG N N 73 125.839 125.839 126.673 -0.834 18692 3345 1 8 . 1 1 73 73 ARG HA H 73 5.458 5.458 5.274 0.184 18692 3346 1 8 . 1 1 73 73 ARG C C 73 177.981 177.981 176.277 1.704 18692 3347 1 8 . 1 1 73 73 ARG CA C 73 53.788 53.788 53.890 -0.102 18692 3348 1 8 . 1 1 73 73 ARG CB C 73 33.855 33.855 31.005 2.850 18692 3349 1 8 . 1 1 73 73 ARG H H 73 9.194 9.194 8.414 0.780 18692 3350 1 8 . 1 1 74 74 LYS N N 74 129.522 129.522 125.480 4.042 18692 3351 1 8 . 1 1 74 74 LYS HA H 74 4.323 4.323 4.140 0.183 18692 3352 1 8 . 1 1 74 74 LYS C C 74 178.340 178.340 176.786 1.554 18692 3353 1 8 . 1 1 74 74 LYS CA C 74 55.983 55.983 58.081 -2.098 18692 3354 1 8 . 1 1 74 74 LYS CB C 74 33.103 33.103 33.240 -0.137 18692 3355 1 8 . 1 1 74 74 LYS H H 74 10.930 10.930 8.323 2.607 18692 3356 1 8 . 1 1 75 75 LYS N N 75 131.817 131.817 118.818 12.999 18692 3357 1 8 . 1 1 75 75 LYS HA H 75 4.489 4.489 4.512 -0.023 18692 3358 1 8 . 1 1 75 75 LYS CA C 75 55.927 55.927 56.684 -0.757 18692 3359 1 8 . 1 1 75 75 LYS CB C 75 29.730 29.730 33.608 -3.878 18692 3360 1 8 . 1 1 75 75 LYS H H 75 10.873 10.873 8.542 2.331 18692 3361 1 9 . 1 1 2 2 LYS N N 2 127.399 127.399 119.121 8.278 18692 3362 1 9 . 1 1 2 2 LYS HA H 2 3.954 3.954 4.656 -0.702 18692 3363 1 9 . 1 1 2 2 LYS C C 2 175.826 175.826 174.506 1.320 18692 3364 1 9 . 1 1 2 2 LYS CA C 2 57.475 57.475 55.811 1.664 18692 3365 1 9 . 1 1 2 2 LYS CB C 2 34.009 34.009 33.611 0.397 18692 3366 1 9 . 1 1 2 2 LYS H H 2 9.167 9.167 8.267 0.900 18692 3367 1 9 . 1 1 3 3 ARG N N 3 121.207 121.207 119.042 2.165 18692 3368 1 9 . 1 1 3 3 ARG HA H 3 4.797 4.797 4.924 -0.127 18692 3369 1 9 . 1 1 3 3 ARG C C 3 176.719 176.719 174.535 2.184 18692 3370 1 9 . 1 1 3 3 ARG CA C 3 54.082 54.082 55.267 -1.185 18692 3371 1 9 . 1 1 3 3 ARG CB C 3 32.816 32.816 33.067 -0.251 18692 3372 1 9 . 1 1 3 3 ARG H H 3 7.705 7.705 7.743 -0.038 18692 3373 1 9 . 1 1 4 4 PHE N N 4 124.380 124.380 120.881 3.499 18692 3374 1 9 . 1 1 4 4 PHE HA H 4 4.729 4.729 4.809 -0.080 18692 3375 1 9 . 1 1 4 4 PHE C C 4 176.180 176.180 174.068 2.112 18692 3376 1 9 . 1 1 4 4 PHE CA C 4 56.584 56.584 57.391 -0.807 18692 3377 1 9 . 1 1 4 4 PHE CB C 4 41.758 41.758 42.613 -0.855 18692 3378 1 9 . 1 1 4 4 PHE H H 4 8.913 8.913 9.652 -0.739 18692 3379 1 9 . 1 1 5 5 ASP N N 5 123.331 123.331 128.271 -4.940 18692 3380 1 9 . 1 1 5 5 ASP HA H 5 4.390 4.390 4.919 -0.529 18692 3381 1 9 . 1 1 5 5 ASP C C 5 177.524 177.524 175.856 1.668 18692 3382 1 9 . 1 1 5 5 ASP CA C 5 53.344 53.344 53.933 -0.589 18692 3383 1 9 . 1 1 5 5 ASP CB C 5 41.043 41.043 40.782 0.261 18692 3384 1 9 . 1 1 5 5 ASP H H 5 9.113 9.113 8.611 0.502 18692 3385 1 9 . 1 1 6 6 LEU N N 6 122.540 122.540 124.341 -1.801 18692 3386 1 9 . 1 1 6 6 LEU HA H 6 4.304 4.304 4.436 -0.132 18692 3387 1 9 . 1 1 6 6 LEU CA C 6 55.260 55.260 54.822 0.438 18692 3388 1 9 . 1 1 6 6 LEU CB C 6 42.680 42.680 41.615 1.065 18692 3389 1 9 . 1 1 6 6 LEU H H 6 8.305 8.305 8.457 -0.152 18692 3390 1 9 . 1 1 7 7 ARG N N 7 121.715 121.715 122.235 -0.520 18692 3391 1 9 . 1 1 7 7 ARG HA H 7 4.156 4.156 4.099 0.057 18692 3392 1 9 . 1 1 7 7 ARG C C 7 177.664 177.664 175.782 1.882 18692 3393 1 9 . 1 1 7 7 ARG CA C 7 56.463 56.463 59.897 -3.434 18692 3394 1 9 . 1 1 7 7 ARG CB C 7 29.315 29.315 28.567 0.748 18692 3395 1 9 . 1 1 7 7 ARG H H 7 8.293 8.293 8.321 -0.028 18692 3396 1 9 . 1 1 8 8 PRO HA H 8 4.365 4.365 4.337 0.028 18692 3397 1 9 . 1 1 8 8 PRO C C 8 178.886 178.886 176.615 2.271 18692 3398 1 9 . 1 1 8 8 PRO CA C 8 65.193 65.193 63.469 1.724 18692 3399 1 9 . 1 1 8 8 PRO CB C 8 31.566 31.566 31.704 -0.138 18692 3400 1 9 . 1 1 9 9 LEU N N 9 114.107 114.107 121.262 -7.155 18692 3401 1 9 . 1 1 9 9 LEU HA H 9 4.175 4.175 4.330 -0.155 18692 3402 1 9 . 1 1 9 9 LEU C C 9 178.897 178.897 176.334 2.563 18692 3403 1 9 . 1 1 9 9 LEU CA C 9 54.878 54.878 54.955 -0.077 18692 3404 1 9 . 1 1 9 9 LEU CB C 9 41.222 41.222 43.592 -2.370 18692 3405 1 9 . 1 1 9 9 LEU H H 9 7.310 7.310 7.284 0.026 18692 3406 1 9 . 1 1 10 10 LYS N N 10 116.563 116.563 120.698 -4.135 18692 3407 1 9 . 1 1 10 10 LYS HA H 10 3.823 3.823 4.345 -0.522 18692 3408 1 9 . 1 1 10 10 LYS C C 10 178.805 178.805 175.323 3.482 18692 3409 1 9 . 1 1 10 10 LYS CA C 10 57.693 57.693 54.690 3.003 18692 3410 1 9 . 1 1 10 10 LYS CB C 10 34.124 34.124 34.054 0.070 18692 3411 1 9 . 1 1 10 10 LYS H H 10 8.132 8.132 7.941 0.191 18692 3412 1 9 . 1 1 11 11 ALA N N 11 124.134 124.134 122.205 1.929 18692 3413 1 9 . 1 1 11 11 ALA HA H 11 4.399 4.399 3.896 0.503 18692 3414 1 9 . 1 1 11 11 ALA C C 11 178.877 178.877 178.558 0.319 18692 3415 1 9 . 1 1 11 11 ALA CA C 11 53.292 53.292 53.147 0.145 18692 3416 1 9 . 1 1 11 11 ALA CB C 11 19.310 19.310 18.433 0.877 18692 3417 1 9 . 1 1 11 11 ALA H H 11 8.239 8.239 8.105 0.134 18692 3418 1 9 . 1 1 12 12 GLY N N 12 108.661 108.661 111.105 -2.444 18692 3419 1 9 . 1 1 12 12 GLY C C 12 178.614 178.614 175.433 3.181 18692 3420 1 9 . 1 1 12 12 GLY CA C 12 47.640 47.640 45.755 1.885 18692 3421 1 9 . 1 1 12 12 GLY H H 12 8.186 8.186 9.270 -1.084 18692 3422 1 9 . 1 1 13 13 ILE N N 13 123.465 123.465 123.989 -0.524 18692 3423 1 9 . 1 1 13 13 ILE HA H 13 4.150 4.150 4.138 0.012 18692 3424 1 9 . 1 1 13 13 ILE C C 13 177.234 177.234 176.483 0.751 18692 3425 1 9 . 1 1 13 13 ILE CA C 13 60.500 60.500 62.461 -1.961 18692 3426 1 9 . 1 1 13 13 ILE CB C 13 36.970 36.970 38.418 -1.448 18692 3427 1 9 . 1 1 13 13 ILE H H 13 8.309 8.309 7.358 0.951 18692 3428 1 9 . 1 1 14 14 PHE N N 14 119.560 119.560 120.304 -0.744 18692 3429 1 9 . 1 1 14 14 PHE HA H 14 3.354 3.354 4.168 -0.814 18692 3430 1 9 . 1 1 14 14 PHE C C 14 179.301 179.301 176.711 2.590 18692 3431 1 9 . 1 1 14 14 PHE CA C 14 63.883 63.883 61.235 2.648 18692 3432 1 9 . 1 1 14 14 PHE CB C 14 37.608 37.608 37.880 -0.272 18692 3433 1 9 . 1 1 14 14 PHE H H 14 7.801 7.801 8.106 -0.305 18692 3434 1 9 . 1 1 15 15 GLU N N 15 121.567 121.567 119.898 1.669 18692 3435 1 9 . 1 1 15 15 GLU HA H 15 4.260 4.260 3.444 0.816 18692 3436 1 9 . 1 1 15 15 GLU C C 15 181.428 181.428 177.315 4.113 18692 3437 1 9 . 1 1 15 15 GLU CA C 15 60.579 60.579 58.049 2.530 18692 3438 1 9 . 1 1 15 15 GLU CB C 15 28.158 28.158 28.801 -0.643 18692 3439 1 9 . 1 1 15 15 GLU H H 15 8.331 8.331 8.147 0.184 18692 3440 1 9 . 1 1 16 16 ARG N N 16 121.602 121.602 118.919 2.683 18692 3441 1 9 . 1 1 16 16 ARG HA H 16 4.104 4.104 3.747 0.357 18692 3442 1 9 . 1 1 16 16 ARG C C 16 179.418 179.418 178.876 0.542 18692 3443 1 9 . 1 1 16 16 ARG CA C 16 56.877 56.877 58.874 -1.997 18692 3444 1 9 . 1 1 16 16 ARG CB C 16 29.397 29.397 29.937 -0.540 18692 3445 1 9 . 1 1 16 16 ARG H H 16 8.240 8.240 7.655 0.585 18692 3446 1 9 . 1 1 17 17 LEU N N 17 119.769 119.769 120.136 -0.367 18692 3447 1 9 . 1 1 17 17 LEU HA H 17 3.619 3.619 4.075 -0.456 18692 3448 1 9 . 1 1 17 17 LEU C C 17 179.136 179.136 177.828 1.308 18692 3449 1 9 . 1 1 17 17 LEU CA C 17 59.104 59.104 57.107 1.997 18692 3450 1 9 . 1 1 17 17 LEU CB C 17 42.770 42.770 41.293 1.477 18692 3451 1 9 . 1 1 17 17 LEU H H 17 8.134 8.134 8.586 -0.452 18692 3452 1 9 . 1 1 18 18 GLU N N 18 115.547 115.547 117.992 -2.445 18692 3453 1 9 . 1 1 18 18 GLU HA H 18 3.889 3.889 3.332 0.557 18692 3454 1 9 . 1 1 18 18 GLU C C 18 179.643 179.643 177.754 1.889 18692 3455 1 9 . 1 1 18 18 GLU CA C 18 59.929 59.929 59.303 0.626 18692 3456 1 9 . 1 1 18 18 GLU CB C 18 29.170 29.170 28.890 0.280 18692 3457 1 9 . 1 1 18 18 GLU H H 18 7.674 7.674 7.677 -0.003 18692 3458 1 9 . 1 1 19 19 GLU N N 19 119.211 119.211 118.481 0.730 18692 3459 1 9 . 1 1 19 19 GLU HA H 19 4.047 4.047 4.042 0.005 18692 3460 1 9 . 1 1 19 19 GLU C C 19 180.374 180.374 178.260 2.114 18692 3461 1 9 . 1 1 19 19 GLU CA C 19 59.441 59.441 57.928 1.513 18692 3462 1 9 . 1 1 19 19 GLU CB C 19 30.269 30.269 29.663 0.606 18692 3463 1 9 . 1 1 19 19 GLU H H 19 7.782 7.782 7.367 0.415 18692 3464 1 9 . 1 1 20 20 LEU N N 20 119.264 119.264 120.550 -1.286 18692 3465 1 9 . 1 1 20 20 LEU HA H 20 3.761 3.761 3.953 -0.192 18692 3466 1 9 . 1 1 20 20 LEU C C 20 181.666 181.666 178.632 3.034 18692 3467 1 9 . 1 1 20 20 LEU CA C 20 57.862 57.862 57.738 0.124 18692 3468 1 9 . 1 1 20 20 LEU CB C 20 42.111 42.111 42.115 -0.005 18692 3469 1 9 . 1 1 20 20 LEU H H 20 8.507 8.507 7.481 1.026 18692 3470 1 9 . 1 1 21 21 ILE N N 21 117.879 117.879 116.847 1.032 18692 3471 1 9 . 1 1 21 21 ILE HA H 21 3.697 3.697 3.860 -0.163 18692 3472 1 9 . 1 1 21 21 ILE C C 21 181.696 181.696 177.538 4.158 18692 3473 1 9 . 1 1 21 21 ILE CA C 21 65.174 65.174 62.454 2.720 18692 3474 1 9 . 1 1 21 21 ILE CB C 21 38.420 38.420 37.894 0.526 18692 3475 1 9 . 1 1 21 21 ILE H H 21 7.750 7.750 6.970 0.780 18692 3476 1 9 . 1 1 22 22 GLU N N 22 116.656 116.656 120.244 -3.588 18692 3477 1 9 . 1 1 22 22 GLU HA H 22 3.891 3.891 4.044 -0.153 18692 3478 1 9 . 1 1 22 22 GLU C C 22 180.424 180.424 179.338 1.086 18692 3479 1 9 . 1 1 22 22 GLU CA C 22 59.864 59.864 59.008 0.856 18692 3480 1 9 . 1 1 22 22 GLU CB C 22 30.047 30.047 28.734 1.313 18692 3481 1 9 . 1 1 22 22 GLU H H 22 8.203 8.203 7.612 0.591 18692 3482 1 9 . 1 1 23 23 LYS N N 23 113.426 113.426 118.301 -4.875 18692 3483 1 9 . 1 1 23 23 LYS HA H 23 4.392 4.392 4.110 0.282 18692 3484 1 9 . 1 1 23 23 LYS C C 23 180.639 180.639 178.039 2.600 18692 3485 1 9 . 1 1 23 23 LYS CA C 23 57.952 57.952 58.755 -0.803 18692 3486 1 9 . 1 1 23 23 LYS CB C 23 34.655 34.655 32.283 2.372 18692 3487 1 9 . 1 1 23 23 LYS H H 23 8.713 8.713 7.394 1.319 18692 3488 1 9 . 1 1 24 24 GLU N N 24 115.943 115.943 115.918 0.025 18692 3489 1 9 . 1 1 24 24 GLU HA H 24 4.730 4.730 4.215 0.515 18692 3490 1 9 . 1 1 24 24 GLU C C 24 177.407 177.407 176.429 0.978 18692 3491 1 9 . 1 1 24 24 GLU CA C 24 56.241 56.241 56.374 -0.133 18692 3492 1 9 . 1 1 24 24 GLU CB C 24 30.664 30.664 30.348 0.316 18692 3493 1 9 . 1 1 24 24 GLU H H 24 8.225 8.225 7.731 0.494 18692 3494 1 9 . 1 1 25 25 MET N N 25 115.075 115.075 118.433 -3.358 18692 3495 1 9 . 1 1 25 25 MET HA H 25 4.832 4.832 4.579 0.253 18692 3496 1 9 . 1 1 25 25 MET C C 25 177.286 177.286 176.534 0.752 18692 3497 1 9 . 1 1 25 25 MET CA C 25 55.022 55.022 54.128 0.894 18692 3498 1 9 . 1 1 25 25 MET CB C 25 37.416 37.416 33.040 4.376 18692 3499 1 9 . 1 1 25 25 MET H H 25 6.860 6.860 7.346 -0.486 18692 3500 1 9 . 1 1 26 26 GLN N N 26 122.801 122.801 121.557 1.244 18692 3501 1 9 . 1 1 26 26 GLN HA H 26 4.345 4.345 4.372 -0.027 18692 3502 1 9 . 1 1 26 26 GLN C C 26 175.718 175.718 175.837 -0.119 18692 3503 1 9 . 1 1 26 26 GLN CA C 26 52.909 52.909 55.706 -2.797 18692 3504 1 9 . 1 1 26 26 GLN CB C 26 28.417 28.417 28.917 -0.500 18692 3505 1 9 . 1 1 26 26 GLN H H 26 9.264 9.264 8.612 0.652 18692 3506 1 9 . 1 1 27 27 PRO HA H 27 3.915 3.915 4.337 -0.422 18692 3507 1 9 . 1 1 27 27 PRO C C 27 177.450 177.450 175.972 1.478 18692 3508 1 9 . 1 1 27 27 PRO CA C 27 64.908 64.908 64.648 0.260 18692 3509 1 9 . 1 1 27 27 PRO CB C 27 31.265 31.265 32.103 -0.838 18692 3510 1 9 . 1 1 28 28 ASN N N 28 118.995 118.995 113.400 5.595 18692 3511 1 9 . 1 1 28 28 ASN HA H 28 4.475 4.475 5.171 -0.696 18692 3512 1 9 . 1 1 28 28 ASN C C 28 179.421 179.421 174.048 5.373 18692 3513 1 9 . 1 1 28 28 ASN CA C 28 55.368 55.368 52.603 2.765 18692 3514 1 9 . 1 1 28 28 ASN CB C 28 38.967 38.967 40.162 -1.195 18692 3515 1 9 . 1 1 28 28 ASN H H 28 8.458 8.458 8.162 0.296 18692 3516 1 9 . 1 1 29 29 GLU N N 29 123.128 123.128 119.493 3.635 18692 3517 1 9 . 1 1 29 29 GLU HA H 29 4.291 4.291 4.526 -0.235 18692 3518 1 9 . 1 1 29 29 GLU C C 29 175.883 175.883 174.411 1.472 18692 3519 1 9 . 1 1 29 29 GLU CA C 29 56.876 56.876 54.806 2.070 18692 3520 1 9 . 1 1 29 29 GLU CB C 29 31.863 31.863 33.688 -1.825 18692 3521 1 9 . 1 1 29 29 GLU H H 29 8.294 8.294 7.629 0.665 18692 3522 1 9 . 1 1 30 30 VAL N N 30 123.635 123.635 120.357 3.278 18692 3523 1 9 . 1 1 30 30 VAL HA H 30 5.293 5.293 4.670 0.623 18692 3524 1 9 . 1 1 30 30 VAL C C 30 177.201 177.201 175.157 2.044 18692 3525 1 9 . 1 1 30 30 VAL CA C 30 60.562 60.562 60.228 0.334 18692 3526 1 9 . 1 1 30 30 VAL CB C 30 33.419 33.419 34.168 -0.749 18692 3527 1 9 . 1 1 30 30 VAL H H 30 8.067 8.067 8.345 -0.278 18692 3528 1 9 . 1 1 31 31 ALA N N 31 127.391 127.391 130.554 -3.163 18692 3529 1 9 . 1 1 31 31 ALA HA H 31 4.919 4.919 4.890 0.029 18692 3530 1 9 . 1 1 31 31 ALA C C 31 176.179 176.179 175.956 0.223 18692 3531 1 9 . 1 1 31 31 ALA CA C 31 51.470 51.470 49.922 1.548 18692 3532 1 9 . 1 1 31 31 ALA CB C 31 24.772 24.772 20.830 3.942 18692 3533 1 9 . 1 1 31 31 ALA H H 31 9.086 9.086 8.166 0.920 18692 3534 1 9 . 1 1 32 32 ILE N N 32 118.468 118.468 126.072 -7.604 18692 3535 1 9 . 1 1 32 32 ILE HA H 32 5.102 5.102 4.352 0.750 18692 3536 1 9 . 1 1 32 32 ILE C C 32 176.300 176.300 174.374 1.926 18692 3537 1 9 . 1 1 32 32 ILE CA C 32 59.604 59.604 61.107 -1.503 18692 3538 1 9 . 1 1 32 32 ILE CB C 32 41.416 41.416 39.267 2.149 18692 3539 1 9 . 1 1 32 32 ILE H H 32 8.175 8.175 7.934 0.241 18692 3540 1 9 . 1 1 33 33 PHE N N 33 123.926 123.926 128.102 -4.176 18692 3541 1 9 . 1 1 33 33 PHE HA H 33 5.407 5.407 5.599 -0.192 18692 3542 1 9 . 1 1 33 33 PHE C C 33 176.695 176.695 175.829 0.866 18692 3543 1 9 . 1 1 33 33 PHE CA C 33 56.627 56.627 55.099 1.528 18692 3544 1 9 . 1 1 33 33 PHE CB C 33 41.583 41.583 39.809 1.774 18692 3545 1 9 . 1 1 33 33 PHE H H 33 9.277 9.277 9.058 0.219 18692 3546 1 9 . 1 1 34 34 MET N N 34 120.519 120.519 123.966 -3.447 18692 3547 1 9 . 1 1 34 34 MET HA H 34 5.517 5.517 5.074 0.443 18692 3548 1 9 . 1 1 34 34 MET C C 34 177.123 177.123 175.264 1.859 18692 3549 1 9 . 1 1 34 34 MET CA C 34 53.515 53.515 55.811 -2.296 18692 3550 1 9 . 1 1 34 34 MET CB C 34 36.447 36.447 33.836 2.611 18692 3551 1 9 . 1 1 34 34 MET H H 34 8.606 8.606 8.665 -0.059 18692 3552 1 9 . 1 1 35 35 PHE N N 35 118.119 118.119 120.807 -2.688 18692 3553 1 9 . 1 1 35 35 PHE HA H 35 4.642 4.642 5.159 -0.517 18692 3554 1 9 . 1 1 35 35 PHE C C 35 175.188 175.188 173.745 1.443 18692 3555 1 9 . 1 1 35 35 PHE CA C 35 56.100 56.100 55.904 0.196 18692 3556 1 9 . 1 1 35 35 PHE CB C 35 41.450 41.450 41.139 0.311 18692 3557 1 9 . 1 1 35 35 PHE H H 35 8.832 8.832 9.071 -0.239 18692 3558 1 9 . 1 1 36 36 GLU N N 36 120.598 120.598 122.392 -1.794 18692 3559 1 9 . 1 1 36 36 GLU HA H 36 4.890 4.890 4.373 0.517 18692 3560 1 9 . 1 1 36 36 GLU C C 36 179.258 179.258 175.427 3.831 18692 3561 1 9 . 1 1 36 36 GLU CA C 36 57.184 57.184 55.623 1.561 18692 3562 1 9 . 1 1 36 36 GLU CB C 36 30.844 30.844 30.299 0.544 18692 3563 1 9 . 1 1 36 36 GLU H H 36 9.421 9.421 8.811 0.610 18692 3564 1 9 . 1 1 37 37 VAL N N 37 122.817 122.817 119.986 2.831 18692 3565 1 9 . 1 1 37 37 VAL HA H 37 4.230 4.230 4.142 0.088 18692 3566 1 9 . 1 1 37 37 VAL C C 37 176.550 176.550 177.391 -0.841 18692 3567 1 9 . 1 1 37 37 VAL CA C 37 65.923 65.923 62.271 3.652 18692 3568 1 9 . 1 1 37 37 VAL H H 37 9.005 9.005 7.535 1.470 18692 3569 1 9 . 1 1 38 38 GLY N N 38 109.660 109.660 108.662 0.998 18692 3570 1 9 . 1 1 38 38 GLY C C 38 173.860 173.860 173.513 0.347 18692 3571 1 9 . 1 1 38 38 GLY CA C 38 44.560 44.560 45.379 -0.819 18692 3572 1 9 . 1 1 38 38 GLY H H 38 8.440 8.440 8.467 -0.027 18692 3573 1 9 . 1 1 39 39 ASP N N 39 119.440 119.440 120.151 -0.711 18692 3574 1 9 . 1 1 39 39 ASP HA H 39 4.910 4.910 4.257 0.653 18692 3575 1 9 . 1 1 39 39 ASP C C 39 177.550 177.550 175.955 1.595 18692 3576 1 9 . 1 1 39 39 ASP CA C 39 54.420 54.420 52.800 1.620 18692 3577 1 9 . 1 1 39 39 ASP CB C 39 37.150 37.150 39.182 -2.032 18692 3578 1 9 . 1 1 39 39 ASP H H 39 8.330 8.330 7.511 0.819 18692 3579 1 9 . 1 1 40 40 PHE N N 40 123.361 123.361 120.879 2.482 18692 3580 1 9 . 1 1 40 40 PHE HA H 40 4.620 4.620 4.460 0.160 18692 3581 1 9 . 1 1 40 40 PHE CA C 40 56.250 56.250 57.545 -1.295 18692 3582 1 9 . 1 1 40 40 PHE CB C 40 36.150 36.150 38.711 -2.561 18692 3583 1 9 . 1 1 40 40 PHE H H 40 7.949 7.949 6.554 1.395 18692 3584 1 9 . 1 1 41 41 SER N N 41 121.483 121.483 116.611 4.872 18692 3585 1 9 . 1 1 41 41 SER HA H 41 4.492 4.492 4.133 0.359 18692 3586 1 9 . 1 1 41 41 SER C C 41 174.554 174.554 175.966 -1.412 18692 3587 1 9 . 1 1 41 41 SER CA C 41 59.660 59.660 60.315 -0.655 18692 3588 1 9 . 1 1 41 41 SER CB C 41 63.220 63.220 62.907 0.313 18692 3589 1 9 . 1 1 41 41 SER H H 41 8.519 8.519 8.250 0.269 18692 3590 1 9 . 1 1 42 42 ASN N N 42 118.920 118.920 118.963 -0.043 18692 3591 1 9 . 1 1 42 42 ASN HA H 42 4.910 4.910 4.644 0.266 18692 3592 1 9 . 1 1 42 42 ASN CA C 42 53.490 53.490 55.059 -1.569 18692 3593 1 9 . 1 1 42 42 ASN CB C 42 38.120 38.120 38.804 -0.684 18692 3594 1 9 . 1 1 42 42 ASN H H 42 8.330 8.330 7.699 0.631 18692 3595 1 9 . 1 1 43 43 ILE N N 43 121.540 121.540 121.230 0.310 18692 3596 1 9 . 1 1 43 43 ILE HA H 43 4.180 4.180 3.840 0.340 18692 3597 1 9 . 1 1 43 43 ILE CA C 43 60.110 60.110 66.197 -6.087 18692 3598 1 9 . 1 1 43 43 ILE CB C 43 38.440 38.440 35.155 3.285 18692 3599 1 9 . 1 1 43 43 ILE H H 43 8.293 8.293 7.155 1.138 18692 3600 1 9 . 1 1 44 44 PRO HA H 44 4.461 4.461 4.333 0.128 18692 3601 1 9 . 1 1 44 44 PRO C C 44 176.465 176.465 178.399 -1.934 18692 3602 1 9 . 1 1 44 44 PRO CA C 44 65.358 65.358 64.913 0.445 18692 3603 1 9 . 1 1 44 44 PRO CB C 44 30.441 30.441 30.973 -0.532 18692 3604 1 9 . 1 1 45 45 LYS N N 45 116.236 116.236 119.105 -2.869 18692 3605 1 9 . 1 1 45 45 LYS HA H 45 4.128 4.128 4.166 -0.038 18692 3606 1 9 . 1 1 45 45 LYS C C 45 181.467 181.467 178.532 2.935 18692 3607 1 9 . 1 1 45 45 LYS CA C 45 59.712 59.712 58.731 0.981 18692 3608 1 9 . 1 1 45 45 LYS CB C 45 33.281 33.281 32.596 0.685 18692 3609 1 9 . 1 1 45 45 LYS H H 45 7.270 7.270 7.881 -0.611 18692 3610 1 9 . 1 1 46 46 SER N N 46 116.059 116.059 116.112 -0.053 18692 3611 1 9 . 1 1 46 46 SER HA H 46 4.080 4.080 4.185 -0.105 18692 3612 1 9 . 1 1 46 46 SER C C 46 177.432 177.432 176.213 1.219 18692 3613 1 9 . 1 1 46 46 SER CA C 46 63.202 63.202 61.126 2.076 18692 3614 1 9 . 1 1 46 46 SER CB C 46 62.118 62.118 63.014 -0.896 18692 3615 1 9 . 1 1 46 46 SER H H 46 8.293 8.293 7.661 0.632 18692 3616 1 9 . 1 1 47 47 ALA N N 47 126.579 126.579 123.252 3.327 18692 3617 1 9 . 1 1 47 47 ALA HA H 47 4.128 4.128 3.951 0.177 18692 3618 1 9 . 1 1 47 47 ALA C C 47 181.528 181.528 178.651 2.877 18692 3619 1 9 . 1 1 47 47 ALA CA C 47 55.704 55.704 54.820 0.884 18692 3620 1 9 . 1 1 47 47 ALA CB C 47 18.326 18.326 18.206 0.120 18692 3621 1 9 . 1 1 47 47 ALA H H 47 6.990 6.990 7.622 -0.632 18692 3622 1 9 . 1 1 48 48 GLU N N 48 117.980 117.980 117.743 0.237 18692 3623 1 9 . 1 1 48 48 GLU HA H 48 4.062 4.062 3.069 0.993 18692 3624 1 9 . 1 1 48 48 GLU C C 48 180.822 180.822 178.266 2.556 18692 3625 1 9 . 1 1 48 48 GLU CA C 48 59.100 59.100 57.832 1.268 18692 3626 1 9 . 1 1 48 48 GLU CB C 48 29.770 29.770 29.401 0.369 18692 3627 1 9 . 1 1 48 48 GLU H H 48 7.863 7.863 7.606 0.257 18692 3628 1 9 . 1 1 49 49 PHE N N 49 122.179 122.179 118.499 3.680 18692 3629 1 9 . 1 1 49 49 PHE HA H 49 4.117 4.117 4.118 -0.001 18692 3630 1 9 . 1 1 49 49 PHE C C 49 179.580 179.580 177.328 2.252 18692 3631 1 9 . 1 1 49 49 PHE CA C 49 57.813 57.813 60.806 -2.993 18692 3632 1 9 . 1 1 49 49 PHE CB C 49 41.695 41.695 38.993 2.702 18692 3633 1 9 . 1 1 49 49 PHE H H 49 8.341 8.341 7.701 0.640 18692 3634 1 9 . 1 1 50 50 ILE N N 50 117.469 117.469 117.173 0.296 18692 3635 1 9 . 1 1 50 50 ILE HA H 50 3.533 3.533 3.923 -0.390 18692 3636 1 9 . 1 1 50 50 ILE C C 50 179.698 179.698 176.452 3.246 18692 3637 1 9 . 1 1 50 50 ILE CA C 50 62.884 62.884 63.433 -0.549 18692 3638 1 9 . 1 1 50 50 ILE CB C 50 36.669 36.669 37.590 -0.921 18692 3639 1 9 . 1 1 50 50 ILE H H 50 8.322 8.322 7.295 1.027 18692 3640 1 9 . 1 1 51 51 GLN N N 51 117.190 117.190 116.540 0.650 18692 3641 1 9 . 1 1 51 51 GLN HA H 51 4.261 4.261 4.439 -0.178 18692 3642 1 9 . 1 1 51 51 GLN C C 51 182.627 182.627 175.242 7.385 18692 3643 1 9 . 1 1 51 51 GLN CA C 51 58.862 58.862 55.384 3.478 18692 3644 1 9 . 1 1 51 51 GLN CB C 51 28.451 28.451 30.992 -2.542 18692 3645 1 9 . 1 1 51 51 GLN H H 51 7.887 7.887 7.344 0.543 18692 3646 1 9 . 1 1 52 52 SER N N 52 117.670 117.670 120.029 -2.359 18692 3647 1 9 . 1 1 52 52 SER HA H 52 4.137 4.137 4.218 -0.081 18692 3648 1 9 . 1 1 52 52 SER CA C 52 61.401 61.401 60.615 0.786 18692 3649 1 9 . 1 1 52 52 SER CB C 52 62.615 62.615 63.454 -0.839 18692 3650 1 9 . 1 1 52 52 SER H H 52 8.556 8.556 8.676 -0.120 18692 3651 1 9 . 1 1 53 53 LYS N N 53 119.008 119.008 121.000 -1.992 18692 3652 1 9 . 1 1 53 53 LYS HA H 53 4.170 4.170 4.420 -0.250 18692 3653 1 9 . 1 1 53 53 LYS C C 53 177.911 177.911 175.568 2.343 18692 3654 1 9 . 1 1 53 53 LYS CA C 53 54.662 54.662 56.232 -1.570 18692 3655 1 9 . 1 1 53 53 LYS CB C 53 32.652 32.652 33.773 -1.121 18692 3656 1 9 . 1 1 53 53 LYS H H 53 7.064 7.064 8.219 -1.155 18692 3657 1 9 . 1 1 54 54 GLY N N 54 105.188 105.188 112.735 -7.547 18692 3658 1 9 . 1 1 54 54 GLY C C 54 175.528 175.528 173.075 2.453 18692 3659 1 9 . 1 1 54 54 GLY CA C 54 45.118 45.118 45.600 -0.482 18692 3660 1 9 . 1 1 54 54 GLY H H 54 7.548 7.548 8.712 -1.164 18692 3661 1 9 . 1 1 55 55 HIS N N 55 118.294 118.294 119.678 -1.384 18692 3662 1 9 . 1 1 55 55 HIS HA H 55 4.947 4.947 5.108 -0.161 18692 3663 1 9 . 1 1 55 55 HIS C C 55 175.240 175.240 173.766 1.474 18692 3664 1 9 . 1 1 55 55 HIS CA C 55 54.847 54.847 53.695 1.152 18692 3665 1 9 . 1 1 55 55 HIS CB C 55 31.315 31.315 30.361 0.954 18692 3666 1 9 . 1 1 55 55 HIS H H 55 6.998 6.998 7.990 -0.992 18692 3667 1 9 . 1 1 56 56 GLU N N 56 118.205 118.205 125.510 -7.305 18692 3668 1 9 . 1 1 56 56 GLU HA H 56 4.666 4.666 4.477 0.189 18692 3669 1 9 . 1 1 56 56 GLU C C 56 176.766 176.766 174.985 1.781 18692 3670 1 9 . 1 1 56 56 GLU CA C 56 55.162 55.162 54.983 0.179 18692 3671 1 9 . 1 1 56 56 GLU CB C 56 33.110 33.110 32.356 0.754 18692 3672 1 9 . 1 1 56 56 GLU H H 56 8.509 8.509 8.143 0.366 18692 3673 1 9 . 1 1 57 57 LEU N N 57 127.769 127.769 127.167 0.602 18692 3674 1 9 . 1 1 57 57 LEU HA H 57 4.786 4.786 4.680 0.106 18692 3675 1 9 . 1 1 57 57 LEU C C 57 177.854 177.854 177.806 0.048 18692 3676 1 9 . 1 1 57 57 LEU CA C 57 53.780 53.780 54.093 -0.313 18692 3677 1 9 . 1 1 57 57 LEU CB C 57 42.676 42.676 40.508 2.168 18692 3678 1 9 . 1 1 57 57 LEU H H 57 8.978 8.978 8.829 0.149 18692 3679 1 9 . 1 1 58 58 LEU N N 58 128.364 128.364 125.633 2.731 18692 3680 1 9 . 1 1 58 58 LEU HA H 58 4.402 4.402 4.020 0.382 18692 3681 1 9 . 1 1 58 58 LEU C C 58 179.469 179.469 177.384 2.085 18692 3682 1 9 . 1 1 58 58 LEU CA C 58 56.534 56.534 57.571 -1.037 18692 3683 1 9 . 1 1 58 58 LEU CB C 58 42.371 42.371 42.487 -0.116 18692 3684 1 9 . 1 1 58 58 LEU H H 58 9.128 9.128 8.047 1.081 18692 3685 1 9 . 1 1 59 59 ASN N N 59 113.622 113.622 115.662 -2.040 18692 3686 1 9 . 1 1 59 59 ASN HA H 59 4.918 4.918 4.883 0.035 18692 3687 1 9 . 1 1 59 59 ASN C C 59 175.560 175.560 174.082 1.478 18692 3688 1 9 . 1 1 59 59 ASN CA C 59 52.389 52.389 52.359 0.030 18692 3689 1 9 . 1 1 59 59 ASN CB C 59 41.887 41.887 40.157 1.730 18692 3690 1 9 . 1 1 59 59 ASN H H 59 7.574 7.574 8.032 -0.458 18692 3691 1 9 . 1 1 60 60 SER N N 60 118.134 118.134 120.403 -2.269 18692 3692 1 9 . 1 1 60 60 SER HA H 60 4.045 4.045 4.336 -0.291 18692 3693 1 9 . 1 1 60 60 SER CA C 60 56.925 56.925 58.033 -1.108 18692 3694 1 9 . 1 1 60 60 SER CB C 60 63.649 63.649 64.050 -0.402 18692 3695 1 9 . 1 1 60 60 SER H H 60 8.436 8.436 8.628 -0.192 18692 3696 1 9 . 1 1 61 61 LEU N N 61 128.266 128.266 121.456 6.810 18692 3697 1 9 . 1 1 61 61 LEU HA H 61 4.219 4.219 4.571 -0.352 18692 3698 1 9 . 1 1 61 61 LEU CA C 61 55.106 55.106 55.663 -0.557 18692 3699 1 9 . 1 1 61 61 LEU CB C 61 44.577 44.577 42.373 2.204 18692 3700 1 9 . 1 1 61 61 LEU H H 61 8.725 8.725 8.372 0.353 18692 3701 1 9 . 1 1 62 62 ARG N N 62 122.383 122.383 125.269 -2.886 18692 3702 1 9 . 1 1 62 62 ARG HA H 62 4.312 4.312 4.259 0.053 18692 3703 1 9 . 1 1 62 62 ARG C C 62 176.560 176.560 176.201 0.359 18692 3704 1 9 . 1 1 62 62 ARG CA C 62 57.290 57.290 54.498 2.792 18692 3705 1 9 . 1 1 62 62 ARG CB C 62 30.828 30.828 27.811 3.018 18692 3706 1 9 . 1 1 62 62 ARG H H 62 7.303 7.303 9.238 -1.935 18692 3707 1 9 . 1 1 63 63 PHE N N 63 120.560 120.560 119.887 0.673 18692 3708 1 9 . 1 1 63 63 PHE HA H 63 4.613 4.613 4.462 0.151 18692 3709 1 9 . 1 1 63 63 PHE CA C 63 61.377 61.377 58.421 2.956 18692 3710 1 9 . 1 1 63 63 PHE CB C 63 39.908 39.908 38.168 1.740 18692 3711 1 9 . 1 1 63 63 PHE H H 63 8.321 8.321 8.058 0.263 18692 3712 1 9 . 1 1 64 64 ASN N N 64 117.616 117.616 116.448 1.168 18692 3713 1 9 . 1 1 64 64 ASN HA H 64 4.377 4.377 3.697 0.680 18692 3714 1 9 . 1 1 64 64 ASN C C 64 176.642 176.642 175.394 1.248 18692 3715 1 9 . 1 1 64 64 ASN CA C 64 53.465 53.465 54.849 -1.384 18692 3716 1 9 . 1 1 64 64 ASN CB C 64 37.450 37.450 37.976 -0.526 18692 3717 1 9 . 1 1 64 64 ASN H H 64 8.101 8.101 7.771 0.330 18692 3718 1 9 . 1 1 65 65 GLN N N 65 115.548 115.548 117.614 -2.066 18692 3719 1 9 . 1 1 65 65 GLN HA H 65 4.275 4.275 4.419 -0.144 18692 3720 1 9 . 1 1 65 65 GLN C C 65 178.411 178.411 174.930 3.481 18692 3721 1 9 . 1 1 65 65 GLN CA C 65 59.127 59.127 54.425 4.702 18692 3722 1 9 . 1 1 65 65 GLN CB C 65 28.650 28.650 31.403 -2.753 18692 3723 1 9 . 1 1 65 65 GLN H H 65 8.330 8.330 7.296 1.034 18692 3724 1 9 . 1 1 66 66 ALA N N 66 120.802 120.802 122.442 -1.640 18692 3725 1 9 . 1 1 66 66 ALA HA H 66 4.652 4.652 4.216 0.436 18692 3726 1 9 . 1 1 66 66 ALA C C 66 178.893 178.893 176.960 1.933 18692 3727 1 9 . 1 1 66 66 ALA CA C 66 52.751 52.751 52.664 0.086 18692 3728 1 9 . 1 1 66 66 ALA CB C 66 21.705 21.705 19.171 2.534 18692 3729 1 9 . 1 1 66 66 ALA H H 66 8.346 8.346 8.365 -0.019 18692 3730 1 9 . 1 1 67 67 ASP N N 67 118.909 118.909 119.232 -0.323 18692 3731 1 9 . 1 1 67 67 ASP HA H 67 4.612 4.612 4.366 0.246 18692 3732 1 9 . 1 1 67 67 ASP C C 67 175.639 175.639 175.363 0.276 18692 3733 1 9 . 1 1 67 67 ASP CA C 67 54.726 54.726 54.836 -0.110 18692 3734 1 9 . 1 1 67 67 ASP CB C 67 45.152 45.152 39.361 5.791 18692 3735 1 9 . 1 1 67 67 ASP H H 67 8.117 8.117 8.488 -0.371 18692 3736 1 9 . 1 1 68 68 TRP HA H 68 4.477 4.477 4.751 -0.274 18692 3737 1 9 . 1 1 68 68 TRP CA C 68 56.253 56.253 55.950 0.303 18692 3738 1 9 . 1 1 68 68 TRP CB C 68 33.719 33.719 33.647 0.072 18692 3739 1 9 . 1 1 68 68 TRP H H 68 8.310 8.310 7.365 0.945 18692 3740 1 9 . 1 1 69 69 THR N N 69 114.495 114.495 114.615 -0.120 18692 3741 1 9 . 1 1 69 69 THR HA H 69 5.605 5.605 4.832 0.773 18692 3742 1 9 . 1 1 69 69 THR C C 69 176.005 176.005 173.150 2.855 18692 3743 1 9 . 1 1 69 69 THR CA C 69 58.855 58.855 61.704 -2.849 18692 3744 1 9 . 1 1 69 69 THR CB C 69 72.755 72.755 70.508 2.247 18692 3745 1 9 . 1 1 69 69 THR H H 69 7.985 7.985 8.034 -0.049 18692 3746 1 9 . 1 1 70 70 ILE N N 70 114.448 114.448 124.402 -9.954 18692 3747 1 9 . 1 1 70 70 ILE HA H 70 5.384 5.384 4.692 0.692 18692 3748 1 9 . 1 1 70 70 ILE C C 70 175.751 175.751 173.588 2.163 18692 3749 1 9 . 1 1 70 70 ILE CA C 70 59.637 59.637 59.217 0.421 18692 3750 1 9 . 1 1 70 70 ILE CB C 70 41.689 41.689 41.929 -0.240 18692 3751 1 9 . 1 1 70 70 ILE H H 70 8.807 8.807 8.304 0.503 18692 3752 1 9 . 1 1 71 71 VAL N N 71 124.084 124.084 126.488 -2.404 18692 3753 1 9 . 1 1 71 71 VAL HA H 71 5.012 5.012 4.824 0.188 18692 3754 1 9 . 1 1 71 71 VAL C C 71 177.625 177.625 174.491 3.134 18692 3755 1 9 . 1 1 71 71 VAL CA C 71 61.647 61.647 60.414 1.233 18692 3756 1 9 . 1 1 71 71 VAL CB C 71 32.482 32.482 32.920 -0.438 18692 3757 1 9 . 1 1 71 71 VAL H H 71 8.500 8.500 8.603 -0.103 18692 3758 1 9 . 1 1 72 72 VAL N N 72 127.753 127.753 124.365 3.388 18692 3759 1 9 . 1 1 72 72 VAL HA H 72 5.147 5.147 4.414 0.733 18692 3760 1 9 . 1 1 72 72 VAL C C 72 175.444 175.444 175.043 0.401 18692 3761 1 9 . 1 1 72 72 VAL CA C 72 60.252 60.252 60.672 -0.420 18692 3762 1 9 . 1 1 72 72 VAL CB C 72 37.425 37.425 33.755 3.670 18692 3763 1 9 . 1 1 72 72 VAL H H 72 9.280 9.280 8.277 1.003 18692 3764 1 9 . 1 1 73 73 ARG N N 73 125.839 125.839 126.603 -0.764 18692 3765 1 9 . 1 1 73 73 ARG HA H 73 5.458 5.458 5.252 0.206 18692 3766 1 9 . 1 1 73 73 ARG C C 73 177.981 177.981 176.382 1.599 18692 3767 1 9 . 1 1 73 73 ARG CA C 73 53.788 53.788 54.058 -0.270 18692 3768 1 9 . 1 1 73 73 ARG CB C 73 33.855 33.855 31.141 2.714 18692 3769 1 9 . 1 1 73 73 ARG H H 73 9.194 9.194 8.216 0.978 18692 3770 1 9 . 1 1 74 74 LYS N N 74 129.522 129.522 125.654 3.868 18692 3771 1 9 . 1 1 74 74 LYS HA H 74 4.323 4.323 4.404 -0.081 18692 3772 1 9 . 1 1 74 74 LYS C C 74 178.340 178.340 176.018 2.322 18692 3773 1 9 . 1 1 74 74 LYS CA C 74 55.983 55.983 57.924 -1.941 18692 3774 1 9 . 1 1 74 74 LYS CB C 74 33.103 33.103 33.587 -0.484 18692 3775 1 9 . 1 1 74 74 LYS H H 74 10.930 10.930 8.130 2.800 18692 3776 1 9 . 1 1 75 75 LYS N N 75 131.817 131.817 119.842 11.975 18692 3777 1 9 . 1 1 75 75 LYS HA H 75 4.489 4.489 4.681 -0.192 18692 3778 1 9 . 1 1 75 75 LYS CA C 75 55.927 55.927 55.535 0.392 18692 3779 1 9 . 1 1 75 75 LYS CB C 75 29.730 29.730 35.623 -5.893 18692 3780 1 9 . 1 1 75 75 LYS H H 75 10.873 10.873 8.216 2.657 18692 3781 1 10 . 1 1 2 2 LYS N N 2 127.399 127.399 118.142 9.257 18692 3782 1 10 . 1 1 2 2 LYS HA H 2 3.954 3.954 3.989 -0.035 18692 3783 1 10 . 1 1 2 2 LYS C C 2 175.826 175.826 174.321 1.505 18692 3784 1 10 . 1 1 2 2 LYS CA C 2 57.475 57.475 57.632 -0.157 18692 3785 1 10 . 1 1 2 2 LYS CB C 2 34.009 34.009 30.592 3.417 18692 3786 1 10 . 1 1 2 2 LYS H H 2 9.167 9.167 8.422 0.745 18692 3787 1 10 . 1 1 3 3 ARG N N 3 121.207 121.207 117.202 4.005 18692 3788 1 10 . 1 1 3 3 ARG HA H 3 4.797 4.797 4.863 -0.066 18692 3789 1 10 . 1 1 3 3 ARG C C 3 176.719 176.719 174.537 2.182 18692 3790 1 10 . 1 1 3 3 ARG CA C 3 54.082 54.082 54.987 -0.905 18692 3791 1 10 . 1 1 3 3 ARG CB C 3 32.816 32.816 32.761 0.055 18692 3792 1 10 . 1 1 3 3 ARG H H 3 7.705 7.705 7.700 0.005 18692 3793 1 10 . 1 1 4 4 PHE N N 4 124.380 124.380 120.928 3.452 18692 3794 1 10 . 1 1 4 4 PHE HA H 4 4.729 4.729 4.807 -0.078 18692 3795 1 10 . 1 1 4 4 PHE C C 4 176.180 176.180 174.063 2.117 18692 3796 1 10 . 1 1 4 4 PHE CA C 4 56.584 56.584 57.341 -0.757 18692 3797 1 10 . 1 1 4 4 PHE CB C 4 41.758 41.758 42.708 -0.950 18692 3798 1 10 . 1 1 4 4 PHE H H 4 8.913 8.913 9.485 -0.572 18692 3799 1 10 . 1 1 5 5 ASP N N 5 123.331 123.331 128.533 -5.202 18692 3800 1 10 . 1 1 5 5 ASP HA H 5 4.390 4.390 4.927 -0.537 18692 3801 1 10 . 1 1 5 5 ASP C C 5 177.524 177.524 175.391 2.133 18692 3802 1 10 . 1 1 5 5 ASP CA C 5 53.344 53.344 54.249 -0.905 18692 3803 1 10 . 1 1 5 5 ASP CB C 5 41.043 41.043 41.201 -0.158 18692 3804 1 10 . 1 1 5 5 ASP H H 5 9.113 9.113 8.642 0.471 18692 3805 1 10 . 1 1 6 6 LEU N N 6 122.540 122.540 124.627 -2.087 18692 3806 1 10 . 1 1 6 6 LEU HA H 6 4.304 4.304 4.498 -0.194 18692 3807 1 10 . 1 1 6 6 LEU CA C 6 55.260 55.260 54.630 0.630 18692 3808 1 10 . 1 1 6 6 LEU CB C 6 42.680 42.680 41.775 0.905 18692 3809 1 10 . 1 1 6 6 LEU H H 6 8.305 8.305 8.405 -0.100 18692 3810 1 10 . 1 1 7 7 ARG N N 7 121.715 121.715 121.663 0.052 18692 3811 1 10 . 1 1 7 7 ARG HA H 7 4.156 4.156 4.076 0.080 18692 3812 1 10 . 1 1 7 7 ARG C C 7 177.664 177.664 175.504 2.160 18692 3813 1 10 . 1 1 7 7 ARG CA C 7 56.463 56.463 60.329 -3.866 18692 3814 1 10 . 1 1 7 7 ARG CB C 7 29.315 29.315 28.638 0.677 18692 3815 1 10 . 1 1 7 7 ARG H H 7 8.293 8.293 8.292 0.001 18692 3816 1 10 . 1 1 8 8 PRO HA H 8 4.365 4.365 4.327 0.038 18692 3817 1 10 . 1 1 8 8 PRO C C 8 178.886 178.886 176.510 2.376 18692 3818 1 10 . 1 1 8 8 PRO CA C 8 65.193 65.193 63.227 1.966 18692 3819 1 10 . 1 1 8 8 PRO CB C 8 31.566 31.566 31.608 -0.042 18692 3820 1 10 . 1 1 9 9 LEU N N 9 114.107 114.107 121.737 -7.630 18692 3821 1 10 . 1 1 9 9 LEU HA H 9 4.175 4.175 4.266 -0.091 18692 3822 1 10 . 1 1 9 9 LEU C C 9 178.897 178.897 176.129 2.768 18692 3823 1 10 . 1 1 9 9 LEU CA C 9 54.878 54.878 54.814 0.064 18692 3824 1 10 . 1 1 9 9 LEU CB C 9 41.222 41.222 43.420 -2.198 18692 3825 1 10 . 1 1 9 9 LEU H H 9 7.310 7.310 7.180 0.130 18692 3826 1 10 . 1 1 10 10 LYS N N 10 116.563 116.563 123.325 -6.762 18692 3827 1 10 . 1 1 10 10 LYS HA H 10 3.823 3.823 4.201 -0.378 18692 3828 1 10 . 1 1 10 10 LYS C C 10 178.805 178.805 175.840 2.965 18692 3829 1 10 . 1 1 10 10 LYS CA C 10 57.693 57.693 55.525 2.168 18692 3830 1 10 . 1 1 10 10 LYS CB C 10 34.124 34.124 33.505 0.619 18692 3831 1 10 . 1 1 10 10 LYS H H 10 8.132 8.132 8.123 0.009 18692 3832 1 10 . 1 1 11 11 ALA N N 11 124.134 124.134 122.619 1.515 18692 3833 1 10 . 1 1 11 11 ALA HA H 11 4.399 4.399 3.992 0.407 18692 3834 1 10 . 1 1 11 11 ALA C C 11 178.877 178.877 178.388 0.489 18692 3835 1 10 . 1 1 11 11 ALA CA C 11 53.292 53.292 53.134 0.158 18692 3836 1 10 . 1 1 11 11 ALA CB C 11 19.310 19.310 18.626 0.684 18692 3837 1 10 . 1 1 11 11 ALA H H 11 8.239 8.239 8.047 0.192 18692 3838 1 10 . 1 1 12 12 GLY N N 12 108.661 108.661 109.711 -1.050 18692 3839 1 10 . 1 1 12 12 GLY C C 12 178.614 178.614 174.870 3.744 18692 3840 1 10 . 1 1 12 12 GLY CA C 12 47.640 47.640 45.794 1.846 18692 3841 1 10 . 1 1 12 12 GLY H H 12 8.186 8.186 9.076 -0.890 18692 3842 1 10 . 1 1 13 13 ILE N N 13 123.465 123.465 122.166 1.299 18692 3843 1 10 . 1 1 13 13 ILE HA H 13 4.150 4.150 4.305 -0.155 18692 3844 1 10 . 1 1 13 13 ILE C C 13 177.234 177.234 177.118 0.116 18692 3845 1 10 . 1 1 13 13 ILE CA C 13 60.500 60.500 62.362 -1.862 18692 3846 1 10 . 1 1 13 13 ILE CB C 13 36.970 36.970 38.913 -1.943 18692 3847 1 10 . 1 1 13 13 ILE H H 13 8.309 8.309 7.345 0.964 18692 3848 1 10 . 1 1 14 14 PHE N N 14 119.560 119.560 120.075 -0.515 18692 3849 1 10 . 1 1 14 14 PHE HA H 14 3.354 3.354 4.153 -0.799 18692 3850 1 10 . 1 1 14 14 PHE C C 14 179.301 179.301 176.760 2.541 18692 3851 1 10 . 1 1 14 14 PHE CA C 14 63.883 63.883 61.142 2.741 18692 3852 1 10 . 1 1 14 14 PHE CB C 14 37.608 37.608 37.847 -0.239 18692 3853 1 10 . 1 1 14 14 PHE H H 14 7.801 7.801 8.040 -0.239 18692 3854 1 10 . 1 1 15 15 GLU N N 15 121.567 121.567 119.314 2.253 18692 3855 1 10 . 1 1 15 15 GLU HA H 15 4.260 4.260 3.479 0.781 18692 3856 1 10 . 1 1 15 15 GLU C C 15 181.428 181.428 177.341 4.087 18692 3857 1 10 . 1 1 15 15 GLU CA C 15 60.579 60.579 57.751 2.828 18692 3858 1 10 . 1 1 15 15 GLU CB C 15 28.158 28.158 28.892 -0.734 18692 3859 1 10 . 1 1 15 15 GLU H H 15 8.331 8.331 8.263 0.068 18692 3860 1 10 . 1 1 16 16 ARG N N 16 121.602 121.602 119.422 2.180 18692 3861 1 10 . 1 1 16 16 ARG HA H 16 4.104 4.104 3.807 0.297 18692 3862 1 10 . 1 1 16 16 ARG C C 16 179.418 179.418 178.908 0.510 18692 3863 1 10 . 1 1 16 16 ARG CA C 16 56.877 56.877 58.330 -1.453 18692 3864 1 10 . 1 1 16 16 ARG CB C 16 29.397 29.397 30.167 -0.770 18692 3865 1 10 . 1 1 16 16 ARG H H 16 8.240 8.240 7.419 0.821 18692 3866 1 10 . 1 1 17 17 LEU N N 17 119.769 119.769 119.592 0.177 18692 3867 1 10 . 1 1 17 17 LEU HA H 17 3.619 3.619 4.115 -0.496 18692 3868 1 10 . 1 1 17 17 LEU C C 17 179.136 179.136 177.939 1.197 18692 3869 1 10 . 1 1 17 17 LEU CA C 17 59.104 59.104 56.396 2.708 18692 3870 1 10 . 1 1 17 17 LEU CB C 17 42.770 42.770 41.443 1.327 18692 3871 1 10 . 1 1 17 17 LEU H H 17 8.134 8.134 8.556 -0.422 18692 3872 1 10 . 1 1 18 18 GLU N N 18 115.547 115.547 118.237 -2.690 18692 3873 1 10 . 1 1 18 18 GLU HA H 18 3.889 3.889 3.334 0.555 18692 3874 1 10 . 1 1 18 18 GLU C C 18 179.643 179.643 178.209 1.434 18692 3875 1 10 . 1 1 18 18 GLU CA C 18 59.929 59.929 59.433 0.496 18692 3876 1 10 . 1 1 18 18 GLU CB C 18 29.170 29.170 28.930 0.239 18692 3877 1 10 . 1 1 18 18 GLU H H 18 7.674 7.674 7.641 0.033 18692 3878 1 10 . 1 1 19 19 GLU N N 19 119.211 119.211 118.923 0.288 18692 3879 1 10 . 1 1 19 19 GLU HA H 19 4.047 4.047 4.007 0.040 18692 3880 1 10 . 1 1 19 19 GLU C C 19 180.374 180.374 178.332 2.042 18692 3881 1 10 . 1 1 19 19 GLU CA C 19 59.441 59.441 58.546 0.895 18692 3882 1 10 . 1 1 19 19 GLU CB C 19 30.269 30.269 29.517 0.752 18692 3883 1 10 . 1 1 19 19 GLU H H 19 7.782 7.782 7.302 0.480 18692 3884 1 10 . 1 1 20 20 LEU N N 20 119.264 119.264 120.231 -0.967 18692 3885 1 10 . 1 1 20 20 LEU HA H 20 3.761 3.761 3.949 -0.188 18692 3886 1 10 . 1 1 20 20 LEU C C 20 181.666 181.666 178.987 2.679 18692 3887 1 10 . 1 1 20 20 LEU CA C 20 57.862 57.862 57.814 0.048 18692 3888 1 10 . 1 1 20 20 LEU CB C 20 42.111 42.111 42.017 0.094 18692 3889 1 10 . 1 1 20 20 LEU H H 20 8.507 8.507 7.228 1.279 18692 3890 1 10 . 1 1 21 21 ILE N N 21 117.879 117.879 117.733 0.146 18692 3891 1 10 . 1 1 21 21 ILE HA H 21 3.697 3.697 3.803 -0.106 18692 3892 1 10 . 1 1 21 21 ILE C C 21 181.696 181.696 176.930 4.766 18692 3893 1 10 . 1 1 21 21 ILE CA C 21 65.174 65.174 61.911 3.263 18692 3894 1 10 . 1 1 21 21 ILE CB C 21 38.420 38.420 37.810 0.610 18692 3895 1 10 . 1 1 21 21 ILE H H 21 7.750 7.750 7.076 0.674 18692 3896 1 10 . 1 1 22 22 GLU N N 22 116.656 116.656 119.879 -3.223 18692 3897 1 10 . 1 1 22 22 GLU HA H 22 3.891 3.891 3.910 -0.019 18692 3898 1 10 . 1 1 22 22 GLU C C 22 180.424 180.424 177.757 2.667 18692 3899 1 10 . 1 1 22 22 GLU CA C 22 59.864 59.864 59.453 0.411 18692 3900 1 10 . 1 1 22 22 GLU CB C 22 30.047 30.047 29.333 0.714 18692 3901 1 10 . 1 1 22 22 GLU H H 22 8.203 8.203 7.480 0.723 18692 3902 1 10 . 1 1 23 23 LYS N N 23 113.426 113.426 116.406 -2.980 18692 3903 1 10 . 1 1 23 23 LYS HA H 23 4.392 4.392 4.047 0.345 18692 3904 1 10 . 1 1 23 23 LYS C C 23 180.639 180.639 178.505 2.134 18692 3905 1 10 . 1 1 23 23 LYS CA C 23 57.952 57.952 58.791 -0.839 18692 3906 1 10 . 1 1 23 23 LYS CB C 23 34.655 34.655 32.513 2.142 18692 3907 1 10 . 1 1 23 23 LYS H H 23 8.713 8.713 7.400 1.313 18692 3908 1 10 . 1 1 24 24 GLU N N 24 115.943 115.943 117.827 -1.884 18692 3909 1 10 . 1 1 24 24 GLU HA H 24 4.730 4.730 4.143 0.587 18692 3910 1 10 . 1 1 24 24 GLU C C 24 177.407 177.407 177.283 0.124 18692 3911 1 10 . 1 1 24 24 GLU CA C 24 56.241 56.241 57.253 -1.012 18692 3912 1 10 . 1 1 24 24 GLU CB C 24 30.664 30.664 30.216 0.448 18692 3913 1 10 . 1 1 24 24 GLU H H 24 8.225 8.225 7.640 0.585 18692 3914 1 10 . 1 1 25 25 MET N N 25 115.075 115.075 117.965 -2.890 18692 3915 1 10 . 1 1 25 25 MET HA H 25 4.832 4.832 4.256 0.576 18692 3916 1 10 . 1 1 25 25 MET C C 25 177.286 177.286 176.636 0.650 18692 3917 1 10 . 1 1 25 25 MET CA C 25 55.022 55.022 55.313 -0.291 18692 3918 1 10 . 1 1 25 25 MET CB C 25 37.416 37.416 32.200 5.216 18692 3919 1 10 . 1 1 25 25 MET H H 25 6.860 6.860 7.400 -0.540 18692 3920 1 10 . 1 1 26 26 GLN N N 26 122.801 122.801 121.436 1.365 18692 3921 1 10 . 1 1 26 26 GLN HA H 26 4.345 4.345 4.350 -0.005 18692 3922 1 10 . 1 1 26 26 GLN C C 26 175.718 175.718 176.057 -0.339 18692 3923 1 10 . 1 1 26 26 GLN CA C 26 52.909 52.909 56.400 -3.491 18692 3924 1 10 . 1 1 26 26 GLN CB C 26 28.417 28.417 28.523 -0.106 18692 3925 1 10 . 1 1 26 26 GLN H H 26 9.264 9.264 8.162 1.102 18692 3926 1 10 . 1 1 27 27 PRO HA H 27 3.915 3.915 4.333 -0.418 18692 3927 1 10 . 1 1 27 27 PRO C C 27 177.450 177.450 175.942 1.508 18692 3928 1 10 . 1 1 27 27 PRO CA C 27 64.908 64.908 64.721 0.187 18692 3929 1 10 . 1 1 27 27 PRO CB C 27 31.265 31.265 32.252 -0.987 18692 3930 1 10 . 1 1 28 28 ASN N N 28 118.995 118.995 114.251 4.744 18692 3931 1 10 . 1 1 28 28 ASN HA H 28 4.475 4.475 5.218 -0.743 18692 3932 1 10 . 1 1 28 28 ASN C C 28 179.421 179.421 174.020 5.401 18692 3933 1 10 . 1 1 28 28 ASN CA C 28 55.368 55.368 52.384 2.984 18692 3934 1 10 . 1 1 28 28 ASN CB C 28 38.967 38.967 39.530 -0.563 18692 3935 1 10 . 1 1 28 28 ASN H H 28 8.458 8.458 8.240 0.218 18692 3936 1 10 . 1 1 29 29 GLU N N 29 123.128 123.128 119.621 3.507 18692 3937 1 10 . 1 1 29 29 GLU HA H 29 4.291 4.291 4.545 -0.254 18692 3938 1 10 . 1 1 29 29 GLU C C 29 175.883 175.883 174.332 1.551 18692 3939 1 10 . 1 1 29 29 GLU CA C 29 56.876 56.876 54.895 1.981 18692 3940 1 10 . 1 1 29 29 GLU CB C 29 31.863 31.863 33.493 -1.630 18692 3941 1 10 . 1 1 29 29 GLU H H 29 8.294 8.294 7.620 0.674 18692 3942 1 10 . 1 1 30 30 VAL N N 30 123.635 123.635 121.008 2.627 18692 3943 1 10 . 1 1 30 30 VAL HA H 30 5.293 5.293 4.756 0.537 18692 3944 1 10 . 1 1 30 30 VAL C C 30 177.201 177.201 174.840 2.361 18692 3945 1 10 . 1 1 30 30 VAL CA C 30 60.562 60.562 60.575 -0.013 18692 3946 1 10 . 1 1 30 30 VAL CB C 30 33.419 33.419 34.081 -0.663 18692 3947 1 10 . 1 1 30 30 VAL H H 30 8.067 8.067 8.457 -0.390 18692 3948 1 10 . 1 1 31 31 ALA N N 31 127.391 127.391 130.551 -3.160 18692 3949 1 10 . 1 1 31 31 ALA HA H 31 4.919 4.919 4.980 -0.061 18692 3950 1 10 . 1 1 31 31 ALA C C 31 176.179 176.179 176.069 0.110 18692 3951 1 10 . 1 1 31 31 ALA CA C 31 51.470 51.470 50.059 1.411 18692 3952 1 10 . 1 1 31 31 ALA CB C 31 24.772 24.772 21.524 3.248 18692 3953 1 10 . 1 1 31 31 ALA H H 31 9.086 9.086 8.251 0.835 18692 3954 1 10 . 1 1 32 32 ILE N N 32 118.468 118.468 125.715 -7.247 18692 3955 1 10 . 1 1 32 32 ILE HA H 32 5.102 5.102 4.441 0.661 18692 3956 1 10 . 1 1 32 32 ILE C C 32 176.300 176.300 174.752 1.548 18692 3957 1 10 . 1 1 32 32 ILE CA C 32 59.604 59.604 60.788 -1.184 18692 3958 1 10 . 1 1 32 32 ILE CB C 32 41.416 41.416 38.722 2.694 18692 3959 1 10 . 1 1 32 32 ILE H H 32 8.175 8.175 7.973 0.202 18692 3960 1 10 . 1 1 33 33 PHE N N 33 123.926 123.926 127.585 -3.659 18692 3961 1 10 . 1 1 33 33 PHE HA H 33 5.407 5.407 5.590 -0.183 18692 3962 1 10 . 1 1 33 33 PHE C C 33 176.695 176.695 175.878 0.817 18692 3963 1 10 . 1 1 33 33 PHE CA C 33 56.627 56.627 55.095 1.532 18692 3964 1 10 . 1 1 33 33 PHE CB C 33 41.583 41.583 39.926 1.657 18692 3965 1 10 . 1 1 33 33 PHE H H 33 9.277 9.277 8.816 0.461 18692 3966 1 10 . 1 1 34 34 MET N N 34 120.519 120.519 125.419 -4.900 18692 3967 1 10 . 1 1 34 34 MET HA H 34 5.517 5.517 5.419 0.098 18692 3968 1 10 . 1 1 34 34 MET C C 34 177.123 177.123 174.905 2.218 18692 3969 1 10 . 1 1 34 34 MET CA C 34 53.515 53.515 55.267 -1.752 18692 3970 1 10 . 1 1 34 34 MET CB C 34 36.447 36.447 34.802 1.645 18692 3971 1 10 . 1 1 34 34 MET H H 34 8.606 8.606 8.871 -0.265 18692 3972 1 10 . 1 1 35 35 PHE N N 35 118.119 118.119 121.800 -3.681 18692 3973 1 10 . 1 1 35 35 PHE HA H 35 4.642 4.642 5.230 -0.588 18692 3974 1 10 . 1 1 35 35 PHE C C 35 175.188 175.188 174.286 0.902 18692 3975 1 10 . 1 1 35 35 PHE CA C 35 56.100 56.100 55.582 0.518 18692 3976 1 10 . 1 1 35 35 PHE CB C 35 41.450 41.450 40.767 0.683 18692 3977 1 10 . 1 1 35 35 PHE H H 35 8.832 8.832 8.610 0.222 18692 3978 1 10 . 1 1 36 36 GLU N N 36 120.598 120.598 123.376 -2.778 18692 3979 1 10 . 1 1 36 36 GLU HA H 36 4.890 4.890 4.405 0.485 18692 3980 1 10 . 1 1 36 36 GLU C C 36 179.258 179.258 175.534 3.724 18692 3981 1 10 . 1 1 36 36 GLU CA C 36 57.184 57.184 55.752 1.432 18692 3982 1 10 . 1 1 36 36 GLU CB C 36 30.844 30.844 30.267 0.577 18692 3983 1 10 . 1 1 36 36 GLU H H 36 9.421 9.421 8.892 0.529 18692 3984 1 10 . 1 1 37 37 VAL N N 37 122.817 122.817 120.037 2.780 18692 3985 1 10 . 1 1 37 37 VAL HA H 37 4.230 4.230 4.165 0.065 18692 3986 1 10 . 1 1 37 37 VAL C C 37 176.550 176.550 177.263 -0.713 18692 3987 1 10 . 1 1 37 37 VAL CA C 37 65.923 65.923 62.167 3.756 18692 3988 1 10 . 1 1 37 37 VAL H H 37 9.005 9.005 7.459 1.546 18692 3989 1 10 . 1 1 38 38 GLY N N 38 109.660 109.660 108.916 0.744 18692 3990 1 10 . 1 1 38 38 GLY C C 38 173.860 173.860 173.457 0.403 18692 3991 1 10 . 1 1 38 38 GLY CA C 38 44.560 44.560 45.304 -0.744 18692 3992 1 10 . 1 1 38 38 GLY H H 38 8.440 8.440 8.595 -0.155 18692 3993 1 10 . 1 1 39 39 ASP N N 39 119.440 119.440 120.686 -1.246 18692 3994 1 10 . 1 1 39 39 ASP HA H 39 4.910 4.910 4.316 0.594 18692 3995 1 10 . 1 1 39 39 ASP C C 39 177.550 177.550 175.757 1.793 18692 3996 1 10 . 1 1 39 39 ASP CA C 39 54.420 54.420 54.145 0.275 18692 3997 1 10 . 1 1 39 39 ASP CB C 39 37.150 37.150 39.404 -2.254 18692 3998 1 10 . 1 1 39 39 ASP H H 39 8.330 8.330 7.581 0.749 18692 3999 1 10 . 1 1 40 40 PHE N N 40 123.361 123.361 119.804 3.557 18692 4000 1 10 . 1 1 40 40 PHE HA H 40 4.620 4.620 4.470 0.150 18692 4001 1 10 . 1 1 40 40 PHE CA C 40 56.250 56.250 57.565 -1.315 18692 4002 1 10 . 1 1 40 40 PHE CB C 40 36.150 36.150 38.633 -2.483 18692 4003 1 10 . 1 1 40 40 PHE H H 40 7.949 7.949 6.551 1.398 18692 4004 1 10 . 1 1 41 41 SER N N 41 121.483 121.483 116.306 5.177 18692 4005 1 10 . 1 1 41 41 SER HA H 41 4.492 4.492 4.198 0.294 18692 4006 1 10 . 1 1 41 41 SER C C 41 174.554 174.554 175.894 -1.340 18692 4007 1 10 . 1 1 41 41 SER CA C 41 59.660 59.660 60.019 -0.359 18692 4008 1 10 . 1 1 41 41 SER CB C 41 63.220 63.220 63.136 0.083 18692 4009 1 10 . 1 1 41 41 SER H H 41 8.519 8.519 8.309 0.210 18692 4010 1 10 . 1 1 42 42 ASN N N 42 118.920 118.920 117.540 1.380 18692 4011 1 10 . 1 1 42 42 ASN HA H 42 4.910 4.910 4.643 0.267 18692 4012 1 10 . 1 1 42 42 ASN CA C 42 53.490 53.490 54.269 -0.779 18692 4013 1 10 . 1 1 42 42 ASN CB C 42 38.120 38.120 38.344 -0.224 18692 4014 1 10 . 1 1 42 42 ASN H H 42 8.330 8.330 8.152 0.178 18692 4015 1 10 . 1 1 43 43 ILE N N 43 121.540 121.540 121.291 0.249 18692 4016 1 10 . 1 1 43 43 ILE HA H 43 4.180 4.180 3.843 0.337 18692 4017 1 10 . 1 1 43 43 ILE CA C 43 60.110 60.110 66.246 -6.136 18692 4018 1 10 . 1 1 43 43 ILE CB C 43 38.440 38.440 35.162 3.278 18692 4019 1 10 . 1 1 43 43 ILE H H 43 8.293 8.293 7.159 1.134 18692 4020 1 10 . 1 1 44 44 PRO HA H 44 4.461 4.461 4.336 0.125 18692 4021 1 10 . 1 1 44 44 PRO C C 44 176.465 176.465 178.371 -1.906 18692 4022 1 10 . 1 1 44 44 PRO CA C 44 65.358 65.358 64.903 0.455 18692 4023 1 10 . 1 1 44 44 PRO CB C 44 30.441 30.441 31.001 -0.560 18692 4024 1 10 . 1 1 45 45 LYS N N 45 116.236 116.236 119.163 -2.927 18692 4025 1 10 . 1 1 45 45 LYS HA H 45 4.128 4.128 4.151 -0.023 18692 4026 1 10 . 1 1 45 45 LYS C C 45 181.467 181.467 178.330 3.137 18692 4027 1 10 . 1 1 45 45 LYS CA C 45 59.712 59.712 58.615 1.097 18692 4028 1 10 . 1 1 45 45 LYS CB C 45 33.281 33.281 32.552 0.729 18692 4029 1 10 . 1 1 45 45 LYS H H 45 7.270 7.270 7.838 -0.568 18692 4030 1 10 . 1 1 46 46 SER N N 46 116.059 116.059 116.138 -0.079 18692 4031 1 10 . 1 1 46 46 SER HA H 46 4.080 4.080 4.211 -0.131 18692 4032 1 10 . 1 1 46 46 SER C C 46 177.432 177.432 176.874 0.558 18692 4033 1 10 . 1 1 46 46 SER CA C 46 63.202 63.202 60.964 2.238 18692 4034 1 10 . 1 1 46 46 SER CB C 46 62.118 62.118 62.989 -0.871 18692 4035 1 10 . 1 1 46 46 SER H H 46 8.293 8.293 7.761 0.532 18692 4036 1 10 . 1 1 47 47 ALA N N 47 126.579 126.579 124.156 2.423 18692 4037 1 10 . 1 1 47 47 ALA HA H 47 4.128 4.128 4.242 -0.114 18692 4038 1 10 . 1 1 47 47 ALA C C 47 181.528 181.528 177.945 3.583 18692 4039 1 10 . 1 1 47 47 ALA CA C 47 55.704 55.704 54.553 1.151 18692 4040 1 10 . 1 1 47 47 ALA CB C 47 18.326 18.326 18.213 0.113 18692 4041 1 10 . 1 1 47 47 ALA H H 47 6.990 6.990 7.697 -0.707 18692 4042 1 10 . 1 1 48 48 GLU N N 48 117.980 117.980 117.180 0.800 18692 4043 1 10 . 1 1 48 48 GLU HA H 48 4.062 4.062 3.230 0.832 18692 4044 1 10 . 1 1 48 48 GLU C C 48 180.822 180.822 177.342 3.480 18692 4045 1 10 . 1 1 48 48 GLU CA C 48 59.100 59.100 57.531 1.569 18692 4046 1 10 . 1 1 48 48 GLU CB C 48 29.770 29.770 29.390 0.380 18692 4047 1 10 . 1 1 48 48 GLU H H 48 7.863 7.863 7.498 0.365 18692 4048 1 10 . 1 1 49 49 PHE N N 49 122.179 122.179 117.448 4.731 18692 4049 1 10 . 1 1 49 49 PHE HA H 49 4.117 4.117 4.191 -0.074 18692 4050 1 10 . 1 1 49 49 PHE C C 49 179.580 179.580 176.745 2.835 18692 4051 1 10 . 1 1 49 49 PHE CA C 49 57.813 57.813 60.381 -2.568 18692 4052 1 10 . 1 1 49 49 PHE CB C 49 41.695 41.695 39.176 2.519 18692 4053 1 10 . 1 1 49 49 PHE H H 49 8.341 8.341 7.776 0.565 18692 4054 1 10 . 1 1 50 50 ILE N N 50 117.469 117.469 117.573 -0.104 18692 4055 1 10 . 1 1 50 50 ILE HA H 50 3.533 3.533 4.028 -0.495 18692 4056 1 10 . 1 1 50 50 ILE C C 50 179.698 179.698 176.373 3.325 18692 4057 1 10 . 1 1 50 50 ILE CA C 50 62.884 62.884 62.385 0.499 18692 4058 1 10 . 1 1 50 50 ILE CB C 50 36.669 36.669 38.016 -1.347 18692 4059 1 10 . 1 1 50 50 ILE H H 50 8.322 8.322 7.242 1.080 18692 4060 1 10 . 1 1 51 51 GLN N N 51 117.190 117.190 117.990 -0.800 18692 4061 1 10 . 1 1 51 51 GLN HA H 51 4.261 4.261 4.559 -0.298 18692 4062 1 10 . 1 1 51 51 GLN C C 51 182.627 182.627 175.842 6.785 18692 4063 1 10 . 1 1 51 51 GLN CA C 51 58.862 58.862 54.848 4.014 18692 4064 1 10 . 1 1 51 51 GLN CB C 51 28.451 28.451 32.049 -3.598 18692 4065 1 10 . 1 1 51 51 GLN H H 51 7.887 7.887 7.778 0.109 18692 4066 1 10 . 1 1 52 52 SER N N 52 117.670 117.670 120.993 -3.323 18692 4067 1 10 . 1 1 52 52 SER HA H 52 4.137 4.137 4.267 -0.130 18692 4068 1 10 . 1 1 52 52 SER CA C 52 61.401 61.401 60.787 0.614 18692 4069 1 10 . 1 1 52 52 SER CB C 52 62.615 62.615 63.396 -0.781 18692 4070 1 10 . 1 1 52 52 SER H H 52 8.556 8.556 8.741 -0.185 18692 4071 1 10 . 1 1 53 53 LYS N N 53 119.008 119.008 121.311 -2.303 18692 4072 1 10 . 1 1 53 53 LYS HA H 53 4.170 4.170 4.346 -0.176 18692 4073 1 10 . 1 1 53 53 LYS C C 53 177.911 177.911 175.413 2.498 18692 4074 1 10 . 1 1 53 53 LYS CA C 53 54.662 54.662 56.146 -1.484 18692 4075 1 10 . 1 1 53 53 LYS CB C 53 32.652 32.652 33.436 -0.784 18692 4076 1 10 . 1 1 53 53 LYS H H 53 7.064 7.064 7.484 -0.419 18692 4077 1 10 . 1 1 54 54 GLY N N 54 105.188 105.188 112.483 -7.295 18692 4078 1 10 . 1 1 54 54 GLY C C 54 175.528 175.528 173.645 1.883 18692 4079 1 10 . 1 1 54 54 GLY CA C 54 45.118 45.118 45.835 -0.717 18692 4080 1 10 . 1 1 54 54 GLY H H 54 7.548 7.548 8.624 -1.076 18692 4081 1 10 . 1 1 55 55 HIS N N 55 118.294 118.294 122.082 -3.788 18692 4082 1 10 . 1 1 55 55 HIS HA H 55 4.947 4.947 4.667 0.280 18692 4083 1 10 . 1 1 55 55 HIS C C 55 175.240 175.240 174.229 1.011 18692 4084 1 10 . 1 1 55 55 HIS CA C 55 54.847 54.847 55.488 -0.641 18692 4085 1 10 . 1 1 55 55 HIS CB C 55 31.315 31.315 29.176 2.139 18692 4086 1 10 . 1 1 55 55 HIS H H 55 6.998 6.998 8.098 -1.100 18692 4087 1 10 . 1 1 56 56 GLU N N 56 118.205 118.205 125.961 -7.756 18692 4088 1 10 . 1 1 56 56 GLU HA H 56 4.666 4.666 4.455 0.211 18692 4089 1 10 . 1 1 56 56 GLU C C 56 176.766 176.766 174.923 1.843 18692 4090 1 10 . 1 1 56 56 GLU CA C 56 55.162 55.162 54.962 0.200 18692 4091 1 10 . 1 1 56 56 GLU CB C 56 33.110 33.110 32.313 0.797 18692 4092 1 10 . 1 1 56 56 GLU H H 56 8.509 8.509 8.068 0.441 18692 4093 1 10 . 1 1 57 57 LEU N N 57 127.769 127.769 127.594 0.175 18692 4094 1 10 . 1 1 57 57 LEU HA H 57 4.786 4.786 4.696 0.090 18692 4095 1 10 . 1 1 57 57 LEU C C 57 177.854 177.854 177.761 0.093 18692 4096 1 10 . 1 1 57 57 LEU CA C 57 53.780 53.780 53.828 -0.048 18692 4097 1 10 . 1 1 57 57 LEU CB C 57 42.676 42.676 40.444 2.232 18692 4098 1 10 . 1 1 57 57 LEU H H 57 8.978 8.978 8.805 0.173 18692 4099 1 10 . 1 1 58 58 LEU N N 58 128.364 128.364 125.012 3.352 18692 4100 1 10 . 1 1 58 58 LEU HA H 58 4.402 4.402 4.021 0.381 18692 4101 1 10 . 1 1 58 58 LEU C C 58 179.469 179.469 177.462 2.007 18692 4102 1 10 . 1 1 58 58 LEU CA C 58 56.534 56.534 57.189 -0.655 18692 4103 1 10 . 1 1 58 58 LEU CB C 58 42.371 42.371 42.577 -0.206 18692 4104 1 10 . 1 1 58 58 LEU H H 58 9.128 9.128 8.206 0.922 18692 4105 1 10 . 1 1 59 59 ASN N N 59 113.622 113.622 115.720 -2.098 18692 4106 1 10 . 1 1 59 59 ASN HA H 59 4.918 4.918 4.879 0.039 18692 4107 1 10 . 1 1 59 59 ASN C C 59 175.560 175.560 174.122 1.438 18692 4108 1 10 . 1 1 59 59 ASN CA C 59 52.389 52.389 52.248 0.141 18692 4109 1 10 . 1 1 59 59 ASN CB C 59 41.887 41.887 40.061 1.826 18692 4110 1 10 . 1 1 59 59 ASN H H 59 7.574 7.574 7.973 -0.399 18692 4111 1 10 . 1 1 60 60 SER N N 60 118.134 118.134 120.197 -2.063 18692 4112 1 10 . 1 1 60 60 SER HA H 60 4.045 4.045 4.338 -0.293 18692 4113 1 10 . 1 1 60 60 SER CA C 60 56.925 56.925 58.300 -1.375 18692 4114 1 10 . 1 1 60 60 SER CB C 60 63.649 63.649 64.024 -0.375 18692 4115 1 10 . 1 1 60 60 SER H H 60 8.436 8.436 8.596 -0.160 18692 4116 1 10 . 1 1 61 61 LEU N N 61 128.266 128.266 120.679 7.587 18692 4117 1 10 . 1 1 61 61 LEU HA H 61 4.219 4.219 4.519 -0.300 18692 4118 1 10 . 1 1 61 61 LEU CA C 61 55.106 55.106 55.722 -0.616 18692 4119 1 10 . 1 1 61 61 LEU CB C 61 44.577 44.577 42.388 2.189 18692 4120 1 10 . 1 1 61 61 LEU H H 61 8.725 8.725 8.297 0.428 18692 4121 1 10 . 1 1 62 62 ARG N N 62 122.383 122.383 125.961 -3.578 18692 4122 1 10 . 1 1 62 62 ARG HA H 62 4.312 4.312 4.269 0.043 18692 4123 1 10 . 1 1 62 62 ARG C C 62 176.560 176.560 175.340 1.220 18692 4124 1 10 . 1 1 62 62 ARG CA C 62 57.290 57.290 54.828 2.462 18692 4125 1 10 . 1 1 62 62 ARG CB C 62 30.828 30.828 27.952 2.876 18692 4126 1 10 . 1 1 62 62 ARG H H 62 7.303 7.303 9.066 -1.763 18692 4127 1 10 . 1 1 63 63 PHE N N 63 120.560 120.560 120.563 -0.003 18692 4128 1 10 . 1 1 63 63 PHE HA H 63 4.613 4.613 4.649 -0.036 18692 4129 1 10 . 1 1 63 63 PHE CA C 63 61.377 61.377 56.637 4.740 18692 4130 1 10 . 1 1 63 63 PHE CB C 63 39.908 39.908 39.153 0.755 18692 4131 1 10 . 1 1 63 63 PHE H H 63 8.321 8.321 8.056 0.265 18692 4132 1 10 . 1 1 64 64 ASN N N 64 117.616 117.616 113.351 4.265 18692 4133 1 10 . 1 1 64 64 ASN HA H 64 4.377 4.377 4.037 0.340 18692 4134 1 10 . 1 1 64 64 ASN C C 64 176.642 176.642 174.074 2.568 18692 4135 1 10 . 1 1 64 64 ASN CA C 64 53.465 53.465 54.171 -0.706 18692 4136 1 10 . 1 1 64 64 ASN CB C 64 37.450 37.450 36.891 0.559 18692 4137 1 10 . 1 1 64 64 ASN H H 64 8.101 8.101 8.297 -0.196 18692 4138 1 10 . 1 1 65 65 GLN N N 65 115.548 115.548 117.272 -1.724 18692 4139 1 10 . 1 1 65 65 GLN HA H 65 4.275 4.275 4.420 -0.145 18692 4140 1 10 . 1 1 65 65 GLN C C 65 178.411 178.411 174.485 3.926 18692 4141 1 10 . 1 1 65 65 GLN CA C 65 59.127 59.127 54.575 4.553 18692 4142 1 10 . 1 1 65 65 GLN CB C 65 28.650 28.650 31.254 -2.604 18692 4143 1 10 . 1 1 65 65 GLN H H 65 8.330 8.330 7.527 0.803 18692 4144 1 10 . 1 1 66 66 ALA N N 66 120.802 120.802 123.641 -2.839 18692 4145 1 10 . 1 1 66 66 ALA HA H 66 4.652 4.652 4.271 0.381 18692 4146 1 10 . 1 1 66 66 ALA C C 66 178.893 178.893 177.126 1.767 18692 4147 1 10 . 1 1 66 66 ALA CA C 66 52.751 52.751 52.392 0.359 18692 4148 1 10 . 1 1 66 66 ALA CB C 66 21.705 21.705 19.398 2.308 18692 4149 1 10 . 1 1 66 66 ALA H H 66 8.346 8.346 8.379 -0.033 18692 4150 1 10 . 1 1 67 67 ASP N N 67 118.909 118.909 118.968 -0.059 18692 4151 1 10 . 1 1 67 67 ASP HA H 67 4.612 4.612 4.380 0.232 18692 4152 1 10 . 1 1 67 67 ASP C C 67 175.639 175.639 175.297 0.342 18692 4153 1 10 . 1 1 67 67 ASP CA C 67 54.726 54.726 54.746 -0.020 18692 4154 1 10 . 1 1 67 67 ASP CB C 67 45.152 45.152 40.260 4.893 18692 4155 1 10 . 1 1 67 67 ASP H H 67 8.117 8.117 8.319 -0.202 18692 4156 1 10 . 1 1 68 68 TRP HA H 68 4.477 4.477 4.786 -0.309 18692 4157 1 10 . 1 1 68 68 TRP CA C 68 56.253 56.253 55.740 0.512 18692 4158 1 10 . 1 1 68 68 TRP CB C 68 33.719 33.719 33.215 0.505 18692 4159 1 10 . 1 1 68 68 TRP H H 68 8.310 8.310 7.573 0.737 18692 4160 1 10 . 1 1 69 69 THR N N 69 114.495 114.495 110.970 3.525 18692 4161 1 10 . 1 1 69 69 THR HA H 69 5.605 5.605 4.859 0.746 18692 4162 1 10 . 1 1 69 69 THR C C 69 176.005 176.005 173.163 2.842 18692 4163 1 10 . 1 1 69 69 THR CA C 69 58.855 58.855 61.119 -2.264 18692 4164 1 10 . 1 1 69 69 THR CB C 69 72.755 72.755 70.508 2.247 18692 4165 1 10 . 1 1 69 69 THR H H 69 7.985 7.985 8.118 -0.133 18692 4166 1 10 . 1 1 70 70 ILE N N 70 114.448 114.448 125.734 -11.286 18692 4167 1 10 . 1 1 70 70 ILE HA H 70 5.384 5.384 4.734 0.650 18692 4168 1 10 . 1 1 70 70 ILE C C 70 175.751 175.751 174.025 1.726 18692 4169 1 10 . 1 1 70 70 ILE CA C 70 59.637 59.637 58.897 0.740 18692 4170 1 10 . 1 1 70 70 ILE CB C 70 41.689 41.689 42.161 -0.472 18692 4171 1 10 . 1 1 70 70 ILE H H 70 8.807 8.807 8.330 0.477 18692 4172 1 10 . 1 1 71 71 VAL N N 71 124.084 124.084 126.436 -2.352 18692 4173 1 10 . 1 1 71 71 VAL HA H 71 5.012 5.012 4.626 0.386 18692 4174 1 10 . 1 1 71 71 VAL C C 71 177.625 177.625 174.684 2.941 18692 4175 1 10 . 1 1 71 71 VAL CA C 71 61.647 61.647 60.871 0.776 18692 4176 1 10 . 1 1 71 71 VAL CB C 71 32.482 32.482 32.505 -0.023 18692 4177 1 10 . 1 1 71 71 VAL H H 71 8.500 8.500 8.482 0.018 18692 4178 1 10 . 1 1 72 72 VAL N N 72 127.753 127.753 124.248 3.505 18692 4179 1 10 . 1 1 72 72 VAL HA H 72 5.147 5.147 4.433 0.714 18692 4180 1 10 . 1 1 72 72 VAL C C 72 175.444 175.444 175.098 0.346 18692 4181 1 10 . 1 1 72 72 VAL CA C 72 60.252 60.252 60.578 -0.327 18692 4182 1 10 . 1 1 72 72 VAL CB C 72 37.425 37.425 33.868 3.557 18692 4183 1 10 . 1 1 72 72 VAL H H 72 9.280 9.280 8.239 1.041 18692 4184 1 10 . 1 1 73 73 ARG N N 73 125.839 125.839 126.537 -0.698 18692 4185 1 10 . 1 1 73 73 ARG HA H 73 5.458 5.458 5.200 0.258 18692 4186 1 10 . 1 1 73 73 ARG C C 73 177.981 177.981 176.181 1.800 18692 4187 1 10 . 1 1 73 73 ARG CA C 73 53.788 53.788 54.082 -0.294 18692 4188 1 10 . 1 1 73 73 ARG CB C 73 33.855 33.855 31.061 2.794 18692 4189 1 10 . 1 1 73 73 ARG H H 73 9.194 9.194 8.337 0.857 18692 4190 1 10 . 1 1 74 74 LYS N N 74 129.522 129.522 125.159 4.363 18692 4191 1 10 . 1 1 74 74 LYS HA H 74 4.323 4.323 4.213 0.110 18692 4192 1 10 . 1 1 74 74 LYS C C 74 178.340 178.340 175.998 2.342 18692 4193 1 10 . 1 1 74 74 LYS CA C 74 55.983 55.983 57.786 -1.803 18692 4194 1 10 . 1 1 74 74 LYS CB C 74 33.103 33.103 33.634 -0.531 18692 4195 1 10 . 1 1 74 74 LYS H H 74 10.930 10.930 8.372 2.558 18692 4196 1 10 . 1 1 75 75 LYS N N 75 131.817 131.817 118.280 13.537 18692 4197 1 10 . 1 1 75 75 LYS HA H 75 4.489 4.489 4.551 -0.062 18692 4198 1 10 . 1 1 75 75 LYS CA C 75 55.927 55.927 55.720 0.207 18692 4199 1 10 . 1 1 75 75 LYS CB C 75 29.730 29.730 35.112 -5.382 18692 4200 1 10 . 1 1 75 75 LYS H H 75 10.873 10.873 8.240 2.633 18692 4201 1 11 . 1 1 2 2 LYS N N 2 127.399 127.399 120.056 7.343 18692 4202 1 11 . 1 1 2 2 LYS HA H 2 3.954 3.954 4.681 -0.727 18692 4203 1 11 . 1 1 2 2 LYS C C 2 175.826 175.826 174.331 1.495 18692 4204 1 11 . 1 1 2 2 LYS CA C 2 57.475 57.475 55.876 1.599 18692 4205 1 11 . 1 1 2 2 LYS CB C 2 34.009 34.009 33.256 0.753 18692 4206 1 11 . 1 1 2 2 LYS H H 2 9.167 9.167 8.298 0.869 18692 4207 1 11 . 1 1 3 3 ARG N N 3 121.207 121.207 118.486 2.721 18692 4208 1 11 . 1 1 3 3 ARG HA H 3 4.797 4.797 4.851 -0.054 18692 4209 1 11 . 1 1 3 3 ARG C C 3 176.719 176.719 174.191 2.528 18692 4210 1 11 . 1 1 3 3 ARG CA C 3 54.082 54.082 55.282 -1.200 18692 4211 1 11 . 1 1 3 3 ARG CB C 3 32.816 32.816 32.774 0.042 18692 4212 1 11 . 1 1 3 3 ARG H H 3 7.705 7.705 7.768 -0.063 18692 4213 1 11 . 1 1 4 4 PHE N N 4 124.380 124.380 119.862 4.518 18692 4214 1 11 . 1 1 4 4 PHE HA H 4 4.729 4.729 4.836 -0.107 18692 4215 1 11 . 1 1 4 4 PHE C C 4 176.180 176.180 173.699 2.481 18692 4216 1 11 . 1 1 4 4 PHE CA C 4 56.584 56.584 56.929 -0.345 18692 4217 1 11 . 1 1 4 4 PHE CB C 4 41.758 41.758 43.393 -1.635 18692 4218 1 11 . 1 1 4 4 PHE H H 4 8.913 8.913 9.384 -0.471 18692 4219 1 11 . 1 1 5 5 ASP N N 5 123.331 123.331 128.403 -5.072 18692 4220 1 11 . 1 1 5 5 ASP HA H 5 4.390 4.390 4.903 -0.513 18692 4221 1 11 . 1 1 5 5 ASP C C 5 177.524 177.524 175.399 2.125 18692 4222 1 11 . 1 1 5 5 ASP CA C 5 53.344 53.344 54.363 -1.019 18692 4223 1 11 . 1 1 5 5 ASP CB C 5 41.043 41.043 41.324 -0.281 18692 4224 1 11 . 1 1 5 5 ASP H H 5 9.113 9.113 8.600 0.513 18692 4225 1 11 . 1 1 6 6 LEU N N 6 122.540 122.540 124.850 -2.310 18692 4226 1 11 . 1 1 6 6 LEU HA H 6 4.304 4.304 4.518 -0.214 18692 4227 1 11 . 1 1 6 6 LEU CA C 6 55.260 55.260 53.837 1.423 18692 4228 1 11 . 1 1 6 6 LEU CB C 6 42.680 42.680 41.520 1.159 18692 4229 1 11 . 1 1 6 6 LEU H H 6 8.305 8.305 8.351 -0.046 18692 4230 1 11 . 1 1 7 7 ARG N N 7 121.715 121.715 122.359 -0.644 18692 4231 1 11 . 1 1 7 7 ARG HA H 7 4.156 4.156 4.065 0.091 18692 4232 1 11 . 1 1 7 7 ARG C C 7 177.664 177.664 175.386 2.278 18692 4233 1 11 . 1 1 7 7 ARG CA C 7 56.463 56.463 60.923 -4.460 18692 4234 1 11 . 1 1 7 7 ARG CB C 7 29.315 29.315 28.700 0.615 18692 4235 1 11 . 1 1 7 7 ARG H H 7 8.293 8.293 7.847 0.446 18692 4236 1 11 . 1 1 8 8 PRO HA H 8 4.365 4.365 4.350 0.015 18692 4237 1 11 . 1 1 8 8 PRO C C 8 178.886 178.886 176.723 2.163 18692 4238 1 11 . 1 1 8 8 PRO CA C 8 65.193 65.193 63.269 1.925 18692 4239 1 11 . 1 1 8 8 PRO CB C 8 31.566 31.566 31.680 -0.114 18692 4240 1 11 . 1 1 9 9 LEU N N 9 114.107 114.107 120.517 -6.410 18692 4241 1 11 . 1 1 9 9 LEU HA H 9 4.175 4.175 4.354 -0.179 18692 4242 1 11 . 1 1 9 9 LEU C C 9 178.897 178.897 175.998 2.899 18692 4243 1 11 . 1 1 9 9 LEU CA C 9 54.878 54.878 54.877 0.001 18692 4244 1 11 . 1 1 9 9 LEU CB C 9 41.222 41.222 43.709 -2.486 18692 4245 1 11 . 1 1 9 9 LEU H H 9 7.310 7.310 7.327 -0.017 18692 4246 1 11 . 1 1 10 10 LYS N N 10 116.563 116.563 119.227 -2.664 18692 4247 1 11 . 1 1 10 10 LYS HA H 10 3.823 3.823 4.448 -0.625 18692 4248 1 11 . 1 1 10 10 LYS C C 10 178.805 178.805 176.025 2.780 18692 4249 1 11 . 1 1 10 10 LYS CA C 10 57.693 57.693 54.529 3.164 18692 4250 1 11 . 1 1 10 10 LYS CB C 10 34.124 34.124 33.874 0.250 18692 4251 1 11 . 1 1 10 10 LYS H H 10 8.132 8.132 8.168 -0.036 18692 4252 1 11 . 1 1 11 11 ALA N N 11 124.134 124.134 123.162 0.972 18692 4253 1 11 . 1 1 11 11 ALA HA H 11 4.399 4.399 3.930 0.469 18692 4254 1 11 . 1 1 11 11 ALA C C 11 178.877 178.877 178.379 0.498 18692 4255 1 11 . 1 1 11 11 ALA CA C 11 53.292 53.292 52.321 0.971 18692 4256 1 11 . 1 1 11 11 ALA CB C 11 19.310 19.310 18.669 0.641 18692 4257 1 11 . 1 1 11 11 ALA H H 11 8.239 8.239 8.384 -0.145 18692 4258 1 11 . 1 1 12 12 GLY N N 12 108.661 108.661 111.758 -3.097 18692 4259 1 11 . 1 1 12 12 GLY C C 12 178.614 178.614 175.248 3.366 18692 4260 1 11 . 1 1 12 12 GLY CA C 12 47.640 47.640 45.677 1.963 18692 4261 1 11 . 1 1 12 12 GLY H H 12 8.186 8.186 8.915 -0.729 18692 4262 1 11 . 1 1 13 13 ILE N N 13 123.465 123.465 124.179 -0.714 18692 4263 1 11 . 1 1 13 13 ILE HA H 13 4.150 4.150 4.258 -0.108 18692 4264 1 11 . 1 1 13 13 ILE C C 13 177.234 177.234 176.686 0.548 18692 4265 1 11 . 1 1 13 13 ILE CA C 13 60.500 60.500 62.514 -2.014 18692 4266 1 11 . 1 1 13 13 ILE CB C 13 36.970 36.970 38.509 -1.539 18692 4267 1 11 . 1 1 13 13 ILE H H 13 8.309 8.309 7.401 0.908 18692 4268 1 11 . 1 1 14 14 PHE N N 14 119.560 119.560 120.355 -0.795 18692 4269 1 11 . 1 1 14 14 PHE HA H 14 3.354 3.354 4.163 -0.809 18692 4270 1 11 . 1 1 14 14 PHE C C 14 179.301 179.301 176.720 2.581 18692 4271 1 11 . 1 1 14 14 PHE CA C 14 63.883 63.883 61.277 2.606 18692 4272 1 11 . 1 1 14 14 PHE CB C 14 37.608 37.608 37.887 -0.279 18692 4273 1 11 . 1 1 14 14 PHE H H 14 7.801 7.801 8.120 -0.319 18692 4274 1 11 . 1 1 15 15 GLU N N 15 121.567 121.567 119.894 1.673 18692 4275 1 11 . 1 1 15 15 GLU HA H 15 4.260 4.260 3.416 0.844 18692 4276 1 11 . 1 1 15 15 GLU C C 15 181.428 181.428 177.704 3.724 18692 4277 1 11 . 1 1 15 15 GLU CA C 15 60.579 60.579 58.273 2.307 18692 4278 1 11 . 1 1 15 15 GLU CB C 15 28.158 28.158 28.777 -0.619 18692 4279 1 11 . 1 1 15 15 GLU H H 15 8.331 8.331 8.110 0.221 18692 4280 1 11 . 1 1 16 16 ARG N N 16 121.602 121.602 119.284 2.318 18692 4281 1 11 . 1 1 16 16 ARG HA H 16 4.104 4.104 3.691 0.413 18692 4282 1 11 . 1 1 16 16 ARG C C 16 179.418 179.418 178.909 0.509 18692 4283 1 11 . 1 1 16 16 ARG CA C 16 56.877 56.877 59.002 -2.125 18692 4284 1 11 . 1 1 16 16 ARG CB C 16 29.397 29.397 29.824 -0.427 18692 4285 1 11 . 1 1 16 16 ARG H H 16 8.240 8.240 7.675 0.565 18692 4286 1 11 . 1 1 17 17 LEU N N 17 119.769 119.769 119.806 -0.037 18692 4287 1 11 . 1 1 17 17 LEU HA H 17 3.619 3.619 4.059 -0.440 18692 4288 1 11 . 1 1 17 17 LEU C C 17 179.136 179.136 177.900 1.236 18692 4289 1 11 . 1 1 17 17 LEU CA C 17 59.104 59.104 56.978 2.126 18692 4290 1 11 . 1 1 17 17 LEU CB C 17 42.770 42.770 41.221 1.550 18692 4291 1 11 . 1 1 17 17 LEU H H 17 8.134 8.134 8.390 -0.256 18692 4292 1 11 . 1 1 18 18 GLU N N 18 115.547 115.547 118.462 -2.915 18692 4293 1 11 . 1 1 18 18 GLU HA H 18 3.889 3.889 3.334 0.555 18692 4294 1 11 . 1 1 18 18 GLU C C 18 179.643 179.643 178.175 1.468 18692 4295 1 11 . 1 1 18 18 GLU CA C 18 59.929 59.929 59.445 0.484 18692 4296 1 11 . 1 1 18 18 GLU CB C 18 29.170 29.170 28.852 0.317 18692 4297 1 11 . 1 1 18 18 GLU H H 18 7.674 7.674 7.547 0.127 18692 4298 1 11 . 1 1 19 19 GLU N N 19 119.211 119.211 118.888 0.323 18692 4299 1 11 . 1 1 19 19 GLU HA H 19 4.047 4.047 4.002 0.045 18692 4300 1 11 . 1 1 19 19 GLU C C 19 180.374 180.374 178.097 2.277 18692 4301 1 11 . 1 1 19 19 GLU CA C 19 59.441 59.441 58.407 1.034 18692 4302 1 11 . 1 1 19 19 GLU CB C 19 30.269 30.269 29.453 0.816 18692 4303 1 11 . 1 1 19 19 GLU H H 19 7.782 7.782 7.290 0.492 18692 4304 1 11 . 1 1 20 20 LEU N N 20 119.264 119.264 120.062 -0.798 18692 4305 1 11 . 1 1 20 20 LEU HA H 20 3.761 3.761 3.931 -0.170 18692 4306 1 11 . 1 1 20 20 LEU C C 20 181.666 181.666 178.883 2.783 18692 4307 1 11 . 1 1 20 20 LEU CA C 20 57.862 57.862 57.801 0.061 18692 4308 1 11 . 1 1 20 20 LEU CB C 20 42.111 42.111 41.963 0.148 18692 4309 1 11 . 1 1 20 20 LEU H H 20 8.507 8.507 7.093 1.414 18692 4310 1 11 . 1 1 21 21 ILE N N 21 117.879 117.879 117.638 0.241 18692 4311 1 11 . 1 1 21 21 ILE HA H 21 3.697 3.697 3.813 -0.116 18692 4312 1 11 . 1 1 21 21 ILE C C 21 181.696 181.696 176.978 4.718 18692 4313 1 11 . 1 1 21 21 ILE CA C 21 65.174 65.174 61.825 3.349 18692 4314 1 11 . 1 1 21 21 ILE CB C 21 38.420 38.420 37.877 0.543 18692 4315 1 11 . 1 1 21 21 ILE H H 21 7.750 7.750 6.999 0.751 18692 4316 1 11 . 1 1 22 22 GLU N N 22 116.656 116.656 120.278 -3.622 18692 4317 1 11 . 1 1 22 22 GLU HA H 22 3.891 3.891 3.899 -0.008 18692 4318 1 11 . 1 1 22 22 GLU C C 22 180.424 180.424 178.434 1.990 18692 4319 1 11 . 1 1 22 22 GLU CA C 22 59.864 59.864 59.767 0.097 18692 4320 1 11 . 1 1 22 22 GLU CB C 22 30.047 30.047 29.364 0.683 18692 4321 1 11 . 1 1 22 22 GLU H H 22 8.203 8.203 7.537 0.666 18692 4322 1 11 . 1 1 23 23 LYS N N 23 113.426 113.426 117.715 -4.289 18692 4323 1 11 . 1 1 23 23 LYS HA H 23 4.392 4.392 4.026 0.366 18692 4324 1 11 . 1 1 23 23 LYS C C 23 180.639 180.639 179.379 1.260 18692 4325 1 11 . 1 1 23 23 LYS CA C 23 57.952 57.952 59.187 -1.235 18692 4326 1 11 . 1 1 23 23 LYS CB C 23 34.655 34.655 32.181 2.474 18692 4327 1 11 . 1 1 23 23 LYS H H 23 8.713 8.713 7.437 1.276 18692 4328 1 11 . 1 1 24 24 GLU N N 24 115.943 115.943 118.655 -2.712 18692 4329 1 11 . 1 1 24 24 GLU HA H 24 4.730 4.730 4.121 0.609 18692 4330 1 11 . 1 1 24 24 GLU C C 24 177.407 177.407 177.029 0.378 18692 4331 1 11 . 1 1 24 24 GLU CA C 24 56.241 56.241 57.506 -1.265 18692 4332 1 11 . 1 1 24 24 GLU CB C 24 30.664 30.664 30.023 0.641 18692 4333 1 11 . 1 1 24 24 GLU H H 24 8.225 8.225 7.656 0.569 18692 4334 1 11 . 1 1 25 25 MET N N 25 115.075 115.075 118.258 -3.183 18692 4335 1 11 . 1 1 25 25 MET HA H 25 4.832 4.832 4.352 0.480 18692 4336 1 11 . 1 1 25 25 MET C C 25 177.286 177.286 175.850 1.436 18692 4337 1 11 . 1 1 25 25 MET CA C 25 55.022 55.022 55.889 -0.867 18692 4338 1 11 . 1 1 25 25 MET CB C 25 37.416 37.416 33.169 4.247 18692 4339 1 11 . 1 1 25 25 MET H H 25 6.860 6.860 7.250 -0.391 18692 4340 1 11 . 1 1 26 26 GLN N N 26 122.801 122.801 121.501 1.300 18692 4341 1 11 . 1 1 26 26 GLN HA H 26 4.345 4.345 4.315 0.030 18692 4342 1 11 . 1 1 26 26 GLN C C 26 175.718 175.718 175.965 -0.247 18692 4343 1 11 . 1 1 26 26 GLN CA C 26 52.909 52.909 56.454 -3.545 18692 4344 1 11 . 1 1 26 26 GLN CB C 26 28.417 28.417 28.770 -0.353 18692 4345 1 11 . 1 1 26 26 GLN H H 26 9.264 9.264 8.574 0.690 18692 4346 1 11 . 1 1 27 27 PRO HA H 27 3.915 3.915 4.311 -0.396 18692 4347 1 11 . 1 1 27 27 PRO C C 27 177.450 177.450 175.821 1.629 18692 4348 1 11 . 1 1 27 27 PRO CA C 27 64.908 64.908 64.814 0.093 18692 4349 1 11 . 1 1 27 27 PRO CB C 27 31.265 31.265 32.264 -0.999 18692 4350 1 11 . 1 1 28 28 ASN N N 28 118.995 118.995 113.885 5.110 18692 4351 1 11 . 1 1 28 28 ASN HA H 28 4.475 4.475 5.175 -0.700 18692 4352 1 11 . 1 1 28 28 ASN C C 28 179.421 179.421 174.275 5.146 18692 4353 1 11 . 1 1 28 28 ASN CA C 28 55.368 55.368 52.522 2.846 18692 4354 1 11 . 1 1 28 28 ASN CB C 28 38.967 38.967 39.937 -0.970 18692 4355 1 11 . 1 1 28 28 ASN H H 28 8.458 8.458 8.166 0.292 18692 4356 1 11 . 1 1 29 29 GLU N N 29 123.128 123.128 120.197 2.931 18692 4357 1 11 . 1 1 29 29 GLU HA H 29 4.291 4.291 4.594 -0.303 18692 4358 1 11 . 1 1 29 29 GLU C C 29 175.883 175.883 174.398 1.485 18692 4359 1 11 . 1 1 29 29 GLU CA C 29 56.876 56.876 54.652 2.224 18692 4360 1 11 . 1 1 29 29 GLU CB C 29 31.863 31.863 33.263 -1.400 18692 4361 1 11 . 1 1 29 29 GLU H H 29 8.294 8.294 7.809 0.485 18692 4362 1 11 . 1 1 30 30 VAL N N 30 123.635 123.635 119.454 4.181 18692 4363 1 11 . 1 1 30 30 VAL HA H 30 5.293 5.293 4.696 0.597 18692 4364 1 11 . 1 1 30 30 VAL C C 30 177.201 177.201 174.753 2.448 18692 4365 1 11 . 1 1 30 30 VAL CA C 30 60.562 60.562 59.950 0.612 18692 4366 1 11 . 1 1 30 30 VAL CB C 30 33.419 33.419 33.538 -0.119 18692 4367 1 11 . 1 1 30 30 VAL H H 30 8.067 8.067 8.381 -0.314 18692 4368 1 11 . 1 1 31 31 ALA N N 31 127.391 127.391 130.018 -2.627 18692 4369 1 11 . 1 1 31 31 ALA HA H 31 4.919 4.919 4.931 -0.012 18692 4370 1 11 . 1 1 31 31 ALA C C 31 176.179 176.179 176.045 0.134 18692 4371 1 11 . 1 1 31 31 ALA CA C 31 51.470 51.470 50.030 1.440 18692 4372 1 11 . 1 1 31 31 ALA CB C 31 24.772 24.772 21.261 3.511 18692 4373 1 11 . 1 1 31 31 ALA H H 31 9.086 9.086 8.254 0.832 18692 4374 1 11 . 1 1 32 32 ILE N N 32 118.468 118.468 125.790 -7.322 18692 4375 1 11 . 1 1 32 32 ILE HA H 32 5.102 5.102 4.400 0.702 18692 4376 1 11 . 1 1 32 32 ILE C C 32 176.300 176.300 174.670 1.630 18692 4377 1 11 . 1 1 32 32 ILE CA C 32 59.604 59.604 60.787 -1.183 18692 4378 1 11 . 1 1 32 32 ILE CB C 32 41.416 41.416 38.654 2.762 18692 4379 1 11 . 1 1 32 32 ILE H H 32 8.175 8.175 7.978 0.197 18692 4380 1 11 . 1 1 33 33 PHE N N 33 123.926 123.926 127.638 -3.712 18692 4381 1 11 . 1 1 33 33 PHE HA H 33 5.407 5.407 5.554 -0.147 18692 4382 1 11 . 1 1 33 33 PHE C C 33 176.695 176.695 175.915 0.780 18692 4383 1 11 . 1 1 33 33 PHE CA C 33 56.627 56.627 55.167 1.460 18692 4384 1 11 . 1 1 33 33 PHE CB C 33 41.583 41.583 39.618 1.964 18692 4385 1 11 . 1 1 33 33 PHE H H 33 9.277 9.277 8.904 0.373 18692 4386 1 11 . 1 1 34 34 MET N N 34 120.519 120.519 125.493 -4.974 18692 4387 1 11 . 1 1 34 34 MET HA H 34 5.517 5.517 5.383 0.134 18692 4388 1 11 . 1 1 34 34 MET C C 34 177.123 177.123 174.892 2.231 18692 4389 1 11 . 1 1 34 34 MET CA C 34 53.515 53.515 55.571 -2.056 18692 4390 1 11 . 1 1 34 34 MET CB C 34 36.447 36.447 34.927 1.520 18692 4391 1 11 . 1 1 34 34 MET H H 34 8.606 8.606 8.837 -0.231 18692 4392 1 11 . 1 1 35 35 PHE N N 35 118.119 118.119 121.939 -3.820 18692 4393 1 11 . 1 1 35 35 PHE HA H 35 4.642 4.642 5.178 -0.536 18692 4394 1 11 . 1 1 35 35 PHE C C 35 175.188 175.188 174.053 1.135 18692 4395 1 11 . 1 1 35 35 PHE CA C 35 56.100 56.100 55.910 0.190 18692 4396 1 11 . 1 1 35 35 PHE CB C 35 41.450 41.450 40.919 0.531 18692 4397 1 11 . 1 1 35 35 PHE H H 35 8.832 8.832 8.975 -0.143 18692 4398 1 11 . 1 1 36 36 GLU N N 36 120.598 120.598 123.049 -2.451 18692 4399 1 11 . 1 1 36 36 GLU HA H 36 4.890 4.890 4.283 0.607 18692 4400 1 11 . 1 1 36 36 GLU C C 36 179.258 179.258 175.421 3.837 18692 4401 1 11 . 1 1 36 36 GLU CA C 36 57.184 57.184 56.209 0.975 18692 4402 1 11 . 1 1 36 36 GLU CB C 36 30.844 30.844 29.976 0.869 18692 4403 1 11 . 1 1 36 36 GLU H H 36 9.421 9.421 8.869 0.552 18692 4404 1 11 . 1 1 37 37 VAL N N 37 122.817 122.817 120.034 2.783 18692 4405 1 11 . 1 1 37 37 VAL HA H 37 4.230 4.230 4.230 -0.000 18692 4406 1 11 . 1 1 37 37 VAL C C 37 176.550 176.550 177.429 -0.879 18692 4407 1 11 . 1 1 37 37 VAL CA C 37 65.923 65.923 62.238 3.685 18692 4408 1 11 . 1 1 37 37 VAL H H 37 9.005 9.005 7.489 1.516 18692 4409 1 11 . 1 1 38 38 GLY N N 38 109.660 109.660 111.512 -1.852 18692 4410 1 11 . 1 1 38 38 GLY C C 38 173.860 173.860 173.478 0.382 18692 4411 1 11 . 1 1 38 38 GLY CA C 38 44.560 44.560 45.059 -0.499 18692 4412 1 11 . 1 1 38 38 GLY H H 38 8.440 8.440 8.740 -0.300 18692 4413 1 11 . 1 1 39 39 ASP N N 39 119.440 119.440 124.358 -4.918 18692 4414 1 11 . 1 1 39 39 ASP HA H 39 4.910 4.910 4.663 0.247 18692 4415 1 11 . 1 1 39 39 ASP C C 39 177.550 177.550 175.300 2.250 18692 4416 1 11 . 1 1 39 39 ASP CA C 39 54.420 54.420 53.897 0.523 18692 4417 1 11 . 1 1 39 39 ASP CB C 39 37.150 37.150 42.819 -5.669 18692 4418 1 11 . 1 1 39 39 ASP H H 39 8.330 8.330 8.035 0.295 18692 4419 1 11 . 1 1 40 40 PHE N N 40 123.361 123.361 121.120 2.241 18692 4420 1 11 . 1 1 40 40 PHE HA H 40 4.620 4.620 4.205 0.415 18692 4421 1 11 . 1 1 40 40 PHE CA C 40 56.250 56.250 58.333 -2.083 18692 4422 1 11 . 1 1 40 40 PHE CB C 40 36.150 36.150 39.090 -2.940 18692 4423 1 11 . 1 1 40 40 PHE H H 40 7.949 7.949 7.758 0.191 18692 4424 1 11 . 1 1 41 41 SER N N 41 121.483 121.483 116.016 5.467 18692 4425 1 11 . 1 1 41 41 SER HA H 41 4.492 4.492 3.996 0.496 18692 4426 1 11 . 1 1 41 41 SER C C 41 174.554 174.554 175.150 -0.596 18692 4427 1 11 . 1 1 41 41 SER CA C 41 59.660 59.660 59.772 -0.112 18692 4428 1 11 . 1 1 41 41 SER CB C 41 63.220 63.220 62.532 0.688 18692 4429 1 11 . 1 1 41 41 SER H H 41 8.519 8.519 7.555 0.964 18692 4430 1 11 . 1 1 42 42 ASN N N 42 118.920 118.920 118.469 0.451 18692 4431 1 11 . 1 1 42 42 ASN HA H 42 4.910 4.910 4.645 0.265 18692 4432 1 11 . 1 1 42 42 ASN CA C 42 53.490 53.490 54.478 -0.988 18692 4433 1 11 . 1 1 42 42 ASN CB C 42 38.120 38.120 38.741 -0.621 18692 4434 1 11 . 1 1 42 42 ASN H H 42 8.330 8.330 7.935 0.395 18692 4435 1 11 . 1 1 43 43 ILE N N 43 121.540 121.540 121.738 -0.198 18692 4436 1 11 . 1 1 43 43 ILE HA H 43 4.180 4.180 3.835 0.345 18692 4437 1 11 . 1 1 43 43 ILE CA C 43 60.110 60.110 65.823 -5.713 18692 4438 1 11 . 1 1 43 43 ILE CB C 43 38.440 38.440 35.194 3.246 18692 4439 1 11 . 1 1 43 43 ILE H H 43 8.293 8.293 7.410 0.883 18692 4440 1 11 . 1 1 44 44 PRO HA H 44 4.461 4.461 4.383 0.078 18692 4441 1 11 . 1 1 44 44 PRO C C 44 176.465 176.465 178.628 -2.163 18692 4442 1 11 . 1 1 44 44 PRO CA C 44 65.358 65.358 65.360 -0.002 18692 4443 1 11 . 1 1 44 44 PRO CB C 44 30.441 30.441 31.075 -0.633 18692 4444 1 11 . 1 1 45 45 LYS N N 45 116.236 116.236 118.919 -2.683 18692 4445 1 11 . 1 1 45 45 LYS HA H 45 4.128 4.128 4.013 0.115 18692 4446 1 11 . 1 1 45 45 LYS C C 45 181.467 181.467 178.625 2.842 18692 4447 1 11 . 1 1 45 45 LYS CA C 45 59.712 59.712 59.492 0.220 18692 4448 1 11 . 1 1 45 45 LYS CB C 45 33.281 33.281 32.036 1.245 18692 4449 1 11 . 1 1 45 45 LYS H H 45 7.270 7.270 8.019 -0.749 18692 4450 1 11 . 1 1 46 46 SER N N 46 116.059 116.059 115.253 0.806 18692 4451 1 11 . 1 1 46 46 SER HA H 46 4.080 4.080 4.205 -0.125 18692 4452 1 11 . 1 1 46 46 SER C C 46 177.432 177.432 176.813 0.619 18692 4453 1 11 . 1 1 46 46 SER CA C 46 63.202 63.202 61.182 2.020 18692 4454 1 11 . 1 1 46 46 SER CB C 46 62.118 62.118 62.700 -0.582 18692 4455 1 11 . 1 1 46 46 SER H H 46 8.293 8.293 7.606 0.687 18692 4456 1 11 . 1 1 47 47 ALA N N 47 126.579 126.579 124.312 2.267 18692 4457 1 11 . 1 1 47 47 ALA HA H 47 4.128 4.128 4.246 -0.118 18692 4458 1 11 . 1 1 47 47 ALA C C 47 181.528 181.528 178.326 3.202 18692 4459 1 11 . 1 1 47 47 ALA CA C 47 55.704 55.704 54.358 1.347 18692 4460 1 11 . 1 1 47 47 ALA CB C 47 18.326 18.326 18.220 0.106 18692 4461 1 11 . 1 1 47 47 ALA H H 47 6.990 6.990 7.743 -0.753 18692 4462 1 11 . 1 1 48 48 GLU N N 48 117.980 117.980 117.843 0.137 18692 4463 1 11 . 1 1 48 48 GLU HA H 48 4.062 4.062 3.311 0.751 18692 4464 1 11 . 1 1 48 48 GLU C C 48 180.822 180.822 178.557 2.265 18692 4465 1 11 . 1 1 48 48 GLU CA C 48 59.100 59.100 57.674 1.426 18692 4466 1 11 . 1 1 48 48 GLU CB C 48 29.770 29.770 29.433 0.337 18692 4467 1 11 . 1 1 48 48 GLU H H 48 7.863 7.863 7.371 0.492 18692 4468 1 11 . 1 1 49 49 PHE N N 49 122.179 122.179 118.567 3.612 18692 4469 1 11 . 1 1 49 49 PHE HA H 49 4.117 4.117 4.153 -0.036 18692 4470 1 11 . 1 1 49 49 PHE C C 49 179.580 179.580 176.921 2.659 18692 4471 1 11 . 1 1 49 49 PHE CA C 49 57.813 57.813 60.689 -2.876 18692 4472 1 11 . 1 1 49 49 PHE CB C 49 41.695 41.695 39.066 2.628 18692 4473 1 11 . 1 1 49 49 PHE H H 49 8.341 8.341 7.636 0.705 18692 4474 1 11 . 1 1 50 50 ILE N N 50 117.469 117.469 116.277 1.192 18692 4475 1 11 . 1 1 50 50 ILE HA H 50 3.533 3.533 4.021 -0.488 18692 4476 1 11 . 1 1 50 50 ILE C C 50 179.698 179.698 176.262 3.436 18692 4477 1 11 . 1 1 50 50 ILE CA C 50 62.884 62.884 62.075 0.809 18692 4478 1 11 . 1 1 50 50 ILE CB C 50 36.669 36.669 37.845 -1.176 18692 4479 1 11 . 1 1 50 50 ILE H H 50 8.322 8.322 7.249 1.073 18692 4480 1 11 . 1 1 51 51 GLN N N 51 117.190 117.190 117.120 0.070 18692 4481 1 11 . 1 1 51 51 GLN HA H 51 4.261 4.261 4.409 -0.148 18692 4482 1 11 . 1 1 51 51 GLN C C 51 182.627 182.627 175.539 7.088 18692 4483 1 11 . 1 1 51 51 GLN CA C 51 58.862 58.862 55.527 3.335 18692 4484 1 11 . 1 1 51 51 GLN CB C 51 28.451 28.451 31.486 -3.035 18692 4485 1 11 . 1 1 51 51 GLN H H 51 7.887 7.887 7.354 0.533 18692 4486 1 11 . 1 1 52 52 SER N N 52 117.670 117.670 118.275 -0.605 18692 4487 1 11 . 1 1 52 52 SER HA H 52 4.137 4.137 4.212 -0.075 18692 4488 1 11 . 1 1 52 52 SER CA C 52 61.401 61.401 60.423 0.978 18692 4489 1 11 . 1 1 52 52 SER CB C 52 62.615 62.615 63.408 -0.793 18692 4490 1 11 . 1 1 52 52 SER H H 52 8.556 8.556 8.510 0.046 18692 4491 1 11 . 1 1 53 53 LYS N N 53 119.008 119.008 119.891 -0.883 18692 4492 1 11 . 1 1 53 53 LYS HA H 53 4.170 4.170 4.339 -0.169 18692 4493 1 11 . 1 1 53 53 LYS C C 53 177.911 177.911 175.906 2.005 18692 4494 1 11 . 1 1 53 53 LYS CA C 53 54.662 54.662 56.342 -1.679 18692 4495 1 11 . 1 1 53 53 LYS CB C 53 32.652 32.652 34.138 -1.486 18692 4496 1 11 . 1 1 53 53 LYS H H 53 7.064 7.064 7.630 -0.566 18692 4497 1 11 . 1 1 54 54 GLY N N 54 105.188 105.188 112.321 -7.133 18692 4498 1 11 . 1 1 54 54 GLY C C 54 175.528 175.528 173.542 1.986 18692 4499 1 11 . 1 1 54 54 GLY CA C 54 45.118 45.118 45.345 -0.227 18692 4500 1 11 . 1 1 54 54 GLY H H 54 7.548 7.548 8.704 -1.156 18692 4501 1 11 . 1 1 55 55 HIS N N 55 118.294 118.294 119.283 -0.989 18692 4502 1 11 . 1 1 55 55 HIS HA H 55 4.947 4.947 5.395 -0.448 18692 4503 1 11 . 1 1 55 55 HIS C C 55 175.240 175.240 173.667 1.573 18692 4504 1 11 . 1 1 55 55 HIS CA C 55 54.847 54.847 53.650 1.197 18692 4505 1 11 . 1 1 55 55 HIS CB C 55 31.315 31.315 30.461 0.854 18692 4506 1 11 . 1 1 55 55 HIS H H 55 6.998 6.998 8.000 -1.002 18692 4507 1 11 . 1 1 56 56 GLU N N 56 118.205 118.205 124.938 -6.733 18692 4508 1 11 . 1 1 56 56 GLU HA H 56 4.666 4.666 4.531 0.135 18692 4509 1 11 . 1 1 56 56 GLU C C 56 176.766 176.766 174.815 1.951 18692 4510 1 11 . 1 1 56 56 GLU CA C 56 55.162 55.162 54.845 0.317 18692 4511 1 11 . 1 1 56 56 GLU CB C 56 33.110 33.110 33.148 -0.038 18692 4512 1 11 . 1 1 56 56 GLU H H 56 8.509 8.509 8.095 0.414 18692 4513 1 11 . 1 1 57 57 LEU N N 57 127.769 127.769 126.460 1.309 18692 4514 1 11 . 1 1 57 57 LEU HA H 57 4.786 4.786 4.824 -0.038 18692 4515 1 11 . 1 1 57 57 LEU C C 57 177.854 177.854 177.669 0.185 18692 4516 1 11 . 1 1 57 57 LEU CA C 57 53.780 53.780 53.747 0.033 18692 4517 1 11 . 1 1 57 57 LEU CB C 57 42.676 42.676 40.446 2.230 18692 4518 1 11 . 1 1 57 57 LEU H H 57 8.978 8.978 8.795 0.183 18692 4519 1 11 . 1 1 58 58 LEU N N 58 128.364 128.364 124.727 3.637 18692 4520 1 11 . 1 1 58 58 LEU HA H 58 4.402 4.402 4.031 0.371 18692 4521 1 11 . 1 1 58 58 LEU C C 58 179.469 179.469 177.255 2.214 18692 4522 1 11 . 1 1 58 58 LEU CA C 58 56.534 56.534 57.534 -1.000 18692 4523 1 11 . 1 1 58 58 LEU CB C 58 42.371 42.371 42.656 -0.285 18692 4524 1 11 . 1 1 58 58 LEU H H 58 9.128 9.128 8.040 1.088 18692 4525 1 11 . 1 1 59 59 ASN N N 59 113.622 113.622 114.563 -0.941 18692 4526 1 11 . 1 1 59 59 ASN HA H 59 4.918 4.918 4.897 0.021 18692 4527 1 11 . 1 1 59 59 ASN C C 59 175.560 175.560 174.424 1.136 18692 4528 1 11 . 1 1 59 59 ASN CA C 59 52.389 52.389 52.305 0.084 18692 4529 1 11 . 1 1 59 59 ASN CB C 59 41.887 41.887 40.629 1.258 18692 4530 1 11 . 1 1 59 59 ASN H H 59 7.574 7.574 7.802 -0.228 18692 4531 1 11 . 1 1 60 60 SER N N 60 118.134 118.134 119.365 -1.231 18692 4532 1 11 . 1 1 60 60 SER HA H 60 4.045 4.045 4.359 -0.314 18692 4533 1 11 . 1 1 60 60 SER CA C 60 56.925 56.925 58.808 -1.883 18692 4534 1 11 . 1 1 60 60 SER CB C 60 63.649 63.649 64.009 -0.360 18692 4535 1 11 . 1 1 60 60 SER H H 60 8.436 8.436 8.494 -0.058 18692 4536 1 11 . 1 1 61 61 LEU N N 61 128.266 128.266 117.235 11.031 18692 4537 1 11 . 1 1 61 61 LEU HA H 61 4.219 4.219 5.039 -0.820 18692 4538 1 11 . 1 1 61 61 LEU CA C 61 55.106 55.106 54.371 0.735 18692 4539 1 11 . 1 1 61 61 LEU CB C 61 44.577 44.577 43.209 1.368 18692 4540 1 11 . 1 1 61 61 LEU H H 61 8.725 8.725 8.389 0.336 18692 4541 1 11 . 1 1 62 62 ARG N N 62 122.383 122.383 123.240 -0.857 18692 4542 1 11 . 1 1 62 62 ARG HA H 62 4.312 4.312 4.135 0.177 18692 4543 1 11 . 1 1 62 62 ARG C C 62 176.560 176.560 176.197 0.363 18692 4544 1 11 . 1 1 62 62 ARG CA C 62 57.290 57.290 55.056 2.234 18692 4545 1 11 . 1 1 62 62 ARG CB C 62 30.828 30.828 27.313 3.515 18692 4546 1 11 . 1 1 62 62 ARG H H 62 7.303 7.303 9.129 -1.826 18692 4547 1 11 . 1 1 63 63 PHE N N 63 120.560 120.560 123.235 -2.675 18692 4548 1 11 . 1 1 63 63 PHE HA H 63 4.613 4.613 4.370 0.243 18692 4549 1 11 . 1 1 63 63 PHE CA C 63 61.377 61.377 60.599 0.778 18692 4550 1 11 . 1 1 63 63 PHE CB C 63 39.908 39.908 39.186 0.722 18692 4551 1 11 . 1 1 63 63 PHE H H 63 8.321 8.321 8.177 0.144 18692 4552 1 11 . 1 1 64 64 ASN N N 64 117.616 117.616 115.654 1.962 18692 4553 1 11 . 1 1 64 64 ASN HA H 64 4.377 4.377 3.677 0.700 18692 4554 1 11 . 1 1 64 64 ASN C C 64 176.642 176.642 175.672 0.970 18692 4555 1 11 . 1 1 64 64 ASN CA C 64 53.465 53.465 54.494 -1.029 18692 4556 1 11 . 1 1 64 64 ASN CB C 64 37.450 37.450 38.147 -0.697 18692 4557 1 11 . 1 1 64 64 ASN H H 64 8.101 8.101 8.348 -0.247 18692 4558 1 11 . 1 1 65 65 GLN N N 65 115.548 115.548 118.626 -3.078 18692 4559 1 11 . 1 1 65 65 GLN HA H 65 4.275 4.275 4.303 -0.028 18692 4560 1 11 . 1 1 65 65 GLN C C 65 178.411 178.411 174.708 3.703 18692 4561 1 11 . 1 1 65 65 GLN CA C 65 59.127 59.127 55.234 3.893 18692 4562 1 11 . 1 1 65 65 GLN CB C 65 28.650 28.650 30.161 -1.511 18692 4563 1 11 . 1 1 65 65 GLN H H 65 8.330 8.330 7.492 0.838 18692 4564 1 11 . 1 1 66 66 ALA N N 66 120.802 120.802 121.854 -1.052 18692 4565 1 11 . 1 1 66 66 ALA HA H 66 4.652 4.652 4.262 0.390 18692 4566 1 11 . 1 1 66 66 ALA C C 66 178.893 178.893 177.015 1.878 18692 4567 1 11 . 1 1 66 66 ALA CA C 66 52.751 52.751 52.075 0.676 18692 4568 1 11 . 1 1 66 66 ALA CB C 66 21.705 21.705 19.497 2.208 18692 4569 1 11 . 1 1 66 66 ALA H H 66 8.346 8.346 8.200 0.146 18692 4570 1 11 . 1 1 67 67 ASP N N 67 118.909 118.909 118.766 0.143 18692 4571 1 11 . 1 1 67 67 ASP HA H 67 4.612 4.612 4.353 0.259 18692 4572 1 11 . 1 1 67 67 ASP C C 67 175.639 175.639 175.555 0.084 18692 4573 1 11 . 1 1 67 67 ASP CA C 67 54.726 54.726 54.688 0.038 18692 4574 1 11 . 1 1 67 67 ASP CB C 67 45.152 45.152 39.746 5.406 18692 4575 1 11 . 1 1 67 67 ASP H H 67 8.117 8.117 8.205 -0.088 18692 4576 1 11 . 1 1 68 68 TRP HA H 68 4.477 4.477 4.888 -0.411 18692 4577 1 11 . 1 1 68 68 TRP CA C 68 56.253 56.253 55.687 0.566 18692 4578 1 11 . 1 1 68 68 TRP CB C 68 33.719 33.719 33.343 0.376 18692 4579 1 11 . 1 1 68 68 TRP H H 68 8.310 8.310 7.501 0.809 18692 4580 1 11 . 1 1 69 69 THR N N 69 114.495 114.495 111.022 3.473 18692 4581 1 11 . 1 1 69 69 THR HA H 69 5.605 5.605 4.905 0.700 18692 4582 1 11 . 1 1 69 69 THR C C 69 176.005 176.005 173.028 2.977 18692 4583 1 11 . 1 1 69 69 THR CA C 69 58.855 58.855 60.899 -2.044 18692 4584 1 11 . 1 1 69 69 THR CB C 69 72.755 72.755 71.223 1.532 18692 4585 1 11 . 1 1 69 69 THR H H 69 7.985 7.985 8.169 -0.184 18692 4586 1 11 . 1 1 70 70 ILE N N 70 114.448 114.448 124.838 -10.390 18692 4587 1 11 . 1 1 70 70 ILE HA H 70 5.384 5.384 4.707 0.677 18692 4588 1 11 . 1 1 70 70 ILE C C 70 175.751 175.751 173.913 1.838 18692 4589 1 11 . 1 1 70 70 ILE CA C 70 59.637 59.637 59.045 0.592 18692 4590 1 11 . 1 1 70 70 ILE CB C 70 41.689 41.689 41.788 -0.099 18692 4591 1 11 . 1 1 70 70 ILE H H 70 8.807 8.807 8.284 0.523 18692 4592 1 11 . 1 1 71 71 VAL N N 71 124.084 124.084 126.553 -2.469 18692 4593 1 11 . 1 1 71 71 VAL HA H 71 5.012 5.012 4.662 0.350 18692 4594 1 11 . 1 1 71 71 VAL C C 71 177.625 177.625 174.565 3.060 18692 4595 1 11 . 1 1 71 71 VAL CA C 71 61.647 61.647 60.671 0.976 18692 4596 1 11 . 1 1 71 71 VAL CB C 71 32.482 32.482 32.577 -0.095 18692 4597 1 11 . 1 1 71 71 VAL H H 71 8.500 8.500 8.354 0.146 18692 4598 1 11 . 1 1 72 72 VAL N N 72 127.753 127.753 124.228 3.525 18692 4599 1 11 . 1 1 72 72 VAL HA H 72 5.147 5.147 4.687 0.460 18692 4600 1 11 . 1 1 72 72 VAL C C 72 175.444 175.444 175.173 0.271 18692 4601 1 11 . 1 1 72 72 VAL CA C 72 60.252 60.252 60.416 -0.164 18692 4602 1 11 . 1 1 72 72 VAL CB C 72 37.425 37.425 34.339 3.086 18692 4603 1 11 . 1 1 72 72 VAL H H 72 9.280 9.280 8.348 0.932 18692 4604 1 11 . 1 1 73 73 ARG N N 73 125.839 125.839 126.488 -0.649 18692 4605 1 11 . 1 1 73 73 ARG HA H 73 5.458 5.458 5.215 0.243 18692 4606 1 11 . 1 1 73 73 ARG C C 73 177.981 177.981 175.973 2.008 18692 4607 1 11 . 1 1 73 73 ARG CA C 73 53.788 53.788 54.239 -0.451 18692 4608 1 11 . 1 1 73 73 ARG CB C 73 33.855 33.855 31.754 2.101 18692 4609 1 11 . 1 1 73 73 ARG H H 73 9.194 9.194 8.672 0.522 18692 4610 1 11 . 1 1 74 74 LYS N N 74 129.522 129.522 124.907 4.615 18692 4611 1 11 . 1 1 74 74 LYS HA H 74 4.323 4.323 4.443 -0.120 18692 4612 1 11 . 1 1 74 74 LYS C C 74 178.340 178.340 176.842 1.498 18692 4613 1 11 . 1 1 74 74 LYS CA C 74 55.983 55.983 56.684 -0.701 18692 4614 1 11 . 1 1 74 74 LYS CB C 74 33.103 33.103 33.942 -0.839 18692 4615 1 11 . 1 1 74 74 LYS H H 74 10.930 10.930 8.242 2.688 18692 4616 1 11 . 1 1 75 75 LYS N N 75 131.817 131.817 117.970 13.847 18692 4617 1 11 . 1 1 75 75 LYS HA H 75 4.489 4.489 4.578 -0.089 18692 4618 1 11 . 1 1 75 75 LYS CA C 75 55.927 55.927 56.782 -0.855 18692 4619 1 11 . 1 1 75 75 LYS CB C 75 29.730 29.730 34.333 -4.603 18692 4620 1 11 . 1 1 75 75 LYS H H 75 10.873 10.873 8.593 2.280 18692 4621 1 12 . 1 1 2 2 LYS N N 2 127.399 127.399 120.452 6.947 18692 4622 1 12 . 1 1 2 2 LYS HA H 2 3.954 3.954 4.719 -0.765 18692 4623 1 12 . 1 1 2 2 LYS C C 2 175.826 175.826 174.956 0.870 18692 4624 1 12 . 1 1 2 2 LYS CA C 2 57.475 57.475 55.705 1.770 18692 4625 1 12 . 1 1 2 2 LYS CB C 2 34.009 34.009 33.114 0.895 18692 4626 1 12 . 1 1 2 2 LYS H H 2 9.167 9.167 8.316 0.851 18692 4627 1 12 . 1 1 3 3 ARG N N 3 121.207 121.207 118.483 2.724 18692 4628 1 12 . 1 1 3 3 ARG HA H 3 4.797 4.797 4.849 -0.052 18692 4629 1 12 . 1 1 3 3 ARG C C 3 176.719 176.719 174.112 2.607 18692 4630 1 12 . 1 1 3 3 ARG CA C 3 54.082 54.082 55.299 -1.217 18692 4631 1 12 . 1 1 3 3 ARG CB C 3 32.816 32.816 32.785 0.031 18692 4632 1 12 . 1 1 3 3 ARG H H 3 7.705 7.705 7.731 -0.026 18692 4633 1 12 . 1 1 4 4 PHE N N 4 124.380 124.380 120.956 3.424 18692 4634 1 12 . 1 1 4 4 PHE HA H 4 4.729 4.729 4.813 -0.084 18692 4635 1 12 . 1 1 4 4 PHE C C 4 176.180 176.180 174.019 2.161 18692 4636 1 12 . 1 1 4 4 PHE CA C 4 56.584 56.584 57.032 -0.448 18692 4637 1 12 . 1 1 4 4 PHE CB C 4 41.758 41.758 42.753 -0.995 18692 4638 1 12 . 1 1 4 4 PHE H H 4 8.913 8.913 9.462 -0.549 18692 4639 1 12 . 1 1 5 5 ASP N N 5 123.331 123.331 127.982 -4.651 18692 4640 1 12 . 1 1 5 5 ASP HA H 5 4.390 4.390 4.932 -0.542 18692 4641 1 12 . 1 1 5 5 ASP C C 5 177.524 177.524 175.238 2.286 18692 4642 1 12 . 1 1 5 5 ASP CA C 5 53.344 53.344 54.061 -0.717 18692 4643 1 12 . 1 1 5 5 ASP CB C 5 41.043 41.043 41.359 -0.317 18692 4644 1 12 . 1 1 5 5 ASP H H 5 9.113 9.113 8.607 0.506 18692 4645 1 12 . 1 1 6 6 LEU N N 6 122.540 122.540 125.003 -2.463 18692 4646 1 12 . 1 1 6 6 LEU HA H 6 4.304 4.304 4.470 -0.166 18692 4647 1 12 . 1 1 6 6 LEU CA C 6 55.260 55.260 54.025 1.235 18692 4648 1 12 . 1 1 6 6 LEU CB C 6 42.680 42.680 41.781 0.899 18692 4649 1 12 . 1 1 6 6 LEU H H 6 8.305 8.305 8.421 -0.117 18692 4650 1 12 . 1 1 7 7 ARG N N 7 121.715 121.715 121.562 0.153 18692 4651 1 12 . 1 1 7 7 ARG HA H 7 4.156 4.156 4.085 0.071 18692 4652 1 12 . 1 1 7 7 ARG C C 7 177.664 177.664 175.552 2.112 18692 4653 1 12 . 1 1 7 7 ARG CA C 7 56.463 56.463 60.225 -3.762 18692 4654 1 12 . 1 1 7 7 ARG CB C 7 29.315 29.315 28.649 0.666 18692 4655 1 12 . 1 1 7 7 ARG H H 7 8.293 8.293 8.243 0.050 18692 4656 1 12 . 1 1 8 8 PRO HA H 8 4.365 4.365 4.318 0.047 18692 4657 1 12 . 1 1 8 8 PRO C C 8 178.886 178.886 176.735 2.151 18692 4658 1 12 . 1 1 8 8 PRO CA C 8 65.193 65.193 63.459 1.734 18692 4659 1 12 . 1 1 8 8 PRO CB C 8 31.566 31.566 31.734 -0.168 18692 4660 1 12 . 1 1 9 9 LEU N N 9 114.107 114.107 121.405 -7.298 18692 4661 1 12 . 1 1 9 9 LEU HA H 9 4.175 4.175 4.300 -0.125 18692 4662 1 12 . 1 1 9 9 LEU C C 9 178.897 178.897 176.395 2.502 18692 4663 1 12 . 1 1 9 9 LEU CA C 9 54.878 54.878 54.997 -0.119 18692 4664 1 12 . 1 1 9 9 LEU CB C 9 41.222 41.222 43.416 -2.193 18692 4665 1 12 . 1 1 9 9 LEU H H 9 7.310 7.310 7.105 0.205 18692 4666 1 12 . 1 1 10 10 LYS N N 10 116.563 116.563 122.006 -5.443 18692 4667 1 12 . 1 1 10 10 LYS HA H 10 3.823 3.823 4.283 -0.460 18692 4668 1 12 . 1 1 10 10 LYS C C 10 178.805 178.805 175.770 3.035 18692 4669 1 12 . 1 1 10 10 LYS CA C 10 57.693 57.693 55.226 2.467 18692 4670 1 12 . 1 1 10 10 LYS CB C 10 34.124 34.124 33.594 0.530 18692 4671 1 12 . 1 1 10 10 LYS H H 10 8.132 8.132 8.140 -0.009 18692 4672 1 12 . 1 1 11 11 ALA N N 11 124.134 124.134 123.226 0.908 18692 4673 1 12 . 1 1 11 11 ALA HA H 11 4.399 4.399 3.942 0.457 18692 4674 1 12 . 1 1 11 11 ALA C C 11 178.877 178.877 177.975 0.902 18692 4675 1 12 . 1 1 11 11 ALA CA C 11 53.292 53.292 53.038 0.254 18692 4676 1 12 . 1 1 11 11 ALA CB C 11 19.310 19.310 18.569 0.741 18692 4677 1 12 . 1 1 11 11 ALA H H 11 8.239 8.239 8.351 -0.112 18692 4678 1 12 . 1 1 12 12 GLY N N 12 108.661 108.661 110.770 -2.109 18692 4679 1 12 . 1 1 12 12 GLY C C 12 178.614 178.614 175.304 3.310 18692 4680 1 12 . 1 1 12 12 GLY CA C 12 47.640 47.640 45.768 1.872 18692 4681 1 12 . 1 1 12 12 GLY H H 12 8.186 8.186 9.031 -0.845 18692 4682 1 12 . 1 1 13 13 ILE N N 13 123.465 123.465 123.603 -0.138 18692 4683 1 12 . 1 1 13 13 ILE HA H 13 4.150 4.150 4.147 0.003 18692 4684 1 12 . 1 1 13 13 ILE C C 13 177.234 177.234 176.483 0.751 18692 4685 1 12 . 1 1 13 13 ILE CA C 13 60.500 60.500 62.722 -2.222 18692 4686 1 12 . 1 1 13 13 ILE CB C 13 36.970 36.970 38.625 -1.655 18692 4687 1 12 . 1 1 13 13 ILE H H 13 8.309 8.309 7.279 1.030 18692 4688 1 12 . 1 1 14 14 PHE N N 14 119.560 119.560 120.090 -0.530 18692 4689 1 12 . 1 1 14 14 PHE HA H 14 3.354 3.354 4.147 -0.793 18692 4690 1 12 . 1 1 14 14 PHE C C 14 179.301 179.301 176.760 2.541 18692 4691 1 12 . 1 1 14 14 PHE CA C 14 63.883 63.883 61.161 2.722 18692 4692 1 12 . 1 1 14 14 PHE CB C 14 37.608 37.608 37.856 -0.248 18692 4693 1 12 . 1 1 14 14 PHE H H 14 7.801 7.801 8.034 -0.233 18692 4694 1 12 . 1 1 15 15 GLU N N 15 121.567 121.567 119.209 2.358 18692 4695 1 12 . 1 1 15 15 GLU HA H 15 4.260 4.260 3.460 0.800 18692 4696 1 12 . 1 1 15 15 GLU C C 15 181.428 181.428 177.213 4.215 18692 4697 1 12 . 1 1 15 15 GLU CA C 15 60.579 60.579 57.733 2.846 18692 4698 1 12 . 1 1 15 15 GLU CB C 15 28.158 28.158 28.878 -0.720 18692 4699 1 12 . 1 1 15 15 GLU H H 15 8.331 8.331 8.242 0.089 18692 4700 1 12 . 1 1 16 16 ARG N N 16 121.602 121.602 119.296 2.306 18692 4701 1 12 . 1 1 16 16 ARG HA H 16 4.104 4.104 3.775 0.329 18692 4702 1 12 . 1 1 16 16 ARG C C 16 179.418 179.418 178.576 0.842 18692 4703 1 12 . 1 1 16 16 ARG CA C 16 56.877 56.877 58.450 -1.573 18692 4704 1 12 . 1 1 16 16 ARG CB C 16 29.397 29.397 30.196 -0.799 18692 4705 1 12 . 1 1 16 16 ARG H H 16 8.240 8.240 7.508 0.732 18692 4706 1 12 . 1 1 17 17 LEU N N 17 119.769 119.769 119.725 0.044 18692 4707 1 12 . 1 1 17 17 LEU HA H 17 3.619 3.619 4.113 -0.494 18692 4708 1 12 . 1 1 17 17 LEU C C 17 179.136 179.136 178.016 1.120 18692 4709 1 12 . 1 1 17 17 LEU CA C 17 59.104 59.104 56.951 2.153 18692 4710 1 12 . 1 1 17 17 LEU CB C 17 42.770 42.770 41.526 1.244 18692 4711 1 12 . 1 1 17 17 LEU H H 17 8.134 8.134 8.560 -0.426 18692 4712 1 12 . 1 1 18 18 GLU N N 18 115.547 115.547 118.255 -2.708 18692 4713 1 12 . 1 1 18 18 GLU HA H 18 3.889 3.889 3.310 0.579 18692 4714 1 12 . 1 1 18 18 GLU C C 18 179.643 179.643 178.170 1.473 18692 4715 1 12 . 1 1 18 18 GLU CA C 18 59.929 59.929 59.407 0.522 18692 4716 1 12 . 1 1 18 18 GLU CB C 18 29.170 29.170 28.886 0.284 18692 4717 1 12 . 1 1 18 18 GLU H H 18 7.674 7.674 7.651 0.023 18692 4718 1 12 . 1 1 19 19 GLU N N 19 119.211 119.211 119.154 0.057 18692 4719 1 12 . 1 1 19 19 GLU HA H 19 4.047 4.047 3.993 0.054 18692 4720 1 12 . 1 1 19 19 GLU C C 19 180.374 180.374 178.327 2.047 18692 4721 1 12 . 1 1 19 19 GLU CA C 19 59.441 59.441 58.758 0.683 18692 4722 1 12 . 1 1 19 19 GLU CB C 19 30.269 30.269 29.507 0.762 18692 4723 1 12 . 1 1 19 19 GLU H H 19 7.782 7.782 7.388 0.394 18692 4724 1 12 . 1 1 20 20 LEU N N 20 119.264 119.264 119.831 -0.567 18692 4725 1 12 . 1 1 20 20 LEU HA H 20 3.761 3.761 3.952 -0.191 18692 4726 1 12 . 1 1 20 20 LEU C C 20 181.666 181.666 178.943 2.723 18692 4727 1 12 . 1 1 20 20 LEU CA C 20 57.862 57.862 57.789 0.073 18692 4728 1 12 . 1 1 20 20 LEU CB C 20 42.111 42.111 41.912 0.199 18692 4729 1 12 . 1 1 20 20 LEU H H 20 8.507 8.507 7.155 1.352 18692 4730 1 12 . 1 1 21 21 ILE N N 21 117.879 117.879 117.323 0.556 18692 4731 1 12 . 1 1 21 21 ILE HA H 21 3.697 3.697 3.858 -0.161 18692 4732 1 12 . 1 1 21 21 ILE C C 21 181.696 181.696 176.929 4.767 18692 4733 1 12 . 1 1 21 21 ILE CA C 21 65.174 65.174 62.334 2.840 18692 4734 1 12 . 1 1 21 21 ILE CB C 21 38.420 38.420 37.830 0.590 18692 4735 1 12 . 1 1 21 21 ILE H H 21 7.750 7.750 6.993 0.757 18692 4736 1 12 . 1 1 22 22 GLU N N 22 116.656 116.656 119.575 -2.919 18692 4737 1 12 . 1 1 22 22 GLU HA H 22 3.891 3.891 3.980 -0.089 18692 4738 1 12 . 1 1 22 22 GLU C C 22 180.424 180.424 177.953 2.471 18692 4739 1 12 . 1 1 22 22 GLU CA C 22 59.864 59.864 58.757 1.107 18692 4740 1 12 . 1 1 22 22 GLU CB C 22 30.047 30.047 28.998 1.049 18692 4741 1 12 . 1 1 22 22 GLU H H 22 8.203 8.203 7.478 0.725 18692 4742 1 12 . 1 1 23 23 LYS N N 23 113.426 113.426 117.242 -3.816 18692 4743 1 12 . 1 1 23 23 LYS HA H 23 4.392 4.392 4.112 0.280 18692 4744 1 12 . 1 1 23 23 LYS C C 23 180.639 180.639 178.067 2.572 18692 4745 1 12 . 1 1 23 23 LYS CA C 23 57.952 57.952 58.579 -0.627 18692 4746 1 12 . 1 1 23 23 LYS CB C 23 34.655 34.655 32.469 2.186 18692 4747 1 12 . 1 1 23 23 LYS H H 23 8.713 8.713 7.373 1.340 18692 4748 1 12 . 1 1 24 24 GLU N N 24 115.943 115.943 117.264 -1.321 18692 4749 1 12 . 1 1 24 24 GLU HA H 24 4.730 4.730 4.190 0.540 18692 4750 1 12 . 1 1 24 24 GLU C C 24 177.407 177.407 177.260 0.147 18692 4751 1 12 . 1 1 24 24 GLU CA C 24 56.241 56.241 57.160 -0.919 18692 4752 1 12 . 1 1 24 24 GLU CB C 24 30.664 30.664 30.375 0.289 18692 4753 1 12 . 1 1 24 24 GLU H H 24 8.225 8.225 7.718 0.507 18692 4754 1 12 . 1 1 25 25 MET N N 25 115.075 115.075 118.278 -3.203 18692 4755 1 12 . 1 1 25 25 MET HA H 25 4.832 4.832 4.370 0.462 18692 4756 1 12 . 1 1 25 25 MET C C 25 177.286 177.286 176.130 1.156 18692 4757 1 12 . 1 1 25 25 MET CA C 25 55.022 55.022 54.979 0.043 18692 4758 1 12 . 1 1 25 25 MET CB C 25 37.416 37.416 32.624 4.792 18692 4759 1 12 . 1 1 25 25 MET H H 25 6.860 6.860 7.473 -0.613 18692 4760 1 12 . 1 1 26 26 GLN N N 26 122.801 122.801 121.703 1.098 18692 4761 1 12 . 1 1 26 26 GLN HA H 26 4.345 4.345 4.395 -0.050 18692 4762 1 12 . 1 1 26 26 GLN C C 26 175.718 175.718 175.993 -0.275 18692 4763 1 12 . 1 1 26 26 GLN CA C 26 52.909 52.909 55.634 -2.725 18692 4764 1 12 . 1 1 26 26 GLN CB C 26 28.417 28.417 29.015 -0.598 18692 4765 1 12 . 1 1 26 26 GLN H H 26 9.264 9.264 8.375 0.889 18692 4766 1 12 . 1 1 27 27 PRO HA H 27 3.915 3.915 4.384 -0.469 18692 4767 1 12 . 1 1 27 27 PRO C C 27 177.450 177.450 175.805 1.645 18692 4768 1 12 . 1 1 27 27 PRO CA C 27 64.908 64.908 64.347 0.561 18692 4769 1 12 . 1 1 27 27 PRO CB C 27 31.265 31.265 31.746 -0.481 18692 4770 1 12 . 1 1 28 28 ASN N N 28 118.995 118.995 113.333 5.662 18692 4771 1 12 . 1 1 28 28 ASN HA H 28 4.475 4.475 5.229 -0.754 18692 4772 1 12 . 1 1 28 28 ASN C C 28 179.421 179.421 174.048 5.373 18692 4773 1 12 . 1 1 28 28 ASN CA C 28 55.368 55.368 52.862 2.506 18692 4774 1 12 . 1 1 28 28 ASN CB C 28 38.967 38.967 40.087 -1.120 18692 4775 1 12 . 1 1 28 28 ASN H H 28 8.458 8.458 8.016 0.442 18692 4776 1 12 . 1 1 29 29 GLU N N 29 123.128 123.128 119.513 3.615 18692 4777 1 12 . 1 1 29 29 GLU HA H 29 4.291 4.291 4.582 -0.291 18692 4778 1 12 . 1 1 29 29 GLU C C 29 175.883 175.883 174.524 1.359 18692 4779 1 12 . 1 1 29 29 GLU CA C 29 56.876 56.876 54.492 2.384 18692 4780 1 12 . 1 1 29 29 GLU CB C 29 31.863 31.863 33.983 -2.120 18692 4781 1 12 . 1 1 29 29 GLU H H 29 8.294 8.294 7.639 0.655 18692 4782 1 12 . 1 1 30 30 VAL N N 30 123.635 123.635 120.517 3.118 18692 4783 1 12 . 1 1 30 30 VAL HA H 30 5.293 5.293 4.603 0.690 18692 4784 1 12 . 1 1 30 30 VAL C C 30 177.201 177.201 175.181 2.020 18692 4785 1 12 . 1 1 30 30 VAL CA C 30 60.562 60.562 61.452 -0.889 18692 4786 1 12 . 1 1 30 30 VAL CB C 30 33.419 33.419 34.130 -0.711 18692 4787 1 12 . 1 1 30 30 VAL H H 30 8.067 8.067 8.483 -0.416 18692 4788 1 12 . 1 1 31 31 ALA N N 31 127.391 127.391 129.831 -2.440 18692 4789 1 12 . 1 1 31 31 ALA HA H 31 4.919 4.919 5.029 -0.110 18692 4790 1 12 . 1 1 31 31 ALA C C 31 176.179 176.179 175.955 0.224 18692 4791 1 12 . 1 1 31 31 ALA CA C 31 51.470 51.470 50.162 1.308 18692 4792 1 12 . 1 1 31 31 ALA CB C 31 24.772 24.772 21.724 3.048 18692 4793 1 12 . 1 1 31 31 ALA H H 31 9.086 9.086 8.245 0.841 18692 4794 1 12 . 1 1 32 32 ILE N N 32 118.468 118.468 126.131 -7.663 18692 4795 1 12 . 1 1 32 32 ILE HA H 32 5.102 5.102 4.486 0.616 18692 4796 1 12 . 1 1 32 32 ILE C C 32 176.300 176.300 174.783 1.517 18692 4797 1 12 . 1 1 32 32 ILE CA C 32 59.604 59.604 60.551 -0.947 18692 4798 1 12 . 1 1 32 32 ILE CB C 32 41.416 41.416 38.977 2.439 18692 4799 1 12 . 1 1 32 32 ILE H H 32 8.175 8.175 7.963 0.212 18692 4800 1 12 . 1 1 33 33 PHE N N 33 123.926 123.926 128.106 -4.180 18692 4801 1 12 . 1 1 33 33 PHE HA H 33 5.407 5.407 5.552 -0.145 18692 4802 1 12 . 1 1 33 33 PHE C C 33 176.695 176.695 176.020 0.675 18692 4803 1 12 . 1 1 33 33 PHE CA C 33 56.627 56.627 55.099 1.528 18692 4804 1 12 . 1 1 33 33 PHE CB C 33 41.583 41.583 39.373 2.209 18692 4805 1 12 . 1 1 33 33 PHE H H 33 9.277 9.277 8.668 0.609 18692 4806 1 12 . 1 1 34 34 MET N N 34 120.519 120.519 125.639 -5.120 18692 4807 1 12 . 1 1 34 34 MET HA H 34 5.517 5.517 5.251 0.266 18692 4808 1 12 . 1 1 34 34 MET C C 34 177.123 177.123 175.039 2.084 18692 4809 1 12 . 1 1 34 34 MET CA C 34 53.515 53.515 55.199 -1.684 18692 4810 1 12 . 1 1 34 34 MET CB C 34 36.447 36.447 34.222 2.225 18692 4811 1 12 . 1 1 34 34 MET H H 34 8.606 8.606 9.196 -0.590 18692 4812 1 12 . 1 1 35 35 PHE N N 35 118.119 118.119 122.433 -4.314 18692 4813 1 12 . 1 1 35 35 PHE HA H 35 4.642 4.642 5.159 -0.517 18692 4814 1 12 . 1 1 35 35 PHE C C 35 175.188 175.188 173.931 1.257 18692 4815 1 12 . 1 1 35 35 PHE CA C 35 56.100 56.100 55.736 0.364 18692 4816 1 12 . 1 1 35 35 PHE CB C 35 41.450 41.450 41.015 0.435 18692 4817 1 12 . 1 1 35 35 PHE H H 35 8.832 8.832 8.776 0.056 18692 4818 1 12 . 1 1 36 36 GLU N N 36 120.598 120.598 122.651 -2.053 18692 4819 1 12 . 1 1 36 36 GLU HA H 36 4.890 4.890 4.339 0.551 18692 4820 1 12 . 1 1 36 36 GLU C C 36 179.258 179.258 175.597 3.661 18692 4821 1 12 . 1 1 36 36 GLU CA C 36 57.184 57.184 56.080 1.105 18692 4822 1 12 . 1 1 36 36 GLU CB C 36 30.844 30.844 30.217 0.627 18692 4823 1 12 . 1 1 36 36 GLU H H 36 9.421 9.421 8.907 0.514 18692 4824 1 12 . 1 1 37 37 VAL N N 37 122.817 122.817 119.892 2.925 18692 4825 1 12 . 1 1 37 37 VAL HA H 37 4.230 4.230 4.172 0.058 18692 4826 1 12 . 1 1 37 37 VAL C C 37 176.550 176.550 177.354 -0.804 18692 4827 1 12 . 1 1 37 37 VAL CA C 37 65.923 65.923 62.296 3.627 18692 4828 1 12 . 1 1 37 37 VAL H H 37 9.005 9.005 7.539 1.466 18692 4829 1 12 . 1 1 38 38 GLY N N 38 109.660 109.660 108.989 0.671 18692 4830 1 12 . 1 1 38 38 GLY C C 38 173.860 173.860 173.339 0.521 18692 4831 1 12 . 1 1 38 38 GLY CA C 38 44.560 44.560 45.255 -0.695 18692 4832 1 12 . 1 1 38 38 GLY H H 38 8.440 8.440 8.636 -0.196 18692 4833 1 12 . 1 1 39 39 ASP N N 39 119.440 119.440 120.616 -1.176 18692 4834 1 12 . 1 1 39 39 ASP HA H 39 4.910 4.910 4.283 0.627 18692 4835 1 12 . 1 1 39 39 ASP C C 39 177.550 177.550 175.619 1.931 18692 4836 1 12 . 1 1 39 39 ASP CA C 39 54.420 54.420 54.103 0.317 18692 4837 1 12 . 1 1 39 39 ASP CB C 39 37.150 37.150 39.427 -2.277 18692 4838 1 12 . 1 1 39 39 ASP H H 39 8.330 8.330 7.572 0.758 18692 4839 1 12 . 1 1 40 40 PHE N N 40 123.361 123.361 119.835 3.526 18692 4840 1 12 . 1 1 40 40 PHE HA H 40 4.620 4.620 4.381 0.239 18692 4841 1 12 . 1 1 40 40 PHE CA C 40 56.250 56.250 57.861 -1.611 18692 4842 1 12 . 1 1 40 40 PHE CB C 40 36.150 36.150 38.490 -2.340 18692 4843 1 12 . 1 1 40 40 PHE H H 40 7.949 7.949 6.393 1.556 18692 4844 1 12 . 1 1 41 41 SER N N 41 121.483 121.483 116.355 5.128 18692 4845 1 12 . 1 1 41 41 SER HA H 41 4.492 4.492 4.165 0.327 18692 4846 1 12 . 1 1 41 41 SER C C 41 174.554 174.554 175.893 -1.339 18692 4847 1 12 . 1 1 41 41 SER CA C 41 59.660 59.660 60.084 -0.424 18692 4848 1 12 . 1 1 41 41 SER CB C 41 63.220 63.220 62.950 0.270 18692 4849 1 12 . 1 1 41 41 SER H H 41 8.519 8.519 8.190 0.329 18692 4850 1 12 . 1 1 42 42 ASN N N 42 118.920 118.920 117.313 1.607 18692 4851 1 12 . 1 1 42 42 ASN HA H 42 4.910 4.910 4.641 0.269 18692 4852 1 12 . 1 1 42 42 ASN CA C 42 53.490 53.490 54.054 -0.564 18692 4853 1 12 . 1 1 42 42 ASN CB C 42 38.120 38.120 38.301 -0.181 18692 4854 1 12 . 1 1 42 42 ASN H H 42 8.330 8.330 8.125 0.205 18692 4855 1 12 . 1 1 43 43 ILE N N 43 121.540 121.540 121.396 0.144 18692 4856 1 12 . 1 1 43 43 ILE HA H 43 4.180 4.180 3.854 0.326 18692 4857 1 12 . 1 1 43 43 ILE CA C 43 60.110 60.110 66.257 -6.147 18692 4858 1 12 . 1 1 43 43 ILE CB C 43 38.440 38.440 35.156 3.284 18692 4859 1 12 . 1 1 43 43 ILE H H 43 8.293 8.293 7.142 1.151 18692 4860 1 12 . 1 1 44 44 PRO HA H 44 4.461 4.461 4.350 0.111 18692 4861 1 12 . 1 1 44 44 PRO C C 44 176.465 176.465 178.405 -1.940 18692 4862 1 12 . 1 1 44 44 PRO CA C 44 65.358 65.358 64.915 0.443 18692 4863 1 12 . 1 1 44 44 PRO CB C 44 30.441 30.441 30.997 -0.556 18692 4864 1 12 . 1 1 45 45 LYS N N 45 116.236 116.236 119.211 -2.975 18692 4865 1 12 . 1 1 45 45 LYS HA H 45 4.128 4.128 4.154 -0.026 18692 4866 1 12 . 1 1 45 45 LYS C C 45 181.467 181.467 178.412 3.055 18692 4867 1 12 . 1 1 45 45 LYS CA C 45 59.712 59.712 58.681 1.031 18692 4868 1 12 . 1 1 45 45 LYS CB C 45 33.281 33.281 32.579 0.702 18692 4869 1 12 . 1 1 45 45 LYS H H 45 7.270 7.270 7.929 -0.659 18692 4870 1 12 . 1 1 46 46 SER N N 46 116.059 116.059 116.247 -0.188 18692 4871 1 12 . 1 1 46 46 SER HA H 46 4.080 4.080 4.224 -0.144 18692 4872 1 12 . 1 1 46 46 SER C C 46 177.432 177.432 176.823 0.609 18692 4873 1 12 . 1 1 46 46 SER CA C 46 63.202 63.202 60.969 2.233 18692 4874 1 12 . 1 1 46 46 SER CB C 46 62.118 62.118 62.971 -0.853 18692 4875 1 12 . 1 1 46 46 SER H H 46 8.293 8.293 7.700 0.593 18692 4876 1 12 . 1 1 47 47 ALA N N 47 126.579 126.579 123.865 2.714 18692 4877 1 12 . 1 1 47 47 ALA HA H 47 4.128 4.128 3.919 0.209 18692 4878 1 12 . 1 1 47 47 ALA C C 47 181.528 181.528 178.228 3.300 18692 4879 1 12 . 1 1 47 47 ALA CA C 47 55.704 55.704 54.969 0.735 18692 4880 1 12 . 1 1 47 47 ALA CB C 47 18.326 18.326 18.046 0.280 18692 4881 1 12 . 1 1 47 47 ALA H H 47 6.990 6.990 7.686 -0.696 18692 4882 1 12 . 1 1 48 48 GLU N N 48 117.980 117.980 117.440 0.540 18692 4883 1 12 . 1 1 48 48 GLU HA H 48 4.062 4.062 3.176 0.885 18692 4884 1 12 . 1 1 48 48 GLU C C 48 180.822 180.822 177.472 3.350 18692 4885 1 12 . 1 1 48 48 GLU CA C 48 59.100 59.100 57.834 1.266 18692 4886 1 12 . 1 1 48 48 GLU CB C 48 29.770 29.770 29.341 0.429 18692 4887 1 12 . 1 1 48 48 GLU H H 48 7.863 7.863 7.591 0.272 18692 4888 1 12 . 1 1 49 49 PHE N N 49 122.179 122.179 117.523 4.656 18692 4889 1 12 . 1 1 49 49 PHE HA H 49 4.117 4.117 4.148 -0.031 18692 4890 1 12 . 1 1 49 49 PHE C C 49 179.580 179.580 177.189 2.391 18692 4891 1 12 . 1 1 49 49 PHE CA C 49 57.813 57.813 60.562 -2.749 18692 4892 1 12 . 1 1 49 49 PHE CB C 49 41.695 41.695 39.040 2.655 18692 4893 1 12 . 1 1 49 49 PHE H H 49 8.341 8.341 7.748 0.593 18692 4894 1 12 . 1 1 50 50 ILE N N 50 117.469 117.469 117.380 0.089 18692 4895 1 12 . 1 1 50 50 ILE HA H 50 3.533 3.533 3.916 -0.383 18692 4896 1 12 . 1 1 50 50 ILE C C 50 179.698 179.698 176.463 3.235 18692 4897 1 12 . 1 1 50 50 ILE CA C 50 62.884 62.884 63.282 -0.398 18692 4898 1 12 . 1 1 50 50 ILE CB C 50 36.669 36.669 37.879 -1.210 18692 4899 1 12 . 1 1 50 50 ILE H H 50 8.322 8.322 7.231 1.091 18692 4900 1 12 . 1 1 51 51 GLN N N 51 117.190 117.190 117.433 -0.243 18692 4901 1 12 . 1 1 51 51 GLN HA H 51 4.261 4.261 4.557 -0.296 18692 4902 1 12 . 1 1 51 51 GLN C C 51 182.627 182.627 175.697 6.930 18692 4903 1 12 . 1 1 51 51 GLN CA C 51 58.862 58.862 54.670 4.192 18692 4904 1 12 . 1 1 51 51 GLN CB C 51 28.451 28.451 31.648 -3.197 18692 4905 1 12 . 1 1 51 51 GLN H H 51 7.887 7.887 7.626 0.261 18692 4906 1 12 . 1 1 52 52 SER N N 52 117.670 117.670 120.256 -2.586 18692 4907 1 12 . 1 1 52 52 SER HA H 52 4.137 4.137 4.241 -0.104 18692 4908 1 12 . 1 1 52 52 SER CA C 52 61.401 61.401 61.077 0.324 18692 4909 1 12 . 1 1 52 52 SER CB C 52 62.615 62.615 63.358 -0.743 18692 4910 1 12 . 1 1 52 52 SER H H 52 8.556 8.556 8.594 -0.038 18692 4911 1 12 . 1 1 53 53 LYS N N 53 119.008 119.008 121.193 -2.185 18692 4912 1 12 . 1 1 53 53 LYS HA H 53 4.170 4.170 4.374 -0.204 18692 4913 1 12 . 1 1 53 53 LYS C C 53 177.911 177.911 175.377 2.534 18692 4914 1 12 . 1 1 53 53 LYS CA C 53 54.662 54.662 56.196 -1.534 18692 4915 1 12 . 1 1 53 53 LYS CB C 53 32.652 32.652 33.438 -0.786 18692 4916 1 12 . 1 1 53 53 LYS H H 53 7.064 7.064 7.759 -0.695 18692 4917 1 12 . 1 1 54 54 GLY N N 54 105.188 105.188 112.132 -6.944 18692 4918 1 12 . 1 1 54 54 GLY C C 54 175.528 175.528 172.956 2.572 18692 4919 1 12 . 1 1 54 54 GLY CA C 54 45.118 45.118 45.750 -0.632 18692 4920 1 12 . 1 1 54 54 GLY H H 54 7.548 7.548 8.648 -1.100 18692 4921 1 12 . 1 1 55 55 HIS N N 55 118.294 118.294 119.972 -1.678 18692 4922 1 12 . 1 1 55 55 HIS HA H 55 4.947 4.947 5.065 -0.118 18692 4923 1 12 . 1 1 55 55 HIS C C 55 175.240 175.240 173.842 1.398 18692 4924 1 12 . 1 1 55 55 HIS CA C 55 54.847 54.847 53.888 0.959 18692 4925 1 12 . 1 1 55 55 HIS CB C 55 31.315 31.315 30.398 0.917 18692 4926 1 12 . 1 1 55 55 HIS H H 55 6.998 6.998 7.962 -0.964 18692 4927 1 12 . 1 1 56 56 GLU N N 56 118.205 118.205 125.636 -7.431 18692 4928 1 12 . 1 1 56 56 GLU HA H 56 4.666 4.666 4.476 0.190 18692 4929 1 12 . 1 1 56 56 GLU C C 56 176.766 176.766 174.964 1.802 18692 4930 1 12 . 1 1 56 56 GLU CA C 56 55.162 55.162 55.057 0.105 18692 4931 1 12 . 1 1 56 56 GLU CB C 56 33.110 33.110 32.399 0.711 18692 4932 1 12 . 1 1 56 56 GLU H H 56 8.509 8.509 8.172 0.337 18692 4933 1 12 . 1 1 57 57 LEU N N 57 127.769 127.769 127.110 0.659 18692 4934 1 12 . 1 1 57 57 LEU HA H 57 4.786 4.786 4.686 0.100 18692 4935 1 12 . 1 1 57 57 LEU C C 57 177.854 177.854 177.850 0.004 18692 4936 1 12 . 1 1 57 57 LEU CA C 57 53.780 53.780 53.996 -0.216 18692 4937 1 12 . 1 1 57 57 LEU CB C 57 42.676 42.676 40.484 2.192 18692 4938 1 12 . 1 1 57 57 LEU H H 57 8.978 8.978 8.840 0.138 18692 4939 1 12 . 1 1 58 58 LEU N N 58 128.364 128.364 125.436 2.928 18692 4940 1 12 . 1 1 58 58 LEU HA H 58 4.402 4.402 4.006 0.396 18692 4941 1 12 . 1 1 58 58 LEU C C 58 179.469 179.469 177.344 2.125 18692 4942 1 12 . 1 1 58 58 LEU CA C 58 56.534 56.534 57.682 -1.148 18692 4943 1 12 . 1 1 58 58 LEU CB C 58 42.371 42.371 42.638 -0.267 18692 4944 1 12 . 1 1 58 58 LEU H H 58 9.128 9.128 7.935 1.193 18692 4945 1 12 . 1 1 59 59 ASN N N 59 113.622 113.622 114.857 -1.235 18692 4946 1 12 . 1 1 59 59 ASN HA H 59 4.918 4.918 4.899 0.019 18692 4947 1 12 . 1 1 59 59 ASN C C 59 175.560 175.560 174.188 1.372 18692 4948 1 12 . 1 1 59 59 ASN CA C 59 52.389 52.389 52.424 -0.035 18692 4949 1 12 . 1 1 59 59 ASN CB C 59 41.887 41.887 40.871 1.016 18692 4950 1 12 . 1 1 59 59 ASN H H 59 7.574 7.574 7.993 -0.419 18692 4951 1 12 . 1 1 60 60 SER N N 60 118.134 118.134 120.424 -2.290 18692 4952 1 12 . 1 1 60 60 SER HA H 60 4.045 4.045 4.351 -0.306 18692 4953 1 12 . 1 1 60 60 SER CA C 60 56.925 56.925 58.404 -1.479 18692 4954 1 12 . 1 1 60 60 SER CB C 60 63.649 63.649 64.079 -0.430 18692 4955 1 12 . 1 1 60 60 SER H H 60 8.436 8.436 8.450 -0.014 18692 4956 1 12 . 1 1 61 61 LEU N N 61 128.266 128.266 121.907 6.359 18692 4957 1 12 . 1 1 61 61 LEU HA H 61 4.219 4.219 4.540 -0.321 18692 4958 1 12 . 1 1 61 61 LEU CA C 61 55.106 55.106 55.637 -0.531 18692 4959 1 12 . 1 1 61 61 LEU CB C 61 44.577 44.577 42.352 2.225 18692 4960 1 12 . 1 1 61 61 LEU H H 61 8.725 8.725 8.248 0.477 18692 4961 1 12 . 1 1 62 62 ARG N N 62 122.383 122.383 125.032 -2.649 18692 4962 1 12 . 1 1 62 62 ARG HA H 62 4.312 4.312 4.104 0.208 18692 4963 1 12 . 1 1 62 62 ARG C C 62 176.560 176.560 175.781 0.779 18692 4964 1 12 . 1 1 62 62 ARG CA C 62 57.290 57.290 54.243 3.047 18692 4965 1 12 . 1 1 62 62 ARG CB C 62 30.828 30.828 27.619 3.209 18692 4966 1 12 . 1 1 62 62 ARG H H 62 7.303 7.303 9.118 -1.815 18692 4967 1 12 . 1 1 63 63 PHE N N 63 120.560 120.560 120.331 0.229 18692 4968 1 12 . 1 1 63 63 PHE HA H 63 4.613 4.613 4.753 -0.140 18692 4969 1 12 . 1 1 63 63 PHE CA C 63 61.377 61.377 56.856 4.521 18692 4970 1 12 . 1 1 63 63 PHE CB C 63 39.908 39.908 38.232 1.676 18692 4971 1 12 . 1 1 63 63 PHE H H 63 8.321 8.321 7.844 0.477 18692 4972 1 12 . 1 1 64 64 ASN N N 64 117.616 117.616 117.972 -0.356 18692 4973 1 12 . 1 1 64 64 ASN HA H 64 4.377 4.377 4.021 0.356 18692 4974 1 12 . 1 1 64 64 ASN C C 64 176.642 176.642 175.329 1.313 18692 4975 1 12 . 1 1 64 64 ASN CA C 64 53.465 53.465 55.043 -1.578 18692 4976 1 12 . 1 1 64 64 ASN CB C 64 37.450 37.450 38.162 -0.712 18692 4977 1 12 . 1 1 64 64 ASN H H 64 8.101 8.101 7.715 0.386 18692 4978 1 12 . 1 1 65 65 GLN N N 65 115.548 115.548 116.763 -1.215 18692 4979 1 12 . 1 1 65 65 GLN HA H 65 4.275 4.275 4.407 -0.132 18692 4980 1 12 . 1 1 65 65 GLN C C 65 178.411 178.411 174.781 3.630 18692 4981 1 12 . 1 1 65 65 GLN CA C 65 59.127 59.127 55.156 3.971 18692 4982 1 12 . 1 1 65 65 GLN CB C 65 28.650 28.650 31.329 -2.679 18692 4983 1 12 . 1 1 65 65 GLN H H 65 8.330 8.330 7.472 0.858 18692 4984 1 12 . 1 1 66 66 ALA N N 66 120.802 120.802 124.723 -3.921 18692 4985 1 12 . 1 1 66 66 ALA HA H 66 4.652 4.652 4.103 0.549 18692 4986 1 12 . 1 1 66 66 ALA C C 66 178.893 178.893 176.269 2.624 18692 4987 1 12 . 1 1 66 66 ALA CA C 66 52.751 52.751 52.850 -0.099 18692 4988 1 12 . 1 1 66 66 ALA CB C 66 21.705 21.705 19.164 2.541 18692 4989 1 12 . 1 1 66 66 ALA H H 66 8.346 8.346 8.292 0.054 18692 4990 1 12 . 1 1 67 67 ASP N N 67 118.909 118.909 119.262 -0.353 18692 4991 1 12 . 1 1 67 67 ASP HA H 67 4.612 4.612 4.557 0.055 18692 4992 1 12 . 1 1 67 67 ASP C C 67 175.639 175.639 175.435 0.204 18692 4993 1 12 . 1 1 67 67 ASP CA C 67 54.726 54.726 54.182 0.544 18692 4994 1 12 . 1 1 67 67 ASP CB C 67 45.152 45.152 41.375 3.777 18692 4995 1 12 . 1 1 67 67 ASP H H 67 8.117 8.117 8.069 0.048 18692 4996 1 12 . 1 1 68 68 TRP HA H 68 4.477 4.477 4.775 -0.298 18692 4997 1 12 . 1 1 68 68 TRP CA C 68 56.253 56.253 55.518 0.735 18692 4998 1 12 . 1 1 68 68 TRP CB C 68 33.719 33.719 33.198 0.521 18692 4999 1 12 . 1 1 68 68 TRP H H 68 8.310 8.310 7.641 0.669 18692 5000 1 12 . 1 1 69 69 THR N N 69 114.495 114.495 113.703 0.792 18692 5001 1 12 . 1 1 69 69 THR HA H 69 5.605 5.605 4.817 0.788 18692 5002 1 12 . 1 1 69 69 THR C C 69 176.005 176.005 173.387 2.618 18692 5003 1 12 . 1 1 69 69 THR CA C 69 58.855 58.855 60.498 -1.643 18692 5004 1 12 . 1 1 69 69 THR CB C 69 72.755 72.755 70.146 2.609 18692 5005 1 12 . 1 1 69 69 THR H H 69 7.985 7.985 7.973 0.012 18692 5006 1 12 . 1 1 70 70 ILE N N 70 114.448 114.448 129.374 -14.926 18692 5007 1 12 . 1 1 70 70 ILE HA H 70 5.384 5.384 4.548 0.836 18692 5008 1 12 . 1 1 70 70 ILE C C 70 175.751 175.751 173.934 1.817 18692 5009 1 12 . 1 1 70 70 ILE CA C 70 59.637 59.637 58.949 0.688 18692 5010 1 12 . 1 1 70 70 ILE CB C 70 41.689 41.689 40.943 0.746 18692 5011 1 12 . 1 1 70 70 ILE H H 70 8.807 8.807 8.282 0.525 18692 5012 1 12 . 1 1 71 71 VAL N N 71 124.084 124.084 130.033 -5.949 18692 5013 1 12 . 1 1 71 71 VAL HA H 71 5.012 5.012 4.309 0.703 18692 5014 1 12 . 1 1 71 71 VAL C C 71 177.625 177.625 174.991 2.634 18692 5015 1 12 . 1 1 71 71 VAL CA C 71 61.647 61.647 61.215 0.432 18692 5016 1 12 . 1 1 71 71 VAL CB C 71 32.482 32.482 31.230 1.252 18692 5017 1 12 . 1 1 71 71 VAL H H 71 8.500 8.500 8.753 -0.253 18692 5018 1 12 . 1 1 72 72 VAL N N 72 127.753 127.753 126.840 0.913 18692 5019 1 12 . 1 1 72 72 VAL HA H 72 5.147 5.147 4.338 0.809 18692 5020 1 12 . 1 1 72 72 VAL C C 72 175.444 175.444 174.969 0.475 18692 5021 1 12 . 1 1 72 72 VAL CA C 72 60.252 60.252 60.699 -0.447 18692 5022 1 12 . 1 1 72 72 VAL CB C 72 37.425 37.425 33.187 4.238 18692 5023 1 12 . 1 1 72 72 VAL H H 72 9.280 9.280 8.419 0.861 18692 5024 1 12 . 1 1 73 73 ARG N N 73 125.839 125.839 126.861 -1.022 18692 5025 1 12 . 1 1 73 73 ARG HA H 73 5.458 5.458 5.221 0.237 18692 5026 1 12 . 1 1 73 73 ARG C C 73 177.981 177.981 176.509 1.472 18692 5027 1 12 . 1 1 73 73 ARG CA C 73 53.788 53.788 54.155 -0.367 18692 5028 1 12 . 1 1 73 73 ARG CB C 73 33.855 33.855 30.993 2.862 18692 5029 1 12 . 1 1 73 73 ARG H H 73 9.194 9.194 8.191 1.003 18692 5030 1 12 . 1 1 74 74 LYS N N 74 129.522 129.522 125.593 3.929 18692 5031 1 12 . 1 1 74 74 LYS HA H 74 4.323 4.323 4.190 0.133 18692 5032 1 12 . 1 1 74 74 LYS C C 74 178.340 178.340 176.542 1.798 18692 5033 1 12 . 1 1 74 74 LYS CA C 74 55.983 55.983 57.640 -1.657 18692 5034 1 12 . 1 1 74 74 LYS CB C 74 33.103 33.103 33.294 -0.191 18692 5035 1 12 . 1 1 74 74 LYS H H 74 10.930 10.930 8.394 2.536 18692 5036 1 12 . 1 1 75 75 LYS N N 75 131.817 131.817 117.946 13.871 18692 5037 1 12 . 1 1 75 75 LYS HA H 75 4.489 4.489 4.647 -0.158 18692 5038 1 12 . 1 1 75 75 LYS CA C 75 55.927 55.927 55.543 0.384 18692 5039 1 12 . 1 1 75 75 LYS CB C 75 29.730 29.730 35.282 -5.552 18692 5040 1 12 . 1 1 75 75 LYS H H 75 10.873 10.873 8.268 2.605 18692 5041 1 13 . 1 1 2 2 LYS N N 2 127.399 127.399 120.440 6.959 18692 5042 1 13 . 1 1 2 2 LYS HA H 2 3.954 3.954 4.678 -0.724 18692 5043 1 13 . 1 1 2 2 LYS C C 2 175.826 175.826 175.110 0.716 18692 5044 1 13 . 1 1 2 2 LYS CA C 2 57.475 57.475 55.672 1.803 18692 5045 1 13 . 1 1 2 2 LYS CB C 2 34.009 34.009 33.007 1.002 18692 5046 1 13 . 1 1 2 2 LYS H H 2 9.167 9.167 8.347 0.820 18692 5047 1 13 . 1 1 3 3 ARG N N 3 121.207 121.207 118.351 2.856 18692 5048 1 13 . 1 1 3 3 ARG HA H 3 4.797 4.797 4.802 -0.005 18692 5049 1 13 . 1 1 3 3 ARG C C 3 176.719 176.719 174.243 2.476 18692 5050 1 13 . 1 1 3 3 ARG CA C 3 54.082 54.082 55.267 -1.185 18692 5051 1 13 . 1 1 3 3 ARG CB C 3 32.816 32.816 32.768 0.048 18692 5052 1 13 . 1 1 3 3 ARG H H 3 7.705 7.705 7.697 0.008 18692 5053 1 13 . 1 1 4 4 PHE N N 4 124.380 124.380 121.062 3.318 18692 5054 1 13 . 1 1 4 4 PHE HA H 4 4.729 4.729 4.870 -0.141 18692 5055 1 13 . 1 1 4 4 PHE C C 4 176.180 176.180 173.957 2.223 18692 5056 1 13 . 1 1 4 4 PHE CA C 4 56.584 56.584 57.267 -0.684 18692 5057 1 13 . 1 1 4 4 PHE CB C 4 41.758 41.758 43.025 -1.267 18692 5058 1 13 . 1 1 4 4 PHE H H 4 8.913 8.913 9.512 -0.599 18692 5059 1 13 . 1 1 5 5 ASP N N 5 123.331 123.331 127.864 -4.533 18692 5060 1 13 . 1 1 5 5 ASP HA H 5 4.390 4.390 4.841 -0.451 18692 5061 1 13 . 1 1 5 5 ASP C C 5 177.524 177.524 175.652 1.872 18692 5062 1 13 . 1 1 5 5 ASP CA C 5 53.344 53.344 54.664 -1.320 18692 5063 1 13 . 1 1 5 5 ASP CB C 5 41.043 41.043 41.205 -0.162 18692 5064 1 13 . 1 1 5 5 ASP H H 5 9.113 9.113 8.606 0.507 18692 5065 1 13 . 1 1 6 6 LEU N N 6 122.540 122.540 125.092 -2.552 18692 5066 1 13 . 1 1 6 6 LEU HA H 6 4.304 4.304 4.439 -0.135 18692 5067 1 13 . 1 1 6 6 LEU CA C 6 55.260 55.260 54.434 0.826 18692 5068 1 13 . 1 1 6 6 LEU CB C 6 42.680 42.680 41.880 0.800 18692 5069 1 13 . 1 1 6 6 LEU H H 6 8.305 8.305 8.370 -0.065 18692 5070 1 13 . 1 1 7 7 ARG N N 7 121.715 121.715 122.660 -0.945 18692 5071 1 13 . 1 1 7 7 ARG HA H 7 4.156 4.156 4.105 0.051 18692 5072 1 13 . 1 1 7 7 ARG C C 7 177.664 177.664 175.809 1.855 18692 5073 1 13 . 1 1 7 7 ARG CA C 7 56.463 56.463 60.022 -3.559 18692 5074 1 13 . 1 1 7 7 ARG CB C 7 29.315 29.315 28.564 0.751 18692 5075 1 13 . 1 1 7 7 ARG H H 7 8.293 8.293 8.436 -0.143 18692 5076 1 13 . 1 1 8 8 PRO HA H 8 4.365 4.365 4.349 0.016 18692 5077 1 13 . 1 1 8 8 PRO C C 8 178.886 178.886 176.521 2.365 18692 5078 1 13 . 1 1 8 8 PRO CA C 8 65.193 65.193 63.378 1.815 18692 5079 1 13 . 1 1 8 8 PRO CB C 8 31.566 31.566 31.674 -0.108 18692 5080 1 13 . 1 1 9 9 LEU N N 9 114.107 114.107 121.561 -7.454 18692 5081 1 13 . 1 1 9 9 LEU HA H 9 4.175 4.175 4.351 -0.176 18692 5082 1 13 . 1 1 9 9 LEU C C 9 178.897 178.897 176.210 2.687 18692 5083 1 13 . 1 1 9 9 LEU CA C 9 54.878 54.878 54.816 0.062 18692 5084 1 13 . 1 1 9 9 LEU CB C 9 41.222 41.222 43.764 -2.542 18692 5085 1 13 . 1 1 9 9 LEU H H 9 7.310 7.310 7.376 -0.066 18692 5086 1 13 . 1 1 10 10 LYS N N 10 116.563 116.563 122.515 -5.952 18692 5087 1 13 . 1 1 10 10 LYS HA H 10 3.823 3.823 4.283 -0.460 18692 5088 1 13 . 1 1 10 10 LYS C C 10 178.805 178.805 175.511 3.294 18692 5089 1 13 . 1 1 10 10 LYS CA C 10 57.693 57.693 55.269 2.424 18692 5090 1 13 . 1 1 10 10 LYS CB C 10 34.124 34.124 33.684 0.440 18692 5091 1 13 . 1 1 10 10 LYS H H 10 8.132 8.132 8.101 0.031 18692 5092 1 13 . 1 1 11 11 ALA N N 11 124.134 124.134 122.295 1.839 18692 5093 1 13 . 1 1 11 11 ALA HA H 11 4.399 4.399 3.905 0.494 18692 5094 1 13 . 1 1 11 11 ALA C C 11 178.877 178.877 178.631 0.246 18692 5095 1 13 . 1 1 11 11 ALA CA C 11 53.292 53.292 53.025 0.267 18692 5096 1 13 . 1 1 11 11 ALA CB C 11 19.310 19.310 18.409 0.901 18692 5097 1 13 . 1 1 11 11 ALA H H 11 8.239 8.239 8.137 0.102 18692 5098 1 13 . 1 1 12 12 GLY N N 12 108.661 108.661 110.489 -1.828 18692 5099 1 13 . 1 1 12 12 GLY C C 12 178.614 178.614 175.194 3.420 18692 5100 1 13 . 1 1 12 12 GLY CA C 12 47.640 47.640 45.628 2.012 18692 5101 1 13 . 1 1 12 12 GLY H H 12 8.186 8.186 9.067 -0.881 18692 5102 1 13 . 1 1 13 13 ILE N N 13 123.465 123.465 123.402 0.063 18692 5103 1 13 . 1 1 13 13 ILE HA H 13 4.150 4.150 4.311 -0.161 18692 5104 1 13 . 1 1 13 13 ILE C C 13 177.234 177.234 176.928 0.306 18692 5105 1 13 . 1 1 13 13 ILE CA C 13 60.500 60.500 62.323 -1.823 18692 5106 1 13 . 1 1 13 13 ILE CB C 13 36.970 36.970 38.822 -1.852 18692 5107 1 13 . 1 1 13 13 ILE H H 13 8.309 8.309 7.472 0.837 18692 5108 1 13 . 1 1 14 14 PHE N N 14 119.560 119.560 120.400 -0.840 18692 5109 1 13 . 1 1 14 14 PHE HA H 14 3.354 3.354 4.172 -0.818 18692 5110 1 13 . 1 1 14 14 PHE C C 14 179.301 179.301 176.450 2.851 18692 5111 1 13 . 1 1 14 14 PHE CA C 14 63.883 63.883 60.963 2.920 18692 5112 1 13 . 1 1 14 14 PHE CB C 14 37.608 37.608 37.982 -0.374 18692 5113 1 13 . 1 1 14 14 PHE H H 14 7.801 7.801 8.037 -0.236 18692 5114 1 13 . 1 1 15 15 GLU N N 15 121.567 121.567 119.729 1.838 18692 5115 1 13 . 1 1 15 15 GLU HA H 15 4.260 4.260 3.713 0.547 18692 5116 1 13 . 1 1 15 15 GLU C C 15 181.428 181.428 177.594 3.834 18692 5117 1 13 . 1 1 15 15 GLU CA C 15 60.579 60.579 57.565 3.014 18692 5118 1 13 . 1 1 15 15 GLU CB C 15 28.158 28.158 29.030 -0.872 18692 5119 1 13 . 1 1 15 15 GLU H H 15 8.331 8.331 8.178 0.153 18692 5120 1 13 . 1 1 16 16 ARG N N 16 121.602 121.602 119.579 2.023 18692 5121 1 13 . 1 1 16 16 ARG HA H 16 4.104 4.104 3.685 0.419 18692 5122 1 13 . 1 1 16 16 ARG C C 16 179.418 179.418 178.733 0.685 18692 5123 1 13 . 1 1 16 16 ARG CA C 16 56.877 56.877 59.051 -2.174 18692 5124 1 13 . 1 1 16 16 ARG CB C 16 29.397 29.397 29.911 -0.514 18692 5125 1 13 . 1 1 16 16 ARG H H 16 8.240 8.240 7.192 1.048 18692 5126 1 13 . 1 1 17 17 LEU N N 17 119.769 119.769 119.532 0.237 18692 5127 1 13 . 1 1 17 17 LEU HA H 17 3.619 3.619 4.032 -0.413 18692 5128 1 13 . 1 1 17 17 LEU C C 17 179.136 179.136 177.914 1.222 18692 5129 1 13 . 1 1 17 17 LEU CA C 17 59.104 59.104 56.574 2.530 18692 5130 1 13 . 1 1 17 17 LEU CB C 17 42.770 42.770 41.191 1.579 18692 5131 1 13 . 1 1 17 17 LEU H H 17 8.134 8.134 8.306 -0.172 18692 5132 1 13 . 1 1 18 18 GLU N N 18 115.547 115.547 118.170 -2.623 18692 5133 1 13 . 1 1 18 18 GLU HA H 18 3.889 3.889 3.303 0.586 18692 5134 1 13 . 1 1 18 18 GLU C C 18 179.643 179.643 177.912 1.731 18692 5135 1 13 . 1 1 18 18 GLU CA C 18 59.929 59.929 59.558 0.371 18692 5136 1 13 . 1 1 18 18 GLU CB C 18 29.170 29.170 28.792 0.378 18692 5137 1 13 . 1 1 18 18 GLU H H 18 7.674 7.674 7.781 -0.107 18692 5138 1 13 . 1 1 19 19 GLU N N 19 119.211 119.211 118.581 0.630 18692 5139 1 13 . 1 1 19 19 GLU HA H 19 4.047 4.047 4.018 0.029 18692 5140 1 13 . 1 1 19 19 GLU C C 19 180.374 180.374 178.062 2.312 18692 5141 1 13 . 1 1 19 19 GLU CA C 19 59.441 59.441 58.275 1.166 18692 5142 1 13 . 1 1 19 19 GLU CB C 19 30.269 30.269 29.545 0.724 18692 5143 1 13 . 1 1 19 19 GLU H H 19 7.782 7.782 7.477 0.305 18692 5144 1 13 . 1 1 20 20 LEU N N 20 119.264 119.264 120.166 -0.902 18692 5145 1 13 . 1 1 20 20 LEU HA H 20 3.761 3.761 3.951 -0.190 18692 5146 1 13 . 1 1 20 20 LEU C C 20 181.666 181.666 178.683 2.983 18692 5147 1 13 . 1 1 20 20 LEU CA C 20 57.862 57.862 57.740 0.122 18692 5148 1 13 . 1 1 20 20 LEU CB C 20 42.111 42.111 42.027 0.084 18692 5149 1 13 . 1 1 20 20 LEU H H 20 8.507 8.507 7.245 1.262 18692 5150 1 13 . 1 1 21 21 ILE N N 21 117.879 117.879 116.867 1.012 18692 5151 1 13 . 1 1 21 21 ILE HA H 21 3.697 3.697 3.886 -0.189 18692 5152 1 13 . 1 1 21 21 ILE C C 21 181.696 181.696 177.549 4.147 18692 5153 1 13 . 1 1 21 21 ILE CA C 21 65.174 65.174 62.318 2.857 18692 5154 1 13 . 1 1 21 21 ILE CB C 21 38.420 38.420 37.913 0.507 18692 5155 1 13 . 1 1 21 21 ILE H H 21 7.750 7.750 7.010 0.740 18692 5156 1 13 . 1 1 22 22 GLU N N 22 116.656 116.656 120.646 -3.990 18692 5157 1 13 . 1 1 22 22 GLU HA H 22 3.891 3.891 3.994 -0.103 18692 5158 1 13 . 1 1 22 22 GLU C C 22 180.424 180.424 179.122 1.302 18692 5159 1 13 . 1 1 22 22 GLU CA C 22 59.864 59.864 59.049 0.815 18692 5160 1 13 . 1 1 22 22 GLU CB C 22 30.047 30.047 28.880 1.167 18692 5161 1 13 . 1 1 22 22 GLU H H 22 8.203 8.203 7.645 0.558 18692 5162 1 13 . 1 1 23 23 LYS N N 23 113.426 113.426 118.280 -4.854 18692 5163 1 13 . 1 1 23 23 LYS HA H 23 4.392 4.392 4.084 0.308 18692 5164 1 13 . 1 1 23 23 LYS C C 23 180.639 180.639 177.865 2.774 18692 5165 1 13 . 1 1 23 23 LYS CA C 23 57.952 57.952 58.850 -0.898 18692 5166 1 13 . 1 1 23 23 LYS CB C 23 34.655 34.655 32.364 2.291 18692 5167 1 13 . 1 1 23 23 LYS H H 23 8.713 8.713 7.469 1.244 18692 5168 1 13 . 1 1 24 24 GLU N N 24 115.943 115.943 116.426 -0.483 18692 5169 1 13 . 1 1 24 24 GLU HA H 24 4.730 4.730 4.213 0.517 18692 5170 1 13 . 1 1 24 24 GLU C C 24 177.407 177.407 176.513 0.894 18692 5171 1 13 . 1 1 24 24 GLU CA C 24 56.241 56.241 56.516 -0.275 18692 5172 1 13 . 1 1 24 24 GLU CB C 24 30.664 30.664 30.212 0.452 18692 5173 1 13 . 1 1 24 24 GLU H H 24 8.225 8.225 7.764 0.461 18692 5174 1 13 . 1 1 25 25 MET N N 25 115.075 115.075 118.550 -3.475 18692 5175 1 13 . 1 1 25 25 MET HA H 25 4.832 4.832 4.515 0.317 18692 5176 1 13 . 1 1 25 25 MET C C 25 177.286 177.286 176.240 1.046 18692 5177 1 13 . 1 1 25 25 MET CA C 25 55.022 55.022 54.313 0.709 18692 5178 1 13 . 1 1 25 25 MET CB C 25 37.416 37.416 32.983 4.433 18692 5179 1 13 . 1 1 25 25 MET H H 25 6.860 6.860 7.397 -0.537 18692 5180 1 13 . 1 1 26 26 GLN N N 26 122.801 122.801 120.734 2.067 18692 5181 1 13 . 1 1 26 26 GLN HA H 26 4.345 4.345 4.427 -0.082 18692 5182 1 13 . 1 1 26 26 GLN C C 26 175.718 175.718 175.723 -0.005 18692 5183 1 13 . 1 1 26 26 GLN CA C 26 52.909 52.909 55.573 -2.664 18692 5184 1 13 . 1 1 26 26 GLN CB C 26 28.417 28.417 29.096 -0.679 18692 5185 1 13 . 1 1 26 26 GLN H H 26 9.264 9.264 8.372 0.892 18692 5186 1 13 . 1 1 27 27 PRO HA H 27 3.915 3.915 4.315 -0.400 18692 5187 1 13 . 1 1 27 27 PRO C C 27 177.450 177.450 175.825 1.625 18692 5188 1 13 . 1 1 27 27 PRO CA C 27 64.908 64.908 64.662 0.246 18692 5189 1 13 . 1 1 27 27 PRO CB C 27 31.265 31.265 32.267 -1.002 18692 5190 1 13 . 1 1 28 28 ASN N N 28 118.995 118.995 114.052 4.943 18692 5191 1 13 . 1 1 28 28 ASN HA H 28 4.475 4.475 5.243 -0.768 18692 5192 1 13 . 1 1 28 28 ASN C C 28 179.421 179.421 174.285 5.136 18692 5193 1 13 . 1 1 28 28 ASN CA C 28 55.368 55.368 52.596 2.772 18692 5194 1 13 . 1 1 28 28 ASN CB C 28 38.967 38.967 39.985 -1.018 18692 5195 1 13 . 1 1 28 28 ASN H H 28 8.458 8.458 8.162 0.296 18692 5196 1 13 . 1 1 29 29 GLU N N 29 123.128 123.128 119.715 3.413 18692 5197 1 13 . 1 1 29 29 GLU HA H 29 4.291 4.291 4.618 -0.327 18692 5198 1 13 . 1 1 29 29 GLU C C 29 175.883 175.883 174.216 1.667 18692 5199 1 13 . 1 1 29 29 GLU CA C 29 56.876 56.876 54.399 2.477 18692 5200 1 13 . 1 1 29 29 GLU CB C 29 31.863 31.863 33.538 -1.675 18692 5201 1 13 . 1 1 29 29 GLU H H 29 8.294 8.294 7.594 0.700 18692 5202 1 13 . 1 1 30 30 VAL N N 30 123.635 123.635 119.332 4.303 18692 5203 1 13 . 1 1 30 30 VAL HA H 30 5.293 5.293 4.799 0.494 18692 5204 1 13 . 1 1 30 30 VAL C C 30 177.201 177.201 175.261 1.940 18692 5205 1 13 . 1 1 30 30 VAL CA C 30 60.562 60.562 59.833 0.729 18692 5206 1 13 . 1 1 30 30 VAL CB C 30 33.419 33.419 34.864 -1.445 18692 5207 1 13 . 1 1 30 30 VAL H H 30 8.067 8.067 8.405 -0.338 18692 5208 1 13 . 1 1 31 31 ALA N N 31 127.391 127.391 131.044 -3.653 18692 5209 1 13 . 1 1 31 31 ALA HA H 31 4.919 4.919 5.001 -0.082 18692 5210 1 13 . 1 1 31 31 ALA C C 31 176.179 176.179 175.902 0.277 18692 5211 1 13 . 1 1 31 31 ALA CA C 31 51.470 51.470 49.927 1.543 18692 5212 1 13 . 1 1 31 31 ALA CB C 31 24.772 24.772 20.896 3.876 18692 5213 1 13 . 1 1 31 31 ALA H H 31 9.086 9.086 8.350 0.736 18692 5214 1 13 . 1 1 32 32 ILE N N 32 118.468 118.468 126.106 -7.638 18692 5215 1 13 . 1 1 32 32 ILE HA H 32 5.102 5.102 4.400 0.702 18692 5216 1 13 . 1 1 32 32 ILE C C 32 176.300 176.300 174.663 1.637 18692 5217 1 13 . 1 1 32 32 ILE CA C 32 59.604 59.604 60.718 -1.114 18692 5218 1 13 . 1 1 32 32 ILE CB C 32 41.416 41.416 38.811 2.605 18692 5219 1 13 . 1 1 32 32 ILE H H 32 8.175 8.175 8.036 0.139 18692 5220 1 13 . 1 1 33 33 PHE N N 33 123.926 123.926 127.889 -3.963 18692 5221 1 13 . 1 1 33 33 PHE HA H 33 5.407 5.407 5.529 -0.122 18692 5222 1 13 . 1 1 33 33 PHE C C 33 176.695 176.695 176.075 0.620 18692 5223 1 13 . 1 1 33 33 PHE CA C 33 56.627 56.627 55.059 1.568 18692 5224 1 13 . 1 1 33 33 PHE CB C 33 41.583 41.583 39.336 2.247 18692 5225 1 13 . 1 1 33 33 PHE H H 33 9.277 9.277 8.914 0.363 18692 5226 1 13 . 1 1 34 34 MET N N 34 120.519 120.519 124.441 -3.922 18692 5227 1 13 . 1 1 34 34 MET HA H 34 5.517 5.517 5.316 0.201 18692 5228 1 13 . 1 1 34 34 MET C C 34 177.123 177.123 175.392 1.731 18692 5229 1 13 . 1 1 34 34 MET CA C 34 53.515 53.515 55.938 -2.422 18692 5230 1 13 . 1 1 34 34 MET CB C 34 36.447 36.447 34.118 2.329 18692 5231 1 13 . 1 1 34 34 MET H H 34 8.606 8.606 8.851 -0.245 18692 5232 1 13 . 1 1 35 35 PHE N N 35 118.119 118.119 120.215 -2.096 18692 5233 1 13 . 1 1 35 35 PHE HA H 35 4.642 4.642 5.210 -0.568 18692 5234 1 13 . 1 1 35 35 PHE C C 35 175.188 175.188 174.169 1.019 18692 5235 1 13 . 1 1 35 35 PHE CA C 35 56.100 56.100 55.932 0.168 18692 5236 1 13 . 1 1 35 35 PHE CB C 35 41.450 41.450 41.179 0.271 18692 5237 1 13 . 1 1 35 35 PHE H H 35 8.832 8.832 9.028 -0.196 18692 5238 1 13 . 1 1 36 36 GLU N N 36 120.598 120.598 122.823 -2.225 18692 5239 1 13 . 1 1 36 36 GLU HA H 36 4.890 4.890 4.251 0.639 18692 5240 1 13 . 1 1 36 36 GLU C C 36 179.258 179.258 175.586 3.672 18692 5241 1 13 . 1 1 36 36 GLU CA C 36 57.184 57.184 56.191 0.993 18692 5242 1 13 . 1 1 36 36 GLU CB C 36 30.844 30.844 29.928 0.916 18692 5243 1 13 . 1 1 36 36 GLU H H 36 9.421 9.421 8.847 0.574 18692 5244 1 13 . 1 1 37 37 VAL N N 37 122.817 122.817 119.591 3.226 18692 5245 1 13 . 1 1 37 37 VAL HA H 37 4.230 4.230 4.178 0.052 18692 5246 1 13 . 1 1 37 37 VAL C C 37 176.550 176.550 177.075 -0.525 18692 5247 1 13 . 1 1 37 37 VAL CA C 37 65.923 65.923 62.323 3.600 18692 5248 1 13 . 1 1 37 37 VAL H H 37 9.005 9.005 7.481 1.524 18692 5249 1 13 . 1 1 38 38 GLY N N 38 109.660 109.660 108.752 0.908 18692 5250 1 13 . 1 1 38 38 GLY C C 38 173.860 173.860 174.097 -0.237 18692 5251 1 13 . 1 1 38 38 GLY CA C 38 44.560 44.560 44.859 -0.299 18692 5252 1 13 . 1 1 38 38 GLY H H 38 8.440 8.440 8.573 -0.133 18692 5253 1 13 . 1 1 39 39 ASP N N 39 119.440 119.440 121.844 -2.404 18692 5254 1 13 . 1 1 39 39 ASP HA H 39 4.910 4.910 4.493 0.417 18692 5255 1 13 . 1 1 39 39 ASP C C 39 177.550 177.550 175.343 2.207 18692 5256 1 13 . 1 1 39 39 ASP CA C 39 54.420 54.420 53.873 0.547 18692 5257 1 13 . 1 1 39 39 ASP CB C 39 37.150 37.150 39.420 -2.270 18692 5258 1 13 . 1 1 39 39 ASP H H 39 8.330 8.330 8.270 0.060 18692 5259 1 13 . 1 1 40 40 PHE N N 40 123.361 123.361 121.222 2.139 18692 5260 1 13 . 1 1 40 40 PHE HA H 40 4.620 4.620 4.325 0.295 18692 5261 1 13 . 1 1 40 40 PHE CA C 40 56.250 56.250 58.164 -1.914 18692 5262 1 13 . 1 1 40 40 PHE CB C 40 36.150 36.150 39.033 -2.883 18692 5263 1 13 . 1 1 40 40 PHE H H 40 7.949 7.949 7.258 0.691 18692 5264 1 13 . 1 1 41 41 SER N N 41 121.483 121.483 114.858 6.625 18692 5265 1 13 . 1 1 41 41 SER HA H 41 4.492 4.492 3.923 0.569 18692 5266 1 13 . 1 1 41 41 SER C C 41 174.554 174.554 175.676 -1.122 18692 5267 1 13 . 1 1 41 41 SER CA C 41 59.660 59.660 59.139 0.521 18692 5268 1 13 . 1 1 41 41 SER CB C 41 63.220 63.220 62.945 0.275 18692 5269 1 13 . 1 1 41 41 SER H H 41 8.519 8.519 7.596 0.923 18692 5270 1 13 . 1 1 42 42 ASN N N 42 118.920 118.920 118.308 0.612 18692 5271 1 13 . 1 1 42 42 ASN HA H 42 4.910 4.910 4.575 0.335 18692 5272 1 13 . 1 1 42 42 ASN CA C 42 53.490 53.490 55.214 -1.724 18692 5273 1 13 . 1 1 42 42 ASN CB C 42 38.120 38.120 38.651 -0.531 18692 5274 1 13 . 1 1 42 42 ASN H H 42 8.330 8.330 7.918 0.412 18692 5275 1 13 . 1 1 43 43 ILE N N 43 121.540 121.540 121.179 0.361 18692 5276 1 13 . 1 1 43 43 ILE HA H 43 4.180 4.180 3.801 0.379 18692 5277 1 13 . 1 1 43 43 ILE CA C 43 60.110 60.110 65.749 -5.639 18692 5278 1 13 . 1 1 43 43 ILE CB C 43 38.440 38.440 35.196 3.244 18692 5279 1 13 . 1 1 43 43 ILE H H 43 8.293 8.293 7.502 0.791 18692 5280 1 13 . 1 1 44 44 PRO HA H 44 4.461 4.461 4.356 0.105 18692 5281 1 13 . 1 1 44 44 PRO C C 44 176.465 176.465 178.641 -2.176 18692 5282 1 13 . 1 1 44 44 PRO CA C 44 65.358 65.358 65.278 0.080 18692 5283 1 13 . 1 1 44 44 PRO CB C 44 30.441 30.441 31.075 -0.634 18692 5284 1 13 . 1 1 45 45 LYS N N 45 116.236 116.236 119.143 -2.907 18692 5285 1 13 . 1 1 45 45 LYS HA H 45 4.128 4.128 4.011 0.117 18692 5286 1 13 . 1 1 45 45 LYS C C 45 181.467 181.467 178.667 2.800 18692 5287 1 13 . 1 1 45 45 LYS CA C 45 59.712 59.712 59.475 0.237 18692 5288 1 13 . 1 1 45 45 LYS CB C 45 33.281 33.281 32.043 1.238 18692 5289 1 13 . 1 1 45 45 LYS H H 45 7.270 7.270 7.735 -0.465 18692 5290 1 13 . 1 1 46 46 SER N N 46 116.059 116.059 114.933 1.126 18692 5291 1 13 . 1 1 46 46 SER HA H 46 4.080 4.080 4.324 -0.244 18692 5292 1 13 . 1 1 46 46 SER C C 46 177.432 177.432 176.166 1.266 18692 5293 1 13 . 1 1 46 46 SER CA C 46 63.202 63.202 60.769 2.433 18692 5294 1 13 . 1 1 46 46 SER CB C 46 62.118 62.118 62.928 -0.810 18692 5295 1 13 . 1 1 46 46 SER H H 46 8.293 8.293 7.558 0.735 18692 5296 1 13 . 1 1 47 47 ALA N N 47 126.579 126.579 123.400 3.179 18692 5297 1 13 . 1 1 47 47 ALA HA H 47 4.128 4.128 3.989 0.139 18692 5298 1 13 . 1 1 47 47 ALA C C 47 181.528 181.528 178.660 2.868 18692 5299 1 13 . 1 1 47 47 ALA CA C 47 55.704 55.704 54.514 1.190 18692 5300 1 13 . 1 1 47 47 ALA CB C 47 18.326 18.326 18.281 0.045 18692 5301 1 13 . 1 1 47 47 ALA H H 47 6.990 6.990 7.606 -0.616 18692 5302 1 13 . 1 1 48 48 GLU N N 48 117.980 117.980 118.108 -0.128 18692 5303 1 13 . 1 1 48 48 GLU HA H 48 4.062 4.062 3.184 0.878 18692 5304 1 13 . 1 1 48 48 GLU C C 48 180.822 180.822 178.793 2.029 18692 5305 1 13 . 1 1 48 48 GLU CA C 48 59.100 59.100 58.073 1.027 18692 5306 1 13 . 1 1 48 48 GLU CB C 48 29.770 29.770 29.470 0.300 18692 5307 1 13 . 1 1 48 48 GLU H H 48 7.863 7.863 7.451 0.412 18692 5308 1 13 . 1 1 49 49 PHE N N 49 122.179 122.179 118.874 3.305 18692 5309 1 13 . 1 1 49 49 PHE HA H 49 4.117 4.117 4.131 -0.014 18692 5310 1 13 . 1 1 49 49 PHE C C 49 179.580 179.580 177.143 2.437 18692 5311 1 13 . 1 1 49 49 PHE CA C 49 57.813 57.813 60.850 -3.037 18692 5312 1 13 . 1 1 49 49 PHE CB C 49 41.695 41.695 38.935 2.760 18692 5313 1 13 . 1 1 49 49 PHE H H 49 8.341 8.341 7.472 0.869 18692 5314 1 13 . 1 1 50 50 ILE N N 50 117.469 117.469 116.778 0.691 18692 5315 1 13 . 1 1 50 50 ILE HA H 50 3.533 3.533 3.940 -0.407 18692 5316 1 13 . 1 1 50 50 ILE C C 50 179.698 179.698 176.275 3.423 18692 5317 1 13 . 1 1 50 50 ILE CA C 50 62.884 62.884 62.960 -0.076 18692 5318 1 13 . 1 1 50 50 ILE CB C 50 36.669 36.669 37.705 -1.036 18692 5319 1 13 . 1 1 50 50 ILE H H 50 8.322 8.322 7.294 1.028 18692 5320 1 13 . 1 1 51 51 GLN N N 51 117.190 117.190 116.433 0.757 18692 5321 1 13 . 1 1 51 51 GLN HA H 51 4.261 4.261 4.394 -0.133 18692 5322 1 13 . 1 1 51 51 GLN C C 51 182.627 182.627 175.362 7.265 18692 5323 1 13 . 1 1 51 51 GLN CA C 51 58.862 58.862 55.545 3.317 18692 5324 1 13 . 1 1 51 51 GLN CB C 51 28.451 28.451 30.895 -2.444 18692 5325 1 13 . 1 1 51 51 GLN H H 51 7.887 7.887 7.408 0.479 18692 5326 1 13 . 1 1 52 52 SER N N 52 117.670 117.670 118.992 -1.322 18692 5327 1 13 . 1 1 52 52 SER HA H 52 4.137 4.137 4.200 -0.063 18692 5328 1 13 . 1 1 52 52 SER CA C 52 61.401 61.401 60.834 0.567 18692 5329 1 13 . 1 1 52 52 SER CB C 52 62.615 62.615 63.455 -0.839 18692 5330 1 13 . 1 1 52 52 SER H H 52 8.556 8.556 8.715 -0.159 18692 5331 1 13 . 1 1 53 53 LYS N N 53 119.008 119.008 118.221 0.787 18692 5332 1 13 . 1 1 53 53 LYS HA H 53 4.170 4.170 4.446 -0.276 18692 5333 1 13 . 1 1 53 53 LYS C C 53 177.911 177.911 175.493 2.418 18692 5334 1 13 . 1 1 53 53 LYS CA C 53 54.662 54.662 55.768 -1.106 18692 5335 1 13 . 1 1 53 53 LYS CB C 53 32.652 32.652 34.042 -1.390 18692 5336 1 13 . 1 1 53 53 LYS H H 53 7.064 7.064 7.433 -0.369 18692 5337 1 13 . 1 1 54 54 GLY N N 54 105.188 105.188 110.752 -5.564 18692 5338 1 13 . 1 1 54 54 GLY C C 54 175.528 175.528 173.087 2.441 18692 5339 1 13 . 1 1 54 54 GLY CA C 54 45.118 45.118 45.138 -0.020 18692 5340 1 13 . 1 1 54 54 GLY H H 54 7.548 7.548 8.627 -1.079 18692 5341 1 13 . 1 1 55 55 HIS N N 55 118.294 118.294 119.326 -1.032 18692 5342 1 13 . 1 1 55 55 HIS HA H 55 4.947 4.947 5.368 -0.421 18692 5343 1 13 . 1 1 55 55 HIS C C 55 175.240 175.240 173.785 1.455 18692 5344 1 13 . 1 1 55 55 HIS CA C 55 54.847 54.847 53.479 1.368 18692 5345 1 13 . 1 1 55 55 HIS CB C 55 31.315 31.315 30.411 0.904 18692 5346 1 13 . 1 1 55 55 HIS H H 55 6.998 6.998 7.890 -0.892 18692 5347 1 13 . 1 1 56 56 GLU N N 56 118.205 118.205 125.160 -6.955 18692 5348 1 13 . 1 1 56 56 GLU HA H 56 4.666 4.666 4.513 0.153 18692 5349 1 13 . 1 1 56 56 GLU C C 56 176.766 176.766 174.996 1.770 18692 5350 1 13 . 1 1 56 56 GLU CA C 56 55.162 55.162 54.925 0.237 18692 5351 1 13 . 1 1 56 56 GLU CB C 56 33.110 33.110 32.627 0.483 18692 5352 1 13 . 1 1 56 56 GLU H H 56 8.509 8.509 8.132 0.377 18692 5353 1 13 . 1 1 57 57 LEU N N 57 127.769 127.769 127.000 0.769 18692 5354 1 13 . 1 1 57 57 LEU HA H 57 4.786 4.786 4.727 0.059 18692 5355 1 13 . 1 1 57 57 LEU C C 57 177.854 177.854 177.644 0.210 18692 5356 1 13 . 1 1 57 57 LEU CA C 57 53.780 53.780 53.984 -0.204 18692 5357 1 13 . 1 1 57 57 LEU CB C 57 42.676 42.676 40.401 2.275 18692 5358 1 13 . 1 1 57 57 LEU H H 57 8.978 8.978 8.821 0.157 18692 5359 1 13 . 1 1 58 58 LEU N N 58 128.364 128.364 124.989 3.375 18692 5360 1 13 . 1 1 58 58 LEU HA H 58 4.402 4.402 4.007 0.395 18692 5361 1 13 . 1 1 58 58 LEU C C 58 179.469 179.469 177.235 2.234 18692 5362 1 13 . 1 1 58 58 LEU CA C 58 56.534 56.534 57.641 -1.107 18692 5363 1 13 . 1 1 58 58 LEU CB C 58 42.371 42.371 42.704 -0.333 18692 5364 1 13 . 1 1 58 58 LEU H H 58 9.128 9.128 8.018 1.110 18692 5365 1 13 . 1 1 59 59 ASN N N 59 113.622 113.622 114.637 -1.015 18692 5366 1 13 . 1 1 59 59 ASN HA H 59 4.918 4.918 4.844 0.074 18692 5367 1 13 . 1 1 59 59 ASN C C 59 175.560 175.560 174.058 1.502 18692 5368 1 13 . 1 1 59 59 ASN CA C 59 52.389 52.389 52.468 -0.079 18692 5369 1 13 . 1 1 59 59 ASN CB C 59 41.887 41.887 40.573 1.314 18692 5370 1 13 . 1 1 59 59 ASN H H 59 7.574 7.574 7.916 -0.342 18692 5371 1 13 . 1 1 60 60 SER N N 60 118.134 118.134 120.340 -2.206 18692 5372 1 13 . 1 1 60 60 SER HA H 60 4.045 4.045 4.475 -0.430 18692 5373 1 13 . 1 1 60 60 SER CA C 60 56.925 56.925 58.010 -1.085 18692 5374 1 13 . 1 1 60 60 SER CB C 60 63.649 63.649 63.820 -0.171 18692 5375 1 13 . 1 1 60 60 SER H H 60 8.436 8.436 8.594 -0.158 18692 5376 1 13 . 1 1 61 61 LEU N N 61 128.266 128.266 123.226 5.040 18692 5377 1 13 . 1 1 61 61 LEU HA H 61 4.219 4.219 4.611 -0.392 18692 5378 1 13 . 1 1 61 61 LEU CA C 61 55.106 55.106 55.619 -0.513 18692 5379 1 13 . 1 1 61 61 LEU CB C 61 44.577 44.577 42.394 2.183 18692 5380 1 13 . 1 1 61 61 LEU H H 61 8.725 8.725 8.379 0.346 18692 5381 1 13 . 1 1 62 62 ARG N N 62 122.383 122.383 124.082 -1.699 18692 5382 1 13 . 1 1 62 62 ARG HA H 62 4.312 4.312 4.127 0.185 18692 5383 1 13 . 1 1 62 62 ARG C C 62 176.560 176.560 176.112 0.448 18692 5384 1 13 . 1 1 62 62 ARG CA C 62 57.290 57.290 54.702 2.588 18692 5385 1 13 . 1 1 62 62 ARG CB C 62 30.828 30.828 27.449 3.379 18692 5386 1 13 . 1 1 62 62 ARG H H 62 7.303 7.303 9.123 -1.820 18692 5387 1 13 . 1 1 63 63 PHE N N 63 120.560 120.560 122.937 -2.377 18692 5388 1 13 . 1 1 63 63 PHE HA H 63 4.613 4.613 4.305 0.308 18692 5389 1 13 . 1 1 63 63 PHE CA C 63 61.377 61.377 60.566 0.811 18692 5390 1 13 . 1 1 63 63 PHE CB C 63 39.908 39.908 39.143 0.765 18692 5391 1 13 . 1 1 63 63 PHE H H 63 8.321 8.321 8.123 0.198 18692 5392 1 13 . 1 1 64 64 ASN N N 64 117.616 117.616 116.168 1.448 18692 5393 1 13 . 1 1 64 64 ASN HA H 64 4.377 4.377 3.735 0.642 18692 5394 1 13 . 1 1 64 64 ASN C C 64 176.642 176.642 175.692 0.950 18692 5395 1 13 . 1 1 64 64 ASN CA C 64 53.465 53.465 54.600 -1.135 18692 5396 1 13 . 1 1 64 64 ASN CB C 64 37.450 37.450 38.027 -0.577 18692 5397 1 13 . 1 1 64 64 ASN H H 64 8.101 8.101 8.350 -0.249 18692 5398 1 13 . 1 1 65 65 GLN N N 65 115.548 115.548 117.970 -2.422 18692 5399 1 13 . 1 1 65 65 GLN HA H 65 4.275 4.275 4.311 -0.036 18692 5400 1 13 . 1 1 65 65 GLN C C 65 178.411 178.411 174.683 3.728 18692 5401 1 13 . 1 1 65 65 GLN CA C 65 59.127 59.127 54.889 4.238 18692 5402 1 13 . 1 1 65 65 GLN CB C 65 28.650 28.650 31.142 -2.492 18692 5403 1 13 . 1 1 65 65 GLN H H 65 8.330 8.330 7.653 0.677 18692 5404 1 13 . 1 1 66 66 ALA N N 66 120.802 120.802 122.271 -1.469 18692 5405 1 13 . 1 1 66 66 ALA HA H 66 4.652 4.652 4.215 0.437 18692 5406 1 13 . 1 1 66 66 ALA C C 66 178.893 178.893 177.065 1.828 18692 5407 1 13 . 1 1 66 66 ALA CA C 66 52.751 52.751 52.336 0.415 18692 5408 1 13 . 1 1 66 66 ALA CB C 66 21.705 21.705 19.344 2.361 18692 5409 1 13 . 1 1 66 66 ALA H H 66 8.346 8.346 8.293 0.053 18692 5410 1 13 . 1 1 67 67 ASP N N 67 118.909 118.909 118.628 0.281 18692 5411 1 13 . 1 1 67 67 ASP HA H 67 4.612 4.612 4.380 0.232 18692 5412 1 13 . 1 1 67 67 ASP C C 67 175.639 175.639 175.322 0.317 18692 5413 1 13 . 1 1 67 67 ASP CA C 67 54.726 54.726 54.855 -0.129 18692 5414 1 13 . 1 1 67 67 ASP CB C 67 45.152 45.152 39.522 5.630 18692 5415 1 13 . 1 1 67 67 ASP H H 67 8.117 8.117 8.263 -0.146 18692 5416 1 13 . 1 1 68 68 TRP HA H 68 4.477 4.477 4.822 -0.345 18692 5417 1 13 . 1 1 68 68 TRP CA C 68 56.253 56.253 56.054 0.199 18692 5418 1 13 . 1 1 68 68 TRP CB C 68 33.719 33.719 33.697 0.023 18692 5419 1 13 . 1 1 68 68 TRP H H 68 8.310 8.310 7.973 0.337 18692 5420 1 13 . 1 1 69 69 THR N N 69 114.495 114.495 111.975 2.520 18692 5421 1 13 . 1 1 69 69 THR HA H 69 5.605 5.605 4.861 0.744 18692 5422 1 13 . 1 1 69 69 THR C C 69 176.005 176.005 173.206 2.799 18692 5423 1 13 . 1 1 69 69 THR CA C 69 58.855 58.855 60.549 -1.694 18692 5424 1 13 . 1 1 69 69 THR CB C 69 72.755 72.755 70.671 2.084 18692 5425 1 13 . 1 1 69 69 THR H H 69 7.985 7.985 8.116 -0.131 18692 5426 1 13 . 1 1 70 70 ILE N N 70 114.448 114.448 125.886 -11.438 18692 5427 1 13 . 1 1 70 70 ILE HA H 70 5.384 5.384 4.673 0.711 18692 5428 1 13 . 1 1 70 70 ILE C C 70 175.751 175.751 173.852 1.899 18692 5429 1 13 . 1 1 70 70 ILE CA C 70 59.637 59.637 59.059 0.578 18692 5430 1 13 . 1 1 70 70 ILE CB C 70 41.689 41.689 41.758 -0.069 18692 5431 1 13 . 1 1 70 70 ILE H H 70 8.807 8.807 8.124 0.683 18692 5432 1 13 . 1 1 71 71 VAL N N 71 124.084 124.084 126.549 -2.465 18692 5433 1 13 . 1 1 71 71 VAL HA H 71 5.012 5.012 4.744 0.268 18692 5434 1 13 . 1 1 71 71 VAL C C 71 177.625 177.625 174.593 3.032 18692 5435 1 13 . 1 1 71 71 VAL CA C 71 61.647 61.647 60.803 0.843 18692 5436 1 13 . 1 1 71 71 VAL CB C 71 32.482 32.482 32.633 -0.151 18692 5437 1 13 . 1 1 71 71 VAL H H 71 8.500 8.500 8.495 0.005 18692 5438 1 13 . 1 1 72 72 VAL N N 72 127.753 127.753 124.785 2.968 18692 5439 1 13 . 1 1 72 72 VAL HA H 72 5.147 5.147 4.438 0.709 18692 5440 1 13 . 1 1 72 72 VAL C C 72 175.444 175.444 175.078 0.366 18692 5441 1 13 . 1 1 72 72 VAL CA C 72 60.252 60.252 60.474 -0.222 18692 5442 1 13 . 1 1 72 72 VAL CB C 72 37.425 37.425 34.061 3.364 18692 5443 1 13 . 1 1 72 72 VAL H H 72 9.280 9.280 8.368 0.912 18692 5444 1 13 . 1 1 73 73 ARG N N 73 125.839 125.839 126.607 -0.768 18692 5445 1 13 . 1 1 73 73 ARG HA H 73 5.458 5.458 5.301 0.157 18692 5446 1 13 . 1 1 73 73 ARG C C 73 177.981 177.981 176.128 1.853 18692 5447 1 13 . 1 1 73 73 ARG CA C 73 53.788 53.788 54.126 -0.338 18692 5448 1 13 . 1 1 73 73 ARG CB C 73 33.855 33.855 30.933 2.922 18692 5449 1 13 . 1 1 73 73 ARG H H 73 9.194 9.194 8.286 0.908 18692 5450 1 13 . 1 1 74 74 LYS N N 74 129.522 129.522 125.921 3.601 18692 5451 1 13 . 1 1 74 74 LYS HA H 74 4.323 4.323 4.416 -0.093 18692 5452 1 13 . 1 1 74 74 LYS C C 74 178.340 178.340 176.300 2.040 18692 5453 1 13 . 1 1 74 74 LYS CA C 74 55.983 55.983 57.333 -1.350 18692 5454 1 13 . 1 1 74 74 LYS CB C 74 33.103 33.103 33.657 -0.554 18692 5455 1 13 . 1 1 74 74 LYS H H 74 10.930 10.930 8.148 2.782 18692 5456 1 13 . 1 1 75 75 LYS N N 75 131.817 131.817 118.280 13.537 18692 5457 1 13 . 1 1 75 75 LYS HA H 75 4.489 4.489 4.701 -0.212 18692 5458 1 13 . 1 1 75 75 LYS CA C 75 55.927 55.927 55.655 0.272 18692 5459 1 13 . 1 1 75 75 LYS CB C 75 29.730 29.730 36.547 -6.817 18692 5460 1 13 . 1 1 75 75 LYS H H 75 10.873 10.873 8.222 2.651 18692 5461 1 14 . 1 1 2 2 LYS N N 2 127.399 127.399 117.780 9.619 18692 5462 1 14 . 1 1 2 2 LYS HA H 2 3.954 3.954 3.971 -0.017 18692 5463 1 14 . 1 1 2 2 LYS C C 2 175.826 175.826 174.310 1.516 18692 5464 1 14 . 1 1 2 2 LYS CA C 2 57.475 57.475 57.610 -0.135 18692 5465 1 14 . 1 1 2 2 LYS CB C 2 34.009 34.009 30.455 3.554 18692 5466 1 14 . 1 1 2 2 LYS H H 2 9.167 9.167 8.448 0.719 18692 5467 1 14 . 1 1 3 3 ARG N N 3 121.207 121.207 116.638 4.569 18692 5468 1 14 . 1 1 3 3 ARG HA H 3 4.797 4.797 4.805 -0.008 18692 5469 1 14 . 1 1 3 3 ARG C C 3 176.719 176.719 174.241 2.478 18692 5470 1 14 . 1 1 3 3 ARG CA C 3 54.082 54.082 54.977 -0.895 18692 5471 1 14 . 1 1 3 3 ARG CB C 3 32.816 32.816 32.890 -0.074 18692 5472 1 14 . 1 1 3 3 ARG H H 3 7.705 7.705 7.706 -0.001 18692 5473 1 14 . 1 1 4 4 PHE N N 4 124.380 124.380 121.084 3.296 18692 5474 1 14 . 1 1 4 4 PHE HA H 4 4.729 4.729 4.817 -0.088 18692 5475 1 14 . 1 1 4 4 PHE C C 4 176.180 176.180 174.424 1.756 18692 5476 1 14 . 1 1 4 4 PHE CA C 4 56.584 56.584 57.103 -0.519 18692 5477 1 14 . 1 1 4 4 PHE CB C 4 41.758 41.758 42.363 -0.605 18692 5478 1 14 . 1 1 4 4 PHE H H 4 8.913 8.913 9.477 -0.564 18692 5479 1 14 . 1 1 5 5 ASP N N 5 123.331 123.331 129.113 -5.782 18692 5480 1 14 . 1 1 5 5 ASP HA H 5 4.390 4.390 4.873 -0.483 18692 5481 1 14 . 1 1 5 5 ASP C C 5 177.524 177.524 175.468 2.056 18692 5482 1 14 . 1 1 5 5 ASP CA C 5 53.344 53.344 54.609 -1.265 18692 5483 1 14 . 1 1 5 5 ASP CB C 5 41.043 41.043 40.827 0.216 18692 5484 1 14 . 1 1 5 5 ASP H H 5 9.113 9.113 8.714 0.399 18692 5485 1 14 . 1 1 6 6 LEU N N 6 122.540 122.540 123.324 -0.784 18692 5486 1 14 . 1 1 6 6 LEU HA H 6 4.304 4.304 4.410 -0.106 18692 5487 1 14 . 1 1 6 6 LEU CA C 6 55.260 55.260 55.275 -0.015 18692 5488 1 14 . 1 1 6 6 LEU CB C 6 42.680 42.680 41.841 0.839 18692 5489 1 14 . 1 1 6 6 LEU H H 6 8.305 8.305 8.211 0.094 18692 5490 1 14 . 1 1 7 7 ARG N N 7 121.715 121.715 121.802 -0.087 18692 5491 1 14 . 1 1 7 7 ARG HA H 7 4.156 4.156 4.129 0.027 18692 5492 1 14 . 1 1 7 7 ARG C C 7 177.664 177.664 175.610 2.054 18692 5493 1 14 . 1 1 7 7 ARG CA C 7 56.463 56.463 61.526 -5.063 18692 5494 1 14 . 1 1 7 7 ARG CB C 7 29.315 29.315 28.177 1.137 18692 5495 1 14 . 1 1 7 7 ARG H H 7 8.293 8.293 8.019 0.274 18692 5496 1 14 . 1 1 8 8 PRO HA H 8 4.365 4.365 4.379 -0.014 18692 5497 1 14 . 1 1 8 8 PRO C C 8 178.886 178.886 177.015 1.871 18692 5498 1 14 . 1 1 8 8 PRO CA C 8 65.193 65.193 64.316 0.878 18692 5499 1 14 . 1 1 8 8 PRO CB C 8 31.566 31.566 31.353 0.213 18692 5500 1 14 . 1 1 9 9 LEU N N 9 114.107 114.107 118.838 -4.731 18692 5501 1 14 . 1 1 9 9 LEU HA H 9 4.175 4.175 4.425 -0.250 18692 5502 1 14 . 1 1 9 9 LEU C C 9 178.897 178.897 175.761 3.136 18692 5503 1 14 . 1 1 9 9 LEU CA C 9 54.878 54.878 54.150 0.728 18692 5504 1 14 . 1 1 9 9 LEU CB C 9 41.222 41.222 41.765 -0.543 18692 5505 1 14 . 1 1 9 9 LEU H H 9 7.310 7.310 7.560 -0.250 18692 5506 1 14 . 1 1 10 10 LYS N N 10 116.563 116.563 116.321 0.242 18692 5507 1 14 . 1 1 10 10 LYS HA H 10 3.823 3.823 3.899 -0.076 18692 5508 1 14 . 1 1 10 10 LYS C C 10 178.805 178.805 174.863 3.942 18692 5509 1 14 . 1 1 10 10 LYS CA C 10 57.693 57.693 57.619 0.074 18692 5510 1 14 . 1 1 10 10 LYS CB C 10 34.124 34.124 30.997 3.127 18692 5511 1 14 . 1 1 10 10 LYS H H 10 8.132 8.132 7.329 0.803 18692 5512 1 14 . 1 1 11 11 ALA N N 11 124.134 124.134 122.538 1.596 18692 5513 1 14 . 1 1 11 11 ALA HA H 11 4.399 4.399 4.201 0.198 18692 5514 1 14 . 1 1 11 11 ALA C C 11 178.877 178.877 178.092 0.785 18692 5515 1 14 . 1 1 11 11 ALA CA C 11 53.292 53.292 51.703 1.589 18692 5516 1 14 . 1 1 11 11 ALA CB C 11 19.310 19.310 20.107 -0.797 18692 5517 1 14 . 1 1 11 11 ALA H H 11 8.239 8.239 8.088 0.151 18692 5518 1 14 . 1 1 12 12 GLY N N 12 108.661 108.661 109.507 -0.846 18692 5519 1 14 . 1 1 12 12 GLY C C 12 178.614 178.614 175.291 3.323 18692 5520 1 14 . 1 1 12 12 GLY CA C 12 47.640 47.640 46.474 1.166 18692 5521 1 14 . 1 1 12 12 GLY H H 12 8.186 8.186 9.172 -0.986 18692 5522 1 14 . 1 1 13 13 ILE N N 13 123.465 123.465 122.838 0.627 18692 5523 1 14 . 1 1 13 13 ILE HA H 13 4.150 4.150 4.216 -0.066 18692 5524 1 14 . 1 1 13 13 ILE C C 13 177.234 177.234 177.234 0.000 18692 5525 1 14 . 1 1 13 13 ILE CA C 13 60.500 60.500 62.141 -1.641 18692 5526 1 14 . 1 1 13 13 ILE CB C 13 36.970 36.970 38.715 -1.745 18692 5527 1 14 . 1 1 13 13 ILE H H 13 8.309 8.309 7.415 0.894 18692 5528 1 14 . 1 1 14 14 PHE N N 14 119.560 119.560 120.282 -0.722 18692 5529 1 14 . 1 1 14 14 PHE HA H 14 3.354 3.354 4.174 -0.820 18692 5530 1 14 . 1 1 14 14 PHE C C 14 179.301 179.301 176.511 2.790 18692 5531 1 14 . 1 1 14 14 PHE CA C 14 63.883 63.883 61.164 2.719 18692 5532 1 14 . 1 1 14 14 PHE CB C 14 37.608 37.608 37.734 -0.126 18692 5533 1 14 . 1 1 14 14 PHE H H 14 7.801 7.801 8.438 -0.637 18692 5534 1 14 . 1 1 15 15 GLU N N 15 121.567 121.567 119.235 2.332 18692 5535 1 14 . 1 1 15 15 GLU HA H 15 4.260 4.260 3.412 0.848 18692 5536 1 14 . 1 1 15 15 GLU C C 15 181.428 181.428 176.956 4.472 18692 5537 1 14 . 1 1 15 15 GLU CA C 15 60.579 60.579 57.615 2.964 18692 5538 1 14 . 1 1 15 15 GLU CB C 15 28.158 28.158 28.577 -0.419 18692 5539 1 14 . 1 1 15 15 GLU H H 15 8.331 8.331 8.130 0.201 18692 5540 1 14 . 1 1 16 16 ARG N N 16 121.602 121.602 119.044 2.558 18692 5541 1 14 . 1 1 16 16 ARG HA H 16 4.104 4.104 3.905 0.199 18692 5542 1 14 . 1 1 16 16 ARG C C 16 179.418 179.418 178.583 0.835 18692 5543 1 14 . 1 1 16 16 ARG CA C 16 56.877 56.877 58.557 -1.680 18692 5544 1 14 . 1 1 16 16 ARG CB C 16 29.397 29.397 30.293 -0.896 18692 5545 1 14 . 1 1 16 16 ARG H H 16 8.240 8.240 7.464 0.776 18692 5546 1 14 . 1 1 17 17 LEU N N 17 119.769 119.769 120.269 -0.500 18692 5547 1 14 . 1 1 17 17 LEU HA H 17 3.619 3.619 4.102 -0.483 18692 5548 1 14 . 1 1 17 17 LEU C C 17 179.136 179.136 178.154 0.982 18692 5549 1 14 . 1 1 17 17 LEU CA C 17 59.104 59.104 57.056 2.048 18692 5550 1 14 . 1 1 17 17 LEU CB C 17 42.770 42.770 41.497 1.273 18692 5551 1 14 . 1 1 17 17 LEU H H 17 8.134 8.134 8.180 -0.046 18692 5552 1 14 . 1 1 18 18 GLU N N 18 115.547 115.547 118.211 -2.664 18692 5553 1 14 . 1 1 18 18 GLU HA H 18 3.889 3.889 3.292 0.597 18692 5554 1 14 . 1 1 18 18 GLU C C 18 179.643 179.643 178.199 1.444 18692 5555 1 14 . 1 1 18 18 GLU CA C 18 59.929 59.929 59.379 0.550 18692 5556 1 14 . 1 1 18 18 GLU CB C 18 29.170 29.170 29.042 0.128 18692 5557 1 14 . 1 1 18 18 GLU H H 18 7.674 7.674 7.538 0.136 18692 5558 1 14 . 1 1 19 19 GLU N N 19 119.211 119.211 118.806 0.405 18692 5559 1 14 . 1 1 19 19 GLU HA H 19 4.047 4.047 4.005 0.042 18692 5560 1 14 . 1 1 19 19 GLU C C 19 180.374 180.374 178.125 2.249 18692 5561 1 14 . 1 1 19 19 GLU CA C 19 59.441 59.441 58.588 0.853 18692 5562 1 14 . 1 1 19 19 GLU CB C 19 30.269 30.269 29.418 0.851 18692 5563 1 14 . 1 1 19 19 GLU H H 19 7.782 7.782 7.416 0.366 18692 5564 1 14 . 1 1 20 20 LEU N N 20 119.264 119.264 119.952 -0.688 18692 5565 1 14 . 1 1 20 20 LEU HA H 20 3.761 3.761 3.972 -0.211 18692 5566 1 14 . 1 1 20 20 LEU C C 20 181.666 181.666 178.757 2.909 18692 5567 1 14 . 1 1 20 20 LEU CA C 20 57.862 57.862 57.663 0.200 18692 5568 1 14 . 1 1 20 20 LEU CB C 20 42.111 42.111 41.996 0.115 18692 5569 1 14 . 1 1 20 20 LEU H H 20 8.507 8.507 7.221 1.286 18692 5570 1 14 . 1 1 21 21 ILE N N 21 117.879 117.879 117.510 0.369 18692 5571 1 14 . 1 1 21 21 ILE HA H 21 3.697 3.697 3.853 -0.156 18692 5572 1 14 . 1 1 21 21 ILE C C 21 181.696 181.696 176.989 4.707 18692 5573 1 14 . 1 1 21 21 ILE CA C 21 65.174 65.174 62.029 3.145 18692 5574 1 14 . 1 1 21 21 ILE CB C 21 38.420 38.420 37.716 0.704 18692 5575 1 14 . 1 1 21 21 ILE H H 21 7.750 7.750 7.138 0.612 18692 5576 1 14 . 1 1 22 22 GLU N N 22 116.656 116.656 120.338 -3.682 18692 5577 1 14 . 1 1 22 22 GLU HA H 22 3.891 3.891 3.967 -0.076 18692 5578 1 14 . 1 1 22 22 GLU C C 22 180.424 180.424 178.623 1.801 18692 5579 1 14 . 1 1 22 22 GLU CA C 22 59.864 59.864 59.020 0.844 18692 5580 1 14 . 1 1 22 22 GLU CB C 22 30.047 30.047 28.892 1.155 18692 5581 1 14 . 1 1 22 22 GLU H H 22 8.203 8.203 7.564 0.639 18692 5582 1 14 . 1 1 23 23 LYS N N 23 113.426 113.426 116.993 -3.567 18692 5583 1 14 . 1 1 23 23 LYS HA H 23 4.392 4.392 4.095 0.297 18692 5584 1 14 . 1 1 23 23 LYS C C 23 180.639 180.639 178.194 2.445 18692 5585 1 14 . 1 1 23 23 LYS CA C 23 57.952 57.952 58.844 -0.892 18692 5586 1 14 . 1 1 23 23 LYS CB C 23 34.655 34.655 32.413 2.242 18692 5587 1 14 . 1 1 23 23 LYS H H 23 8.713 8.713 7.376 1.337 18692 5588 1 14 . 1 1 24 24 GLU N N 24 115.943 115.943 118.017 -2.074 18692 5589 1 14 . 1 1 24 24 GLU HA H 24 4.730 4.730 4.231 0.499 18692 5590 1 14 . 1 1 24 24 GLU C C 24 177.407 177.407 177.306 0.101 18692 5591 1 14 . 1 1 24 24 GLU CA C 24 56.241 56.241 57.036 -0.795 18692 5592 1 14 . 1 1 24 24 GLU CB C 24 30.664 30.664 30.642 0.022 18692 5593 1 14 . 1 1 24 24 GLU H H 24 8.225 8.225 7.660 0.565 18692 5594 1 14 . 1 1 25 25 MET N N 25 115.075 115.075 118.617 -3.542 18692 5595 1 14 . 1 1 25 25 MET HA H 25 4.832 4.832 4.274 0.558 18692 5596 1 14 . 1 1 25 25 MET C C 25 177.286 177.286 176.025 1.261 18692 5597 1 14 . 1 1 25 25 MET CA C 25 55.022 55.022 55.208 -0.186 18692 5598 1 14 . 1 1 25 25 MET CB C 25 37.416 37.416 32.584 4.832 18692 5599 1 14 . 1 1 25 25 MET H H 25 6.860 6.860 7.593 -0.733 18692 5600 1 14 . 1 1 26 26 GLN N N 26 122.801 122.801 121.030 1.771 18692 5601 1 14 . 1 1 26 26 GLN HA H 26 4.345 4.345 4.351 -0.006 18692 5602 1 14 . 1 1 26 26 GLN C C 26 175.718 175.718 176.112 -0.394 18692 5603 1 14 . 1 1 26 26 GLN CA C 26 52.909 52.909 55.773 -2.864 18692 5604 1 14 . 1 1 26 26 GLN CB C 26 28.417 28.417 28.978 -0.561 18692 5605 1 14 . 1 1 26 26 GLN H H 26 9.264 9.264 8.519 0.745 18692 5606 1 14 . 1 1 27 27 PRO HA H 27 3.915 3.915 4.365 -0.450 18692 5607 1 14 . 1 1 27 27 PRO C C 27 177.450 177.450 175.752 1.698 18692 5608 1 14 . 1 1 27 27 PRO CA C 27 64.908 64.908 64.825 0.083 18692 5609 1 14 . 1 1 27 27 PRO CB C 27 31.265 31.265 32.014 -0.749 18692 5610 1 14 . 1 1 28 28 ASN N N 28 118.995 118.995 113.547 5.448 18692 5611 1 14 . 1 1 28 28 ASN HA H 28 4.475 4.475 5.216 -0.741 18692 5612 1 14 . 1 1 28 28 ASN C C 28 179.421 179.421 174.004 5.417 18692 5613 1 14 . 1 1 28 28 ASN CA C 28 55.368 55.368 52.750 2.618 18692 5614 1 14 . 1 1 28 28 ASN CB C 28 38.967 38.967 40.170 -1.203 18692 5615 1 14 . 1 1 28 28 ASN H H 28 8.458 8.458 8.201 0.257 18692 5616 1 14 . 1 1 29 29 GLU N N 29 123.128 123.128 119.379 3.749 18692 5617 1 14 . 1 1 29 29 GLU HA H 29 4.291 4.291 4.555 -0.264 18692 5618 1 14 . 1 1 29 29 GLU C C 29 175.883 175.883 174.458 1.425 18692 5619 1 14 . 1 1 29 29 GLU CA C 29 56.876 56.876 54.824 2.052 18692 5620 1 14 . 1 1 29 29 GLU CB C 29 31.863 31.863 33.944 -2.081 18692 5621 1 14 . 1 1 29 29 GLU H H 29 8.294 8.294 7.631 0.663 18692 5622 1 14 . 1 1 30 30 VAL N N 30 123.635 123.635 120.792 2.843 18692 5623 1 14 . 1 1 30 30 VAL HA H 30 5.293 5.293 4.539 0.754 18692 5624 1 14 . 1 1 30 30 VAL C C 30 177.201 177.201 175.126 2.075 18692 5625 1 14 . 1 1 30 30 VAL CA C 30 60.562 60.562 61.625 -1.063 18692 5626 1 14 . 1 1 30 30 VAL CB C 30 33.419 33.419 34.073 -0.654 18692 5627 1 14 . 1 1 30 30 VAL H H 30 8.067 8.067 8.476 -0.409 18692 5628 1 14 . 1 1 31 31 ALA N N 31 127.391 127.391 129.720 -2.329 18692 5629 1 14 . 1 1 31 31 ALA HA H 31 4.919 4.919 4.981 -0.062 18692 5630 1 14 . 1 1 31 31 ALA C C 31 176.179 176.179 175.842 0.337 18692 5631 1 14 . 1 1 31 31 ALA CA C 31 51.470 51.470 50.364 1.106 18692 5632 1 14 . 1 1 31 31 ALA CB C 31 24.772 24.772 21.735 3.037 18692 5633 1 14 . 1 1 31 31 ALA H H 31 9.086 9.086 8.179 0.907 18692 5634 1 14 . 1 1 32 32 ILE N N 32 118.468 118.468 125.924 -7.456 18692 5635 1 14 . 1 1 32 32 ILE HA H 32 5.102 5.102 4.318 0.784 18692 5636 1 14 . 1 1 32 32 ILE C C 32 176.300 176.300 174.699 1.601 18692 5637 1 14 . 1 1 32 32 ILE CA C 32 59.604 59.604 60.707 -1.103 18692 5638 1 14 . 1 1 32 32 ILE CB C 32 41.416 41.416 39.147 2.269 18692 5639 1 14 . 1 1 32 32 ILE H H 32 8.175 8.175 8.052 0.123 18692 5640 1 14 . 1 1 33 33 PHE N N 33 123.926 123.926 128.003 -4.077 18692 5641 1 14 . 1 1 33 33 PHE HA H 33 5.407 5.407 5.599 -0.192 18692 5642 1 14 . 1 1 33 33 PHE C C 33 176.695 176.695 176.236 0.459 18692 5643 1 14 . 1 1 33 33 PHE CA C 33 56.627 56.627 55.073 1.554 18692 5644 1 14 . 1 1 33 33 PHE CB C 33 41.583 41.583 39.128 2.455 18692 5645 1 14 . 1 1 33 33 PHE H H 33 9.277 9.277 8.984 0.293 18692 5646 1 14 . 1 1 34 34 MET N N 34 120.519 120.519 124.224 -3.705 18692 5647 1 14 . 1 1 34 34 MET HA H 34 5.517 5.517 5.388 0.129 18692 5648 1 14 . 1 1 34 34 MET C C 34 177.123 177.123 175.397 1.726 18692 5649 1 14 . 1 1 34 34 MET CA C 34 53.515 53.515 56.313 -2.798 18692 5650 1 14 . 1 1 34 34 MET CB C 34 36.447 36.447 34.678 1.769 18692 5651 1 14 . 1 1 34 34 MET H H 34 8.606 8.606 8.498 0.108 18692 5652 1 14 . 1 1 35 35 PHE N N 35 118.119 118.119 118.238 -0.119 18692 5653 1 14 . 1 1 35 35 PHE HA H 35 4.642 4.642 5.145 -0.503 18692 5654 1 14 . 1 1 35 35 PHE C C 35 175.188 175.188 174.107 1.081 18692 5655 1 14 . 1 1 35 35 PHE CA C 35 56.100 56.100 56.014 0.086 18692 5656 1 14 . 1 1 35 35 PHE CB C 35 41.450 41.450 41.150 0.300 18692 5657 1 14 . 1 1 35 35 PHE H H 35 8.832 8.832 8.842 -0.010 18692 5658 1 14 . 1 1 36 36 GLU N N 36 120.598 120.598 123.536 -2.938 18692 5659 1 14 . 1 1 36 36 GLU HA H 36 4.890 4.890 4.302 0.588 18692 5660 1 14 . 1 1 36 36 GLU C C 36 179.258 179.258 175.431 3.827 18692 5661 1 14 . 1 1 36 36 GLU CA C 36 57.184 57.184 55.768 1.416 18692 5662 1 14 . 1 1 36 36 GLU CB C 36 30.844 30.844 30.004 0.840 18692 5663 1 14 . 1 1 36 36 GLU H H 36 9.421 9.421 8.813 0.608 18692 5664 1 14 . 1 1 37 37 VAL N N 37 122.817 122.817 119.457 3.360 18692 5665 1 14 . 1 1 37 37 VAL HA H 37 4.230 4.230 4.177 0.053 18692 5666 1 14 . 1 1 37 37 VAL C C 37 176.550 176.550 176.876 -0.326 18692 5667 1 14 . 1 1 37 37 VAL CA C 37 65.923 65.923 61.964 3.959 18692 5668 1 14 . 1 1 37 37 VAL H H 37 9.005 9.005 7.510 1.495 18692 5669 1 14 . 1 1 38 38 GLY N N 38 109.660 109.660 107.864 1.796 18692 5670 1 14 . 1 1 38 38 GLY C C 38 173.860 173.860 173.466 0.394 18692 5671 1 14 . 1 1 38 38 GLY CA C 38 44.560 44.560 44.667 -0.107 18692 5672 1 14 . 1 1 38 38 GLY H H 38 8.440 8.440 8.182 0.258 18692 5673 1 14 . 1 1 39 39 ASP N N 39 119.440 119.440 117.489 1.951 18692 5674 1 14 . 1 1 39 39 ASP HA H 39 4.910 4.910 4.071 0.839 18692 5675 1 14 . 1 1 39 39 ASP C C 39 177.550 177.550 175.873 1.677 18692 5676 1 14 . 1 1 39 39 ASP CA C 39 54.420 54.420 54.479 -0.059 18692 5677 1 14 . 1 1 39 39 ASP CB C 39 37.150 37.150 40.189 -3.039 18692 5678 1 14 . 1 1 39 39 ASP H H 39 8.330 8.330 7.877 0.453 18692 5679 1 14 . 1 1 40 40 PHE N N 40 123.361 123.361 114.900 8.461 18692 5680 1 14 . 1 1 40 40 PHE HA H 40 4.620 4.620 4.537 0.083 18692 5681 1 14 . 1 1 40 40 PHE CA C 40 56.250 56.250 58.162 -1.912 18692 5682 1 14 . 1 1 40 40 PHE CB C 40 36.150 36.150 39.296 -3.146 18692 5683 1 14 . 1 1 40 40 PHE H H 40 7.949 7.949 6.986 0.963 18692 5684 1 14 . 1 1 41 41 SER N N 41 121.483 121.483 116.043 5.440 18692 5685 1 14 . 1 1 41 41 SER HA H 41 4.492 4.492 4.238 0.254 18692 5686 1 14 . 1 1 41 41 SER C C 41 174.554 174.554 175.835 -1.281 18692 5687 1 14 . 1 1 41 41 SER CA C 41 59.660 59.660 60.083 -0.423 18692 5688 1 14 . 1 1 41 41 SER CB C 41 63.220 63.220 63.085 0.135 18692 5689 1 14 . 1 1 41 41 SER H H 41 8.519 8.519 8.237 0.282 18692 5690 1 14 . 1 1 42 42 ASN N N 42 118.920 118.920 119.151 -0.231 18692 5691 1 14 . 1 1 42 42 ASN HA H 42 4.910 4.910 4.709 0.201 18692 5692 1 14 . 1 1 42 42 ASN CA C 42 53.490 53.490 54.358 -0.868 18692 5693 1 14 . 1 1 42 42 ASN CB C 42 38.120 38.120 38.209 -0.089 18692 5694 1 14 . 1 1 42 42 ASN H H 42 8.330 8.330 8.275 0.055 18692 5695 1 14 . 1 1 43 43 ILE N N 43 121.540 121.540 121.334 0.206 18692 5696 1 14 . 1 1 43 43 ILE HA H 43 4.180 4.180 3.855 0.325 18692 5697 1 14 . 1 1 43 43 ILE CA C 43 60.110 60.110 66.350 -6.240 18692 5698 1 14 . 1 1 43 43 ILE CB C 43 38.440 38.440 35.078 3.362 18692 5699 1 14 . 1 1 43 43 ILE H H 43 8.293 8.293 7.182 1.111 18692 5700 1 14 . 1 1 44 44 PRO HA H 44 4.461 4.461 4.371 0.090 18692 5701 1 14 . 1 1 44 44 PRO C C 44 176.465 176.465 178.496 -2.031 18692 5702 1 14 . 1 1 44 44 PRO CA C 44 65.358 65.358 65.111 0.248 18692 5703 1 14 . 1 1 44 44 PRO CB C 44 30.441 30.441 31.128 -0.687 18692 5704 1 14 . 1 1 45 45 LYS N N 45 116.236 116.236 119.389 -3.153 18692 5705 1 14 . 1 1 45 45 LYS HA H 45 4.128 4.128 4.100 0.028 18692 5706 1 14 . 1 1 45 45 LYS C C 45 181.467 181.467 178.540 2.927 18692 5707 1 14 . 1 1 45 45 LYS CA C 45 59.712 59.712 59.010 0.703 18692 5708 1 14 . 1 1 45 45 LYS CB C 45 33.281 33.281 32.467 0.814 18692 5709 1 14 . 1 1 45 45 LYS H H 45 7.270 7.270 7.629 -0.359 18692 5710 1 14 . 1 1 46 46 SER N N 46 116.059 116.059 115.806 0.253 18692 5711 1 14 . 1 1 46 46 SER HA H 46 4.080 4.080 4.164 -0.084 18692 5712 1 14 . 1 1 46 46 SER C C 46 177.432 177.432 176.977 0.455 18692 5713 1 14 . 1 1 46 46 SER CA C 46 63.202 63.202 60.930 2.272 18692 5714 1 14 . 1 1 46 46 SER CB C 46 62.118 62.118 62.862 -0.744 18692 5715 1 14 . 1 1 46 46 SER H H 46 8.293 8.293 7.947 0.346 18692 5716 1 14 . 1 1 47 47 ALA N N 47 126.579 126.579 123.314 3.265 18692 5717 1 14 . 1 1 47 47 ALA HA H 47 4.128 4.128 3.987 0.141 18692 5718 1 14 . 1 1 47 47 ALA C C 47 181.528 181.528 178.168 3.360 18692 5719 1 14 . 1 1 47 47 ALA CA C 47 55.704 55.704 54.679 1.025 18692 5720 1 14 . 1 1 47 47 ALA CB C 47 18.326 18.326 18.107 0.219 18692 5721 1 14 . 1 1 47 47 ALA H H 47 6.990 6.990 7.728 -0.738 18692 5722 1 14 . 1 1 48 48 GLU N N 48 117.980 117.980 117.565 0.415 18692 5723 1 14 . 1 1 48 48 GLU HA H 48 4.062 4.062 3.160 0.902 18692 5724 1 14 . 1 1 48 48 GLU C C 48 180.822 180.822 177.898 2.924 18692 5725 1 14 . 1 1 48 48 GLU CA C 48 59.100 59.100 57.547 1.553 18692 5726 1 14 . 1 1 48 48 GLU CB C 48 29.770 29.770 29.191 0.579 18692 5727 1 14 . 1 1 48 48 GLU H H 48 7.863 7.863 7.449 0.414 18692 5728 1 14 . 1 1 49 49 PHE N N 49 122.179 122.179 118.550 3.629 18692 5729 1 14 . 1 1 49 49 PHE HA H 49 4.117 4.117 4.136 -0.019 18692 5730 1 14 . 1 1 49 49 PHE C C 49 179.580 179.580 176.906 2.674 18692 5731 1 14 . 1 1 49 49 PHE CA C 49 57.813 57.813 60.616 -2.803 18692 5732 1 14 . 1 1 49 49 PHE CB C 49 41.695 41.695 39.128 2.567 18692 5733 1 14 . 1 1 49 49 PHE H H 49 8.341 8.341 7.639 0.702 18692 5734 1 14 . 1 1 50 50 ILE N N 50 117.469 117.469 116.844 0.625 18692 5735 1 14 . 1 1 50 50 ILE HA H 50 3.533 3.533 3.998 -0.465 18692 5736 1 14 . 1 1 50 50 ILE C C 50 179.698 179.698 176.225 3.473 18692 5737 1 14 . 1 1 50 50 ILE CA C 50 62.884 62.884 62.233 0.651 18692 5738 1 14 . 1 1 50 50 ILE CB C 50 36.669 36.669 37.906 -1.237 18692 5739 1 14 . 1 1 50 50 ILE H H 50 8.322 8.322 7.236 1.086 18692 5740 1 14 . 1 1 51 51 GLN N N 51 117.190 117.190 118.523 -1.333 18692 5741 1 14 . 1 1 51 51 GLN HA H 51 4.261 4.261 4.517 -0.256 18692 5742 1 14 . 1 1 51 51 GLN C C 51 182.627 182.627 176.178 6.449 18692 5743 1 14 . 1 1 51 51 GLN CA C 51 58.862 58.862 54.761 4.101 18692 5744 1 14 . 1 1 51 51 GLN CB C 51 28.451 28.451 30.677 -2.226 18692 5745 1 14 . 1 1 51 51 GLN H H 51 7.887 7.887 7.593 0.294 18692 5746 1 14 . 1 1 52 52 SER N N 52 117.670 117.670 123.318 -5.648 18692 5747 1 14 . 1 1 52 52 SER HA H 52 4.137 4.137 4.248 -0.111 18692 5748 1 14 . 1 1 52 52 SER CA C 52 61.401 61.401 61.697 -0.296 18692 5749 1 14 . 1 1 52 52 SER CB C 52 62.615 62.615 63.361 -0.746 18692 5750 1 14 . 1 1 52 52 SER H H 52 8.556 8.556 8.986 -0.430 18692 5751 1 14 . 1 1 53 53 LYS N N 53 119.008 119.008 119.173 -0.165 18692 5752 1 14 . 1 1 53 53 LYS HA H 53 4.170 4.170 4.436 -0.266 18692 5753 1 14 . 1 1 53 53 LYS C C 53 177.911 177.911 175.688 2.223 18692 5754 1 14 . 1 1 53 53 LYS CA C 53 54.662 54.662 55.738 -1.076 18692 5755 1 14 . 1 1 53 53 LYS CB C 53 32.652 32.652 32.194 0.458 18692 5756 1 14 . 1 1 53 53 LYS H H 53 7.064 7.064 7.892 -0.828 18692 5757 1 14 . 1 1 54 54 GLY N N 54 105.188 105.188 106.052 -0.864 18692 5758 1 14 . 1 1 54 54 GLY C C 54 175.528 175.528 173.123 2.405 18692 5759 1 14 . 1 1 54 54 GLY CA C 54 45.118 45.118 45.430 -0.312 18692 5760 1 14 . 1 1 54 54 GLY H H 54 7.548 7.548 8.028 -0.480 18692 5761 1 14 . 1 1 55 55 HIS N N 55 118.294 118.294 119.214 -0.920 18692 5762 1 14 . 1 1 55 55 HIS HA H 55 4.947 4.947 5.041 -0.094 18692 5763 1 14 . 1 1 55 55 HIS C C 55 175.240 175.240 173.737 1.503 18692 5764 1 14 . 1 1 55 55 HIS CA C 55 54.847 54.847 53.658 1.188 18692 5765 1 14 . 1 1 55 55 HIS CB C 55 31.315 31.315 30.268 1.047 18692 5766 1 14 . 1 1 55 55 HIS H H 55 6.998 6.998 7.687 -0.689 18692 5767 1 14 . 1 1 56 56 GLU N N 56 118.205 118.205 125.297 -7.092 18692 5768 1 14 . 1 1 56 56 GLU HA H 56 4.666 4.666 4.468 0.198 18692 5769 1 14 . 1 1 56 56 GLU C C 56 176.766 176.766 174.824 1.942 18692 5770 1 14 . 1 1 56 56 GLU CA C 56 55.162 55.162 54.687 0.475 18692 5771 1 14 . 1 1 56 56 GLU CB C 56 33.110 33.110 32.097 1.013 18692 5772 1 14 . 1 1 56 56 GLU H H 56 8.509 8.509 8.147 0.362 18692 5773 1 14 . 1 1 57 57 LEU N N 57 127.769 127.769 127.357 0.412 18692 5774 1 14 . 1 1 57 57 LEU HA H 57 4.786 4.786 4.805 -0.019 18692 5775 1 14 . 1 1 57 57 LEU C C 57 177.854 177.854 177.516 0.338 18692 5776 1 14 . 1 1 57 57 LEU CA C 57 53.780 53.780 53.620 0.160 18692 5777 1 14 . 1 1 57 57 LEU CB C 57 42.676 42.676 40.332 2.344 18692 5778 1 14 . 1 1 57 57 LEU H H 57 8.978 8.978 8.838 0.140 18692 5779 1 14 . 1 1 58 58 LEU N N 58 128.364 128.364 124.941 3.423 18692 5780 1 14 . 1 1 58 58 LEU HA H 58 4.402 4.402 4.054 0.348 18692 5781 1 14 . 1 1 58 58 LEU C C 58 179.469 179.469 177.569 1.900 18692 5782 1 14 . 1 1 58 58 LEU CA C 58 56.534 56.534 57.575 -1.041 18692 5783 1 14 . 1 1 58 58 LEU CB C 58 42.371 42.371 42.725 -0.354 18692 5784 1 14 . 1 1 58 58 LEU H H 58 9.128 9.128 7.852 1.276 18692 5785 1 14 . 1 1 59 59 ASN N N 59 113.622 113.622 115.960 -2.338 18692 5786 1 14 . 1 1 59 59 ASN HA H 59 4.918 4.918 4.883 0.035 18692 5787 1 14 . 1 1 59 59 ASN C C 59 175.560 175.560 174.150 1.410 18692 5788 1 14 . 1 1 59 59 ASN CA C 59 52.389 52.389 52.253 0.136 18692 5789 1 14 . 1 1 59 59 ASN CB C 59 41.887 41.887 39.576 2.311 18692 5790 1 14 . 1 1 59 59 ASN H H 59 7.574 7.574 7.948 -0.374 18692 5791 1 14 . 1 1 60 60 SER N N 60 118.134 118.134 120.444 -2.310 18692 5792 1 14 . 1 1 60 60 SER HA H 60 4.045 4.045 4.313 -0.268 18692 5793 1 14 . 1 1 60 60 SER CA C 60 56.925 56.925 58.561 -1.636 18692 5794 1 14 . 1 1 60 60 SER CB C 60 63.649 63.649 63.947 -0.298 18692 5795 1 14 . 1 1 60 60 SER H H 60 8.436 8.436 8.564 -0.128 18692 5796 1 14 . 1 1 61 61 LEU N N 61 128.266 128.266 120.207 8.059 18692 5797 1 14 . 1 1 61 61 LEU HA H 61 4.219 4.219 4.530 -0.311 18692 5798 1 14 . 1 1 61 61 LEU CA C 61 55.106 55.106 55.696 -0.590 18692 5799 1 14 . 1 1 61 61 LEU CB C 61 44.577 44.577 42.530 2.047 18692 5800 1 14 . 1 1 61 61 LEU H H 61 8.725 8.725 8.276 0.449 18692 5801 1 14 . 1 1 62 62 ARG N N 62 122.383 122.383 125.172 -2.789 18692 5802 1 14 . 1 1 62 62 ARG HA H 62 4.312 4.312 4.286 0.026 18692 5803 1 14 . 1 1 62 62 ARG C C 62 176.560 176.560 176.107 0.453 18692 5804 1 14 . 1 1 62 62 ARG CA C 62 57.290 57.290 54.017 3.273 18692 5805 1 14 . 1 1 62 62 ARG CB C 62 30.828 30.828 27.485 3.343 18692 5806 1 14 . 1 1 62 62 ARG H H 62 7.303 7.303 9.107 -1.804 18692 5807 1 14 . 1 1 63 63 PHE N N 63 120.560 120.560 119.850 0.710 18692 5808 1 14 . 1 1 63 63 PHE HA H 63 4.613 4.613 4.197 0.416 18692 5809 1 14 . 1 1 63 63 PHE CA C 63 61.377 61.377 58.896 2.481 18692 5810 1 14 . 1 1 63 63 PHE CB C 63 39.908 39.908 37.883 2.025 18692 5811 1 14 . 1 1 63 63 PHE H H 63 8.321 8.321 7.988 0.333 18692 5812 1 14 . 1 1 64 64 ASN N N 64 117.616 117.616 116.880 0.736 18692 5813 1 14 . 1 1 64 64 ASN HA H 64 4.377 4.377 3.681 0.696 18692 5814 1 14 . 1 1 64 64 ASN C C 64 176.642 176.642 175.278 1.364 18692 5815 1 14 . 1 1 64 64 ASN CA C 64 53.465 53.465 54.778 -1.313 18692 5816 1 14 . 1 1 64 64 ASN CB C 64 37.450 37.450 37.884 -0.434 18692 5817 1 14 . 1 1 64 64 ASN H H 64 8.101 8.101 7.671 0.430 18692 5818 1 14 . 1 1 65 65 GLN N N 65 115.548 115.548 117.554 -2.006 18692 5819 1 14 . 1 1 65 65 GLN HA H 65 4.275 4.275 4.374 -0.099 18692 5820 1 14 . 1 1 65 65 GLN C C 65 178.411 178.411 174.785 3.626 18692 5821 1 14 . 1 1 65 65 GLN CA C 65 59.127 59.127 54.400 4.727 18692 5822 1 14 . 1 1 65 65 GLN CB C 65 28.650 28.650 30.609 -1.959 18692 5823 1 14 . 1 1 65 65 GLN H H 65 8.330 8.330 7.369 0.961 18692 5824 1 14 . 1 1 66 66 ALA N N 66 120.802 120.802 122.350 -1.548 18692 5825 1 14 . 1 1 66 66 ALA HA H 66 4.652 4.652 4.248 0.404 18692 5826 1 14 . 1 1 66 66 ALA C C 66 178.893 178.893 177.066 1.827 18692 5827 1 14 . 1 1 66 66 ALA CA C 66 52.751 52.751 52.306 0.445 18692 5828 1 14 . 1 1 66 66 ALA CB C 66 21.705 21.705 19.423 2.282 18692 5829 1 14 . 1 1 66 66 ALA H H 66 8.346 8.346 8.267 0.079 18692 5830 1 14 . 1 1 67 67 ASP N N 67 118.909 118.909 119.739 -0.830 18692 5831 1 14 . 1 1 67 67 ASP HA H 67 4.612 4.612 4.426 0.186 18692 5832 1 14 . 1 1 67 67 ASP C C 67 175.639 175.639 175.560 0.079 18692 5833 1 14 . 1 1 67 67 ASP CA C 67 54.726 54.726 54.830 -0.104 18692 5834 1 14 . 1 1 67 67 ASP CB C 67 45.152 45.152 39.369 5.783 18692 5835 1 14 . 1 1 67 67 ASP H H 67 8.117 8.117 8.461 -0.344 18692 5836 1 14 . 1 1 68 68 TRP HA H 68 4.477 4.477 4.790 -0.313 18692 5837 1 14 . 1 1 68 68 TRP CA C 68 56.253 56.253 55.843 0.410 18692 5838 1 14 . 1 1 68 68 TRP CB C 68 33.719 33.719 33.497 0.222 18692 5839 1 14 . 1 1 68 68 TRP H H 68 8.310 8.310 7.557 0.753 18692 5840 1 14 . 1 1 69 69 THR N N 69 114.495 114.495 112.286 2.209 18692 5841 1 14 . 1 1 69 69 THR HA H 69 5.605 5.605 4.789 0.816 18692 5842 1 14 . 1 1 69 69 THR C C 69 176.005 176.005 173.077 2.928 18692 5843 1 14 . 1 1 69 69 THR CA C 69 58.855 58.855 60.376 -1.521 18692 5844 1 14 . 1 1 69 69 THR CB C 69 72.755 72.755 70.580 2.175 18692 5845 1 14 . 1 1 69 69 THR H H 69 7.985 7.985 8.126 -0.141 18692 5846 1 14 . 1 1 70 70 ILE N N 70 114.448 114.448 127.748 -13.300 18692 5847 1 14 . 1 1 70 70 ILE HA H 70 5.384 5.384 4.648 0.736 18692 5848 1 14 . 1 1 70 70 ILE C C 70 175.751 175.751 173.837 1.914 18692 5849 1 14 . 1 1 70 70 ILE CA C 70 59.637 59.637 58.699 0.938 18692 5850 1 14 . 1 1 70 70 ILE CB C 70 41.689 41.689 41.467 0.223 18692 5851 1 14 . 1 1 70 70 ILE H H 70 8.807 8.807 8.182 0.625 18692 5852 1 14 . 1 1 71 71 VAL N N 71 124.084 124.084 129.858 -5.774 18692 5853 1 14 . 1 1 71 71 VAL HA H 71 5.012 5.012 4.299 0.713 18692 5854 1 14 . 1 1 71 71 VAL C C 71 177.625 177.625 174.904 2.721 18692 5855 1 14 . 1 1 71 71 VAL CA C 71 61.647 61.647 61.642 0.005 18692 5856 1 14 . 1 1 71 71 VAL CB C 71 32.482 32.482 32.053 0.429 18692 5857 1 14 . 1 1 71 71 VAL H H 71 8.500 8.500 8.749 -0.249 18692 5858 1 14 . 1 1 72 72 VAL N N 72 127.753 127.753 125.706 2.047 18692 5859 1 14 . 1 1 72 72 VAL HA H 72 5.147 5.147 4.623 0.524 18692 5860 1 14 . 1 1 72 72 VAL C C 72 175.444 175.444 174.898 0.546 18692 5861 1 14 . 1 1 72 72 VAL CA C 72 60.252 60.252 60.392 -0.140 18692 5862 1 14 . 1 1 72 72 VAL CB C 72 37.425 37.425 33.844 3.581 18692 5863 1 14 . 1 1 72 72 VAL H H 72 9.280 9.280 8.596 0.684 18692 5864 1 14 . 1 1 73 73 ARG N N 73 125.839 125.839 126.287 -0.448 18692 5865 1 14 . 1 1 73 73 ARG HA H 73 5.458 5.458 5.257 0.201 18692 5866 1 14 . 1 1 73 73 ARG C C 73 177.981 177.981 176.392 1.589 18692 5867 1 14 . 1 1 73 73 ARG CA C 73 53.788 53.788 53.891 -0.103 18692 5868 1 14 . 1 1 73 73 ARG CB C 73 33.855 33.855 31.126 2.729 18692 5869 1 14 . 1 1 73 73 ARG H H 73 9.194 9.194 8.704 0.490 18692 5870 1 14 . 1 1 74 74 LYS N N 74 129.522 129.522 126.149 3.373 18692 5871 1 14 . 1 1 74 74 LYS HA H 74 4.323 4.323 4.468 -0.145 18692 5872 1 14 . 1 1 74 74 LYS C C 74 178.340 178.340 176.646 1.694 18692 5873 1 14 . 1 1 74 74 LYS CA C 74 55.983 55.983 57.936 -1.953 18692 5874 1 14 . 1 1 74 74 LYS CB C 74 33.103 33.103 33.441 -0.338 18692 5875 1 14 . 1 1 74 74 LYS H H 74 10.930 10.930 8.150 2.780 18692 5876 1 14 . 1 1 75 75 LYS N N 75 131.817 131.817 118.665 13.152 18692 5877 1 14 . 1 1 75 75 LYS HA H 75 4.489 4.489 4.690 -0.201 18692 5878 1 14 . 1 1 75 75 LYS CA C 75 55.927 55.927 55.573 0.354 18692 5879 1 14 . 1 1 75 75 LYS CB C 75 29.730 29.730 36.167 -6.437 18692 5880 1 14 . 1 1 75 75 LYS H H 75 10.873 10.873 7.927 2.946 18692 5881 1 15 . 1 1 2 2 LYS N N 2 127.399 127.399 119.982 7.417 18692 5882 1 15 . 1 1 2 2 LYS HA H 2 3.954 3.954 4.716 -0.762 18692 5883 1 15 . 1 1 2 2 LYS C C 2 175.826 175.826 174.567 1.259 18692 5884 1 15 . 1 1 2 2 LYS CA C 2 57.475 57.475 55.722 1.753 18692 5885 1 15 . 1 1 2 2 LYS CB C 2 34.009 34.009 33.089 0.920 18692 5886 1 15 . 1 1 2 2 LYS H H 2 9.167 9.167 8.239 0.928 18692 5887 1 15 . 1 1 3 3 ARG N N 3 121.207 121.207 119.020 2.187 18692 5888 1 15 . 1 1 3 3 ARG HA H 3 4.797 4.797 4.811 -0.014 18692 5889 1 15 . 1 1 3 3 ARG C C 3 176.719 176.719 174.488 2.231 18692 5890 1 15 . 1 1 3 3 ARG CA C 3 54.082 54.082 55.259 -1.177 18692 5891 1 15 . 1 1 3 3 ARG CB C 3 32.816 32.816 32.945 -0.129 18692 5892 1 15 . 1 1 3 3 ARG H H 3 7.705 7.705 7.820 -0.115 18692 5893 1 15 . 1 1 4 4 PHE N N 4 124.380 124.380 120.566 3.814 18692 5894 1 15 . 1 1 4 4 PHE HA H 4 4.729 4.729 4.825 -0.096 18692 5895 1 15 . 1 1 4 4 PHE C C 4 176.180 176.180 173.945 2.235 18692 5896 1 15 . 1 1 4 4 PHE CA C 4 56.584 56.584 57.354 -0.770 18692 5897 1 15 . 1 1 4 4 PHE CB C 4 41.758 41.758 43.138 -1.380 18692 5898 1 15 . 1 1 4 4 PHE H H 4 8.913 8.913 9.492 -0.579 18692 5899 1 15 . 1 1 5 5 ASP N N 5 123.331 123.331 128.001 -4.670 18692 5900 1 15 . 1 1 5 5 ASP HA H 5 4.390 4.390 4.950 -0.560 18692 5901 1 15 . 1 1 5 5 ASP C C 5 177.524 177.524 175.095 2.429 18692 5902 1 15 . 1 1 5 5 ASP CA C 5 53.344 53.344 54.490 -1.147 18692 5903 1 15 . 1 1 5 5 ASP CB C 5 41.043 41.043 41.868 -0.825 18692 5904 1 15 . 1 1 5 5 ASP H H 5 9.113 9.113 8.544 0.569 18692 5905 1 15 . 1 1 6 6 LEU N N 6 122.540 122.540 125.713 -3.173 18692 5906 1 15 . 1 1 6 6 LEU HA H 6 4.304 4.304 4.519 -0.215 18692 5907 1 15 . 1 1 6 6 LEU CA C 6 55.260 55.260 53.830 1.430 18692 5908 1 15 . 1 1 6 6 LEU CB C 6 42.680 42.680 41.935 0.745 18692 5909 1 15 . 1 1 6 6 LEU H H 6 8.305 8.305 8.672 -0.367 18692 5910 1 15 . 1 1 7 7 ARG N N 7 121.715 121.715 122.144 -0.429 18692 5911 1 15 . 1 1 7 7 ARG HA H 7 4.156 4.156 4.107 0.049 18692 5912 1 15 . 1 1 7 7 ARG C C 7 177.664 177.664 175.902 1.762 18692 5913 1 15 . 1 1 7 7 ARG CA C 7 56.463 56.463 59.756 -3.293 18692 5914 1 15 . 1 1 7 7 ARG CB C 7 29.315 29.315 28.647 0.668 18692 5915 1 15 . 1 1 7 7 ARG H H 7 8.293 8.293 8.414 -0.121 18692 5916 1 15 . 1 1 8 8 PRO HA H 8 4.365 4.365 4.342 0.023 18692 5917 1 15 . 1 1 8 8 PRO C C 8 178.886 178.886 176.261 2.625 18692 5918 1 15 . 1 1 8 8 PRO CA C 8 65.193 65.193 63.403 1.790 18692 5919 1 15 . 1 1 8 8 PRO CB C 8 31.566 31.566 31.605 -0.039 18692 5920 1 15 . 1 1 9 9 LEU N N 9 114.107 114.107 121.463 -7.356 18692 5921 1 15 . 1 1 9 9 LEU HA H 9 4.175 4.175 4.277 -0.102 18692 5922 1 15 . 1 1 9 9 LEU C C 9 178.897 178.897 176.481 2.416 18692 5923 1 15 . 1 1 9 9 LEU CA C 9 54.878 54.878 54.466 0.412 18692 5924 1 15 . 1 1 9 9 LEU CB C 9 41.222 41.222 42.894 -1.672 18692 5925 1 15 . 1 1 9 9 LEU H H 9 7.310 7.310 7.117 0.193 18692 5926 1 15 . 1 1 10 10 LYS N N 10 116.563 116.563 124.399 -7.836 18692 5927 1 15 . 1 1 10 10 LYS HA H 10 3.823 3.823 4.111 -0.288 18692 5928 1 15 . 1 1 10 10 LYS C C 10 178.805 178.805 175.891 2.914 18692 5929 1 15 . 1 1 10 10 LYS CA C 10 57.693 57.693 56.040 1.653 18692 5930 1 15 . 1 1 10 10 LYS CB C 10 34.124 34.124 33.185 0.939 18692 5931 1 15 . 1 1 10 10 LYS H H 10 8.132 8.132 8.239 -0.107 18692 5932 1 15 . 1 1 11 11 ALA N N 11 124.134 124.134 122.453 1.681 18692 5933 1 15 . 1 1 11 11 ALA HA H 11 4.399 4.399 3.826 0.573 18692 5934 1 15 . 1 1 11 11 ALA C C 11 178.877 178.877 178.576 0.301 18692 5935 1 15 . 1 1 11 11 ALA CA C 11 53.292 53.292 53.266 0.026 18692 5936 1 15 . 1 1 11 11 ALA CB C 11 19.310 19.310 18.350 0.960 18692 5937 1 15 . 1 1 11 11 ALA H H 11 8.239 8.239 8.151 0.088 18692 5938 1 15 . 1 1 12 12 GLY N N 12 108.661 108.661 110.679 -2.018 18692 5939 1 15 . 1 1 12 12 GLY C C 12 178.614 178.614 175.370 3.244 18692 5940 1 15 . 1 1 12 12 GLY CA C 12 47.640 47.640 45.638 2.002 18692 5941 1 15 . 1 1 12 12 GLY H H 12 8.186 8.186 8.947 -0.761 18692 5942 1 15 . 1 1 13 13 ILE N N 13 123.465 123.465 123.915 -0.450 18692 5943 1 15 . 1 1 13 13 ILE HA H 13 4.150 4.150 4.272 -0.122 18692 5944 1 15 . 1 1 13 13 ILE C C 13 177.234 177.234 176.689 0.545 18692 5945 1 15 . 1 1 13 13 ILE CA C 13 60.500 60.500 62.669 -2.169 18692 5946 1 15 . 1 1 13 13 ILE CB C 13 36.970 36.970 38.560 -1.590 18692 5947 1 15 . 1 1 13 13 ILE H H 13 8.309 8.309 7.382 0.927 18692 5948 1 15 . 1 1 14 14 PHE N N 14 119.560 119.560 120.072 -0.512 18692 5949 1 15 . 1 1 14 14 PHE HA H 14 3.354 3.354 4.135 -0.781 18692 5950 1 15 . 1 1 14 14 PHE C C 14 179.301 179.301 176.681 2.620 18692 5951 1 15 . 1 1 14 14 PHE CA C 14 63.883 63.883 60.922 2.961 18692 5952 1 15 . 1 1 14 14 PHE CB C 14 37.608 37.608 37.873 -0.265 18692 5953 1 15 . 1 1 14 14 PHE H H 14 7.801 7.801 7.991 -0.190 18692 5954 1 15 . 1 1 15 15 GLU N N 15 121.567 121.567 119.185 2.382 18692 5955 1 15 . 1 1 15 15 GLU HA H 15 4.260 4.260 3.452 0.808 18692 5956 1 15 . 1 1 15 15 GLU C C 15 181.428 181.428 177.052 4.376 18692 5957 1 15 . 1 1 15 15 GLU CA C 15 60.579 60.579 57.505 3.075 18692 5958 1 15 . 1 1 15 15 GLU CB C 15 28.158 28.158 28.766 -0.608 18692 5959 1 15 . 1 1 15 15 GLU H H 15 8.331 8.331 8.269 0.062 18692 5960 1 15 . 1 1 16 16 ARG N N 16 121.602 121.602 119.104 2.498 18692 5961 1 15 . 1 1 16 16 ARG HA H 16 4.104 4.104 3.780 0.324 18692 5962 1 15 . 1 1 16 16 ARG C C 16 179.418 179.418 178.430 0.988 18692 5963 1 15 . 1 1 16 16 ARG CA C 16 56.877 56.877 58.382 -1.505 18692 5964 1 15 . 1 1 16 16 ARG CB C 16 29.397 29.397 30.238 -0.841 18692 5965 1 15 . 1 1 16 16 ARG H H 16 8.240 8.240 7.849 0.391 18692 5966 1 15 . 1 1 17 17 LEU N N 17 119.769 119.769 119.876 -0.107 18692 5967 1 15 . 1 1 17 17 LEU HA H 17 3.619 3.619 4.174 -0.555 18692 5968 1 15 . 1 1 17 17 LEU C C 17 179.136 179.136 177.973 1.163 18692 5969 1 15 . 1 1 17 17 LEU CA C 17 59.104 59.104 56.178 2.926 18692 5970 1 15 . 1 1 17 17 LEU CB C 17 42.770 42.770 41.529 1.241 18692 5971 1 15 . 1 1 17 17 LEU H H 17 8.134 8.134 7.982 0.152 18692 5972 1 15 . 1 1 18 18 GLU N N 18 115.547 115.547 118.333 -2.786 18692 5973 1 15 . 1 1 18 18 GLU HA H 18 3.889 3.889 3.410 0.478 18692 5974 1 15 . 1 1 18 18 GLU C C 18 179.643 179.643 178.154 1.489 18692 5975 1 15 . 1 1 18 18 GLU CA C 18 59.929 59.929 59.561 0.368 18692 5976 1 15 . 1 1 18 18 GLU CB C 18 29.170 29.170 28.879 0.291 18692 5977 1 15 . 1 1 18 18 GLU H H 18 7.674 7.674 7.635 0.039 18692 5978 1 15 . 1 1 19 19 GLU N N 19 119.211 119.211 119.133 0.078 18692 5979 1 15 . 1 1 19 19 GLU HA H 19 4.047 4.047 4.048 -0.001 18692 5980 1 15 . 1 1 19 19 GLU C C 19 180.374 180.374 178.013 2.361 18692 5981 1 15 . 1 1 19 19 GLU CA C 19 59.441 59.441 58.527 0.914 18692 5982 1 15 . 1 1 19 19 GLU CB C 19 30.269 30.269 29.469 0.800 18692 5983 1 15 . 1 1 19 19 GLU H H 19 7.782 7.782 7.388 0.394 18692 5984 1 15 . 1 1 20 20 LEU N N 20 119.264 119.264 119.856 -0.592 18692 5985 1 15 . 1 1 20 20 LEU HA H 20 3.761 3.761 3.967 -0.206 18692 5986 1 15 . 1 1 20 20 LEU C C 20 181.666 181.666 178.613 3.053 18692 5987 1 15 . 1 1 20 20 LEU CA C 20 57.862 57.862 57.751 0.111 18692 5988 1 15 . 1 1 20 20 LEU CB C 20 42.111 42.111 41.950 0.161 18692 5989 1 15 . 1 1 20 20 LEU H H 20 8.507 8.507 7.255 1.252 18692 5990 1 15 . 1 1 21 21 ILE N N 21 117.879 117.879 117.128 0.751 18692 5991 1 15 . 1 1 21 21 ILE HA H 21 3.697 3.697 3.921 -0.224 18692 5992 1 15 . 1 1 21 21 ILE C C 21 181.696 181.696 177.480 4.216 18692 5993 1 15 . 1 1 21 21 ILE CA C 21 65.174 65.174 61.694 3.480 18692 5994 1 15 . 1 1 21 21 ILE CB C 21 38.420 38.420 38.031 0.390 18692 5995 1 15 . 1 1 21 21 ILE H H 21 7.750 7.750 7.081 0.669 18692 5996 1 15 . 1 1 22 22 GLU N N 22 116.656 116.656 120.748 -4.092 18692 5997 1 15 . 1 1 22 22 GLU HA H 22 3.891 3.891 3.998 -0.107 18692 5998 1 15 . 1 1 22 22 GLU C C 22 180.424 180.424 178.600 1.824 18692 5999 1 15 . 1 1 22 22 GLU CA C 22 59.864 59.864 59.486 0.378 18692 6000 1 15 . 1 1 22 22 GLU CB C 22 30.047 30.047 29.256 0.791 18692 6001 1 15 . 1 1 22 22 GLU H H 22 8.203 8.203 7.609 0.594 18692 6002 1 15 . 1 1 23 23 LYS N N 23 113.426 113.426 116.889 -3.463 18692 6003 1 15 . 1 1 23 23 LYS HA H 23 4.392 4.392 4.160 0.232 18692 6004 1 15 . 1 1 23 23 LYS C C 23 180.639 180.639 177.686 2.953 18692 6005 1 15 . 1 1 23 23 LYS CA C 23 57.952 57.952 58.559 -0.607 18692 6006 1 15 . 1 1 23 23 LYS CB C 23 34.655 34.655 32.592 2.063 18692 6007 1 15 . 1 1 23 23 LYS H H 23 8.713 8.713 7.499 1.214 18692 6008 1 15 . 1 1 24 24 GLU N N 24 115.943 115.943 116.671 -0.728 18692 6009 1 15 . 1 1 24 24 GLU HA H 24 4.730 4.730 4.250 0.480 18692 6010 1 15 . 1 1 24 24 GLU C C 24 177.407 177.407 176.470 0.937 18692 6011 1 15 . 1 1 24 24 GLU CA C 24 56.241 56.241 56.674 -0.433 18692 6012 1 15 . 1 1 24 24 GLU CB C 24 30.664 30.664 30.384 0.279 18692 6013 1 15 . 1 1 24 24 GLU H H 24 8.225 8.225 7.661 0.564 18692 6014 1 15 . 1 1 25 25 MET N N 25 115.075 115.075 117.407 -2.332 18692 6015 1 15 . 1 1 25 25 MET HA H 25 4.832 4.832 4.570 0.262 18692 6016 1 15 . 1 1 25 25 MET C C 25 177.286 177.286 175.718 1.568 18692 6017 1 15 . 1 1 25 25 MET CA C 25 55.022 55.022 54.604 0.418 18692 6018 1 15 . 1 1 25 25 MET CB C 25 37.416 37.416 33.431 3.985 18692 6019 1 15 . 1 1 25 25 MET H H 25 6.860 6.860 7.070 -0.210 18692 6020 1 15 . 1 1 26 26 GLN N N 26 122.801 122.801 120.201 2.600 18692 6021 1 15 . 1 1 26 26 GLN HA H 26 4.345 4.345 4.455 -0.110 18692 6022 1 15 . 1 1 26 26 GLN C C 26 175.718 175.718 175.902 -0.184 18692 6023 1 15 . 1 1 26 26 GLN CA C 26 52.909 52.909 55.841 -2.932 18692 6024 1 15 . 1 1 26 26 GLN CB C 26 28.417 28.417 29.067 -0.650 18692 6025 1 15 . 1 1 26 26 GLN H H 26 9.264 9.264 8.397 0.867 18692 6026 1 15 . 1 1 27 27 PRO HA H 27 3.915 3.915 4.342 -0.427 18692 6027 1 15 . 1 1 27 27 PRO C C 27 177.450 177.450 175.970 1.480 18692 6028 1 15 . 1 1 27 27 PRO CA C 27 64.908 64.908 64.504 0.403 18692 6029 1 15 . 1 1 27 27 PRO CB C 27 31.265 31.265 32.139 -0.874 18692 6030 1 15 . 1 1 28 28 ASN N N 28 118.995 118.995 114.144 4.851 18692 6031 1 15 . 1 1 28 28 ASN HA H 28 4.475 4.475 5.301 -0.826 18692 6032 1 15 . 1 1 28 28 ASN C C 28 179.421 179.421 173.903 5.518 18692 6033 1 15 . 1 1 28 28 ASN CA C 28 55.368 55.368 52.519 2.849 18692 6034 1 15 . 1 1 28 28 ASN CB C 28 38.967 38.967 39.722 -0.755 18692 6035 1 15 . 1 1 28 28 ASN H H 28 8.458 8.458 8.266 0.192 18692 6036 1 15 . 1 1 29 29 GLU N N 29 123.128 123.128 119.134 3.994 18692 6037 1 15 . 1 1 29 29 GLU HA H 29 4.291 4.291 4.516 -0.225 18692 6038 1 15 . 1 1 29 29 GLU C C 29 175.883 175.883 174.273 1.610 18692 6039 1 15 . 1 1 29 29 GLU CA C 29 56.876 56.876 54.782 2.094 18692 6040 1 15 . 1 1 29 29 GLU CB C 29 31.863 31.863 33.730 -1.867 18692 6041 1 15 . 1 1 29 29 GLU H H 29 8.294 8.294 7.614 0.680 18692 6042 1 15 . 1 1 30 30 VAL N N 30 123.635 123.635 120.989 2.646 18692 6043 1 15 . 1 1 30 30 VAL HA H 30 5.293 5.293 4.694 0.599 18692 6044 1 15 . 1 1 30 30 VAL C C 30 177.201 177.201 174.907 2.294 18692 6045 1 15 . 1 1 30 30 VAL CA C 30 60.562 60.562 60.711 -0.149 18692 6046 1 15 . 1 1 30 30 VAL CB C 30 33.419 33.419 33.962 -0.543 18692 6047 1 15 . 1 1 30 30 VAL H H 30 8.067 8.067 8.411 -0.344 18692 6048 1 15 . 1 1 31 31 ALA N N 31 127.391 127.391 130.719 -3.328 18692 6049 1 15 . 1 1 31 31 ALA HA H 31 4.919 4.919 4.931 -0.012 18692 6050 1 15 . 1 1 31 31 ALA C C 31 176.179 176.179 176.171 0.008 18692 6051 1 15 . 1 1 31 31 ALA CA C 31 51.470 51.470 49.902 1.568 18692 6052 1 15 . 1 1 31 31 ALA CB C 31 24.772 24.772 21.242 3.530 18692 6053 1 15 . 1 1 31 31 ALA H H 31 9.086 9.086 8.418 0.668 18692 6054 1 15 . 1 1 32 32 ILE N N 32 118.468 118.468 126.081 -7.613 18692 6055 1 15 . 1 1 32 32 ILE HA H 32 5.102 5.102 4.547 0.555 18692 6056 1 15 . 1 1 32 32 ILE C C 32 176.300 176.300 174.850 1.450 18692 6057 1 15 . 1 1 32 32 ILE CA C 32 59.604 59.604 61.074 -1.470 18692 6058 1 15 . 1 1 32 32 ILE CB C 32 41.416 41.416 38.454 2.962 18692 6059 1 15 . 1 1 32 32 ILE H H 32 8.175 8.175 8.121 0.054 18692 6060 1 15 . 1 1 33 33 PHE N N 33 123.926 123.926 127.778 -3.852 18692 6061 1 15 . 1 1 33 33 PHE HA H 33 5.407 5.407 5.569 -0.162 18692 6062 1 15 . 1 1 33 33 PHE C C 33 176.695 176.695 175.591 1.104 18692 6063 1 15 . 1 1 33 33 PHE CA C 33 56.627 56.627 55.105 1.522 18692 6064 1 15 . 1 1 33 33 PHE CB C 33 41.583 41.583 40.503 1.080 18692 6065 1 15 . 1 1 33 33 PHE H H 33 9.277 9.277 8.952 0.325 18692 6066 1 15 . 1 1 34 34 MET N N 34 120.519 120.519 124.087 -3.568 18692 6067 1 15 . 1 1 34 34 MET HA H 34 5.517 5.517 5.543 -0.026 18692 6068 1 15 . 1 1 34 34 MET C C 34 177.123 177.123 174.948 2.175 18692 6069 1 15 . 1 1 34 34 MET CA C 34 53.515 53.515 54.739 -1.224 18692 6070 1 15 . 1 1 34 34 MET CB C 34 36.447 36.447 35.213 1.234 18692 6071 1 15 . 1 1 34 34 MET H H 34 8.606 8.606 9.405 -0.799 18692 6072 1 15 . 1 1 35 35 PHE N N 35 118.119 118.119 121.678 -3.559 18692 6073 1 15 . 1 1 35 35 PHE HA H 35 4.642 4.642 5.248 -0.606 18692 6074 1 15 . 1 1 35 35 PHE C C 35 175.188 175.188 174.288 0.900 18692 6075 1 15 . 1 1 35 35 PHE CA C 35 56.100 56.100 55.349 0.751 18692 6076 1 15 . 1 1 35 35 PHE CB C 35 41.450 41.450 41.200 0.250 18692 6077 1 15 . 1 1 35 35 PHE H H 35 8.832 8.832 8.552 0.280 18692 6078 1 15 . 1 1 36 36 GLU N N 36 120.598 120.598 124.562 -3.964 18692 6079 1 15 . 1 1 36 36 GLU HA H 36 4.890 4.890 4.256 0.634 18692 6080 1 15 . 1 1 36 36 GLU C C 36 179.258 179.258 176.096 3.162 18692 6081 1 15 . 1 1 36 36 GLU CA C 36 57.184 57.184 56.910 0.274 18692 6082 1 15 . 1 1 36 36 GLU CB C 36 30.844 30.844 29.765 1.079 18692 6083 1 15 . 1 1 36 36 GLU H H 36 9.421 9.421 8.821 0.600 18692 6084 1 15 . 1 1 37 37 VAL N N 37 122.817 122.817 119.529 3.288 18692 6085 1 15 . 1 1 37 37 VAL HA H 37 4.230 4.230 4.172 0.058 18692 6086 1 15 . 1 1 37 37 VAL C C 37 176.550 176.550 177.227 -0.677 18692 6087 1 15 . 1 1 37 37 VAL CA C 37 65.923 65.923 62.936 2.987 18692 6088 1 15 . 1 1 37 37 VAL H H 37 9.005 9.005 7.678 1.327 18692 6089 1 15 . 1 1 38 38 GLY N N 38 109.660 109.660 108.892 0.768 18692 6090 1 15 . 1 1 38 38 GLY C C 38 173.860 173.860 174.299 -0.439 18692 6091 1 15 . 1 1 38 38 GLY CA C 38 44.560 44.560 44.998 -0.438 18692 6092 1 15 . 1 1 38 38 GLY H H 38 8.440 8.440 8.766 -0.326 18692 6093 1 15 . 1 1 39 39 ASP N N 39 119.440 119.440 121.553 -2.113 18692 6094 1 15 . 1 1 39 39 ASP HA H 39 4.910 4.910 4.599 0.311 18692 6095 1 15 . 1 1 39 39 ASP C C 39 177.550 177.550 176.066 1.484 18692 6096 1 15 . 1 1 39 39 ASP CA C 39 54.420 54.420 53.915 0.505 18692 6097 1 15 . 1 1 39 39 ASP CB C 39 37.150 37.150 39.254 -2.104 18692 6098 1 15 . 1 1 39 39 ASP H H 39 8.330 8.330 7.813 0.517 18692 6099 1 15 . 1 1 40 40 PHE N N 40 123.361 123.361 121.478 1.883 18692 6100 1 15 . 1 1 40 40 PHE HA H 40 4.620 4.620 4.286 0.334 18692 6101 1 15 . 1 1 40 40 PHE CA C 40 56.250 56.250 58.898 -2.648 18692 6102 1 15 . 1 1 40 40 PHE CB C 40 36.150 36.150 38.968 -2.818 18692 6103 1 15 . 1 1 40 40 PHE H H 40 7.949 7.949 7.616 0.333 18692 6104 1 15 . 1 1 41 41 SER N N 41 121.483 121.483 115.677 5.806 18692 6105 1 15 . 1 1 41 41 SER HA H 41 4.492 4.492 3.827 0.665 18692 6106 1 15 . 1 1 41 41 SER C C 41 174.554 174.554 175.795 -1.241 18692 6107 1 15 . 1 1 41 41 SER CA C 41 59.660 59.660 59.860 -0.200 18692 6108 1 15 . 1 1 41 41 SER CB C 41 63.220 63.220 62.404 0.816 18692 6109 1 15 . 1 1 41 41 SER H H 41 8.519 8.519 7.747 0.772 18692 6110 1 15 . 1 1 42 42 ASN N N 42 118.920 118.920 119.374 -0.454 18692 6111 1 15 . 1 1 42 42 ASN HA H 42 4.910 4.910 4.614 0.296 18692 6112 1 15 . 1 1 42 42 ASN CA C 42 53.490 53.490 55.127 -1.637 18692 6113 1 15 . 1 1 42 42 ASN CB C 42 38.120 38.120 38.501 -0.381 18692 6114 1 15 . 1 1 42 42 ASN H H 42 8.330 8.330 8.209 0.121 18692 6115 1 15 . 1 1 43 43 ILE N N 43 121.540 121.540 120.948 0.592 18692 6116 1 15 . 1 1 43 43 ILE HA H 43 4.180 4.180 3.854 0.326 18692 6117 1 15 . 1 1 43 43 ILE CA C 43 60.110 60.110 66.125 -6.015 18692 6118 1 15 . 1 1 43 43 ILE CB C 43 38.440 38.440 35.093 3.347 18692 6119 1 15 . 1 1 43 43 ILE H H 43 8.293 8.293 7.064 1.229 18692 6120 1 15 . 1 1 44 44 PRO HA H 44 4.461 4.461 4.393 0.068 18692 6121 1 15 . 1 1 44 44 PRO C C 44 176.465 176.465 178.669 -2.204 18692 6122 1 15 . 1 1 44 44 PRO CA C 44 65.358 65.358 65.247 0.111 18692 6123 1 15 . 1 1 44 44 PRO CB C 44 30.441 30.441 31.066 -0.625 18692 6124 1 15 . 1 1 45 45 LYS N N 45 116.236 116.236 119.014 -2.778 18692 6125 1 15 . 1 1 45 45 LYS HA H 45 4.128 4.128 4.053 0.075 18692 6126 1 15 . 1 1 45 45 LYS C C 45 181.467 181.467 178.564 2.903 18692 6127 1 15 . 1 1 45 45 LYS CA C 45 59.712 59.712 59.339 0.373 18692 6128 1 15 . 1 1 45 45 LYS CB C 45 33.281 33.281 32.137 1.144 18692 6129 1 15 . 1 1 45 45 LYS H H 45 7.270 7.270 7.650 -0.380 18692 6130 1 15 . 1 1 46 46 SER N N 46 116.059 116.059 115.541 0.518 18692 6131 1 15 . 1 1 46 46 SER HA H 46 4.080 4.080 4.503 -0.423 18692 6132 1 15 . 1 1 46 46 SER C C 46 177.432 177.432 176.906 0.526 18692 6133 1 15 . 1 1 46 46 SER CA C 46 63.202 63.202 60.682 2.520 18692 6134 1 15 . 1 1 46 46 SER CB C 46 62.118 62.118 62.972 -0.855 18692 6135 1 15 . 1 1 46 46 SER H H 46 8.293 8.293 7.606 0.687 18692 6136 1 15 . 1 1 47 47 ALA N N 47 126.579 126.579 124.443 2.136 18692 6137 1 15 . 1 1 47 47 ALA HA H 47 4.128 4.128 4.358 -0.230 18692 6138 1 15 . 1 1 47 47 ALA C C 47 181.528 181.528 178.285 3.243 18692 6139 1 15 . 1 1 47 47 ALA CA C 47 55.704 55.704 54.459 1.245 18692 6140 1 15 . 1 1 47 47 ALA CB C 47 18.326 18.326 18.244 0.082 18692 6141 1 15 . 1 1 47 47 ALA H H 47 6.990 6.990 7.748 -0.758 18692 6142 1 15 . 1 1 48 48 GLU N N 48 117.980 117.980 117.767 0.213 18692 6143 1 15 . 1 1 48 48 GLU HA H 48 4.062 4.062 2.940 1.122 18692 6144 1 15 . 1 1 48 48 GLU C C 48 180.822 180.822 177.364 3.458 18692 6145 1 15 . 1 1 48 48 GLU CA C 48 59.100 59.100 57.532 1.568 18692 6146 1 15 . 1 1 48 48 GLU CB C 48 29.770 29.770 29.352 0.418 18692 6147 1 15 . 1 1 48 48 GLU H H 48 7.863 7.863 7.384 0.479 18692 6148 1 15 . 1 1 49 49 PHE N N 49 122.179 122.179 117.209 4.970 18692 6149 1 15 . 1 1 49 49 PHE HA H 49 4.117 4.117 4.166 -0.049 18692 6150 1 15 . 1 1 49 49 PHE C C 49 179.580 179.580 176.860 2.720 18692 6151 1 15 . 1 1 49 49 PHE CA C 49 57.813 57.813 60.388 -2.575 18692 6152 1 15 . 1 1 49 49 PHE CB C 49 41.695 41.695 39.118 2.577 18692 6153 1 15 . 1 1 49 49 PHE H H 49 8.341 8.341 7.711 0.630 18692 6154 1 15 . 1 1 50 50 ILE N N 50 117.469 117.469 116.290 1.179 18692 6155 1 15 . 1 1 50 50 ILE HA H 50 3.533 3.533 3.915 -0.382 18692 6156 1 15 . 1 1 50 50 ILE C C 50 179.698 179.698 176.451 3.247 18692 6157 1 15 . 1 1 50 50 ILE CA C 50 62.884 62.884 62.696 0.188 18692 6158 1 15 . 1 1 50 50 ILE CB C 50 36.669 36.669 38.058 -1.389 18692 6159 1 15 . 1 1 50 50 ILE H H 50 8.322 8.322 7.278 1.044 18692 6160 1 15 . 1 1 51 51 GLN N N 51 117.190 117.190 117.529 -0.339 18692 6161 1 15 . 1 1 51 51 GLN HA H 51 4.261 4.261 4.458 -0.197 18692 6162 1 15 . 1 1 51 51 GLN C C 51 182.627 182.627 175.221 7.406 18692 6163 1 15 . 1 1 51 51 GLN CA C 51 58.862 58.862 54.793 4.069 18692 6164 1 15 . 1 1 51 51 GLN CB C 51 28.451 28.451 32.004 -3.553 18692 6165 1 15 . 1 1 51 51 GLN H H 51 7.887 7.887 7.597 0.290 18692 6166 1 15 . 1 1 52 52 SER N N 52 117.670 117.670 118.637 -0.967 18692 6167 1 15 . 1 1 52 52 SER HA H 52 4.137 4.137 4.211 -0.074 18692 6168 1 15 . 1 1 52 52 SER CA C 52 61.401 61.401 60.665 0.736 18692 6169 1 15 . 1 1 52 52 SER CB C 52 62.615 62.615 63.307 -0.692 18692 6170 1 15 . 1 1 52 52 SER H H 52 8.556 8.556 8.755 -0.199 18692 6171 1 15 . 1 1 53 53 LYS N N 53 119.008 119.008 118.509 0.499 18692 6172 1 15 . 1 1 53 53 LYS HA H 53 4.170 4.170 4.454 -0.284 18692 6173 1 15 . 1 1 53 53 LYS C C 53 177.911 177.911 175.193 2.718 18692 6174 1 15 . 1 1 53 53 LYS CA C 53 54.662 54.662 55.864 -1.202 18692 6175 1 15 . 1 1 53 53 LYS CB C 53 32.652 32.652 33.712 -1.060 18692 6176 1 15 . 1 1 53 53 LYS H H 53 7.064 7.064 7.620 -0.556 18692 6177 1 15 . 1 1 54 54 GLY N N 54 105.188 105.188 110.286 -5.098 18692 6178 1 15 . 1 1 54 54 GLY C C 54 175.528 175.528 173.363 2.165 18692 6179 1 15 . 1 1 54 54 GLY CA C 54 45.118 45.118 45.090 0.028 18692 6180 1 15 . 1 1 54 54 GLY H H 54 7.548 7.548 8.708 -1.160 18692 6181 1 15 . 1 1 55 55 HIS N N 55 118.294 118.294 120.001 -1.707 18692 6182 1 15 . 1 1 55 55 HIS HA H 55 4.947 4.947 5.500 -0.553 18692 6183 1 15 . 1 1 55 55 HIS C C 55 175.240 175.240 173.941 1.299 18692 6184 1 15 . 1 1 55 55 HIS CA C 55 54.847 54.847 53.554 1.293 18692 6185 1 15 . 1 1 55 55 HIS CB C 55 31.315 31.315 30.732 0.583 18692 6186 1 15 . 1 1 55 55 HIS H H 55 6.998 6.998 8.061 -1.063 18692 6187 1 15 . 1 1 56 56 GLU N N 56 118.205 118.205 125.667 -7.462 18692 6188 1 15 . 1 1 56 56 GLU HA H 56 4.666 4.666 4.419 0.247 18692 6189 1 15 . 1 1 56 56 GLU C C 56 176.766 176.766 175.129 1.637 18692 6190 1 15 . 1 1 56 56 GLU CA C 56 55.162 55.162 55.434 -0.272 18692 6191 1 15 . 1 1 56 56 GLU CB C 56 33.110 33.110 32.748 0.362 18692 6192 1 15 . 1 1 56 56 GLU H H 56 8.509 8.509 8.116 0.393 18692 6193 1 15 . 1 1 57 57 LEU N N 57 127.769 127.769 126.892 0.877 18692 6194 1 15 . 1 1 57 57 LEU HA H 57 4.786 4.786 4.560 0.226 18692 6195 1 15 . 1 1 57 57 LEU C C 57 177.854 177.854 177.897 -0.043 18692 6196 1 15 . 1 1 57 57 LEU CA C 57 53.780 53.780 54.462 -0.682 18692 6197 1 15 . 1 1 57 57 LEU CB C 57 42.676 42.676 40.097 2.579 18692 6198 1 15 . 1 1 57 57 LEU H H 57 8.978 8.978 8.761 0.217 18692 6199 1 15 . 1 1 58 58 LEU N N 58 128.364 128.364 127.272 1.092 18692 6200 1 15 . 1 1 58 58 LEU HA H 58 4.402 4.402 4.055 0.347 18692 6201 1 15 . 1 1 58 58 LEU C C 58 179.469 179.469 177.344 2.125 18692 6202 1 15 . 1 1 58 58 LEU CA C 58 56.534 56.534 57.283 -0.749 18692 6203 1 15 . 1 1 58 58 LEU CB C 58 42.371 42.371 42.882 -0.511 18692 6204 1 15 . 1 1 58 58 LEU H H 58 9.128 9.128 8.339 0.789 18692 6205 1 15 . 1 1 59 59 ASN N N 59 113.622 113.622 113.092 0.530 18692 6206 1 15 . 1 1 59 59 ASN HA H 59 4.918 4.918 4.721 0.197 18692 6207 1 15 . 1 1 59 59 ASN C C 59 175.560 175.560 173.841 1.719 18692 6208 1 15 . 1 1 59 59 ASN CA C 59 52.389 52.389 53.750 -1.361 18692 6209 1 15 . 1 1 59 59 ASN CB C 59 41.887 41.887 39.269 2.618 18692 6210 1 15 . 1 1 59 59 ASN H H 59 7.574 7.574 8.290 -0.716 18692 6211 1 15 . 1 1 60 60 SER N N 60 118.134 118.134 116.126 2.008 18692 6212 1 15 . 1 1 60 60 SER HA H 60 4.045 4.045 4.492 -0.447 18692 6213 1 15 . 1 1 60 60 SER CA C 60 56.925 56.925 58.640 -1.715 18692 6214 1 15 . 1 1 60 60 SER CB C 60 63.649 63.649 63.737 -0.088 18692 6215 1 15 . 1 1 60 60 SER H H 60 8.436 8.436 8.489 -0.053 18692 6216 1 15 . 1 1 61 61 LEU N N 61 128.266 128.266 120.484 7.782 18692 6217 1 15 . 1 1 61 61 LEU HA H 61 4.219 4.219 5.085 -0.866 18692 6218 1 15 . 1 1 61 61 LEU CA C 61 55.106 55.106 55.714 -0.608 18692 6219 1 15 . 1 1 61 61 LEU CB C 61 44.577 44.577 42.755 1.822 18692 6220 1 15 . 1 1 61 61 LEU H H 61 8.725 8.725 7.843 0.882 18692 6221 1 15 . 1 1 62 62 ARG N N 62 122.383 122.383 124.073 -1.690 18692 6222 1 15 . 1 1 62 62 ARG HA H 62 4.312 4.312 4.390 -0.078 18692 6223 1 15 . 1 1 62 62 ARG C C 62 176.560 176.560 175.164 1.396 18692 6224 1 15 . 1 1 62 62 ARG CA C 62 57.290 57.290 53.576 3.714 18692 6225 1 15 . 1 1 62 62 ARG CB C 62 30.828 30.828 29.567 1.261 18692 6226 1 15 . 1 1 62 62 ARG H H 62 7.303 7.303 8.721 -1.418 18692 6227 1 15 . 1 1 63 63 PHE N N 63 120.560 120.560 120.412 0.148 18692 6228 1 15 . 1 1 63 63 PHE HA H 63 4.613 4.613 4.444 0.169 18692 6229 1 15 . 1 1 63 63 PHE CA C 63 61.377 61.377 58.795 2.582 18692 6230 1 15 . 1 1 63 63 PHE CB C 63 39.908 39.908 38.098 1.810 18692 6231 1 15 . 1 1 63 63 PHE H H 63 8.321 8.321 8.343 -0.022 18692 6232 1 15 . 1 1 64 64 ASN N N 64 117.616 117.616 121.396 -3.780 18692 6233 1 15 . 1 1 64 64 ASN HA H 64 4.377 4.377 4.376 0.001 18692 6234 1 15 . 1 1 64 64 ASN C C 64 176.642 176.642 174.458 2.184 18692 6235 1 15 . 1 1 64 64 ASN CA C 64 53.465 53.465 52.981 0.484 18692 6236 1 15 . 1 1 64 64 ASN CB C 64 37.450 37.450 38.783 -1.333 18692 6237 1 15 . 1 1 64 64 ASN H H 64 8.101 8.101 8.529 -0.428 18692 6238 1 15 . 1 1 65 65 GLN N N 65 115.548 115.548 119.486 -3.938 18692 6239 1 15 . 1 1 65 65 GLN HA H 65 4.275 4.275 4.579 -0.304 18692 6240 1 15 . 1 1 65 65 GLN C C 65 178.411 178.411 174.817 3.594 18692 6241 1 15 . 1 1 65 65 GLN CA C 65 59.127 59.127 54.962 4.165 18692 6242 1 15 . 1 1 65 65 GLN CB C 65 28.650 28.650 30.964 -2.314 18692 6243 1 15 . 1 1 65 65 GLN H H 65 8.330 8.330 7.601 0.729 18692 6244 1 15 . 1 1 66 66 ALA N N 66 120.802 120.802 123.245 -2.443 18692 6245 1 15 . 1 1 66 66 ALA HA H 66 4.652 4.652 4.272 0.380 18692 6246 1 15 . 1 1 66 66 ALA C C 66 178.893 178.893 177.306 1.587 18692 6247 1 15 . 1 1 66 66 ALA CA C 66 52.751 52.751 52.338 0.413 18692 6248 1 15 . 1 1 66 66 ALA CB C 66 21.705 21.705 19.459 2.245 18692 6249 1 15 . 1 1 66 66 ALA H H 66 8.346 8.346 8.235 0.111 18692 6250 1 15 . 1 1 67 67 ASP N N 67 118.909 118.909 120.055 -1.146 18692 6251 1 15 . 1 1 67 67 ASP HA H 67 4.612 4.612 4.408 0.204 18692 6252 1 15 . 1 1 67 67 ASP C C 67 175.639 175.639 175.385 0.254 18692 6253 1 15 . 1 1 67 67 ASP CA C 67 54.726 54.726 55.065 -0.339 18692 6254 1 15 . 1 1 67 67 ASP CB C 67 45.152 45.152 40.776 4.376 18692 6255 1 15 . 1 1 67 67 ASP H H 67 8.117 8.117 8.330 -0.213 18692 6256 1 15 . 1 1 68 68 TRP HA H 68 4.477 4.477 4.943 -0.466 18692 6257 1 15 . 1 1 68 68 TRP CA C 68 56.253 56.253 55.549 0.704 18692 6258 1 15 . 1 1 68 68 TRP CB C 68 33.719 33.719 33.510 0.209 18692 6259 1 15 . 1 1 68 68 TRP H H 68 8.310 8.310 7.632 0.678 18692 6260 1 15 . 1 1 69 69 THR N N 69 114.495 114.495 111.242 3.253 18692 6261 1 15 . 1 1 69 69 THR HA H 69 5.605 5.605 5.149 0.456 18692 6262 1 15 . 1 1 69 69 THR C C 69 176.005 176.005 173.230 2.775 18692 6263 1 15 . 1 1 69 69 THR CA C 69 58.855 58.855 61.116 -2.261 18692 6264 1 15 . 1 1 69 69 THR CB C 69 72.755 72.755 71.049 1.706 18692 6265 1 15 . 1 1 69 69 THR H H 69 7.985 7.985 8.668 -0.683 18692 6266 1 15 . 1 1 70 70 ILE N N 70 114.448 114.448 123.324 -8.876 18692 6267 1 15 . 1 1 70 70 ILE HA H 70 5.384 5.384 4.787 0.597 18692 6268 1 15 . 1 1 70 70 ILE C C 70 175.751 175.751 173.456 2.295 18692 6269 1 15 . 1 1 70 70 ILE CA C 70 59.637 59.637 58.950 0.687 18692 6270 1 15 . 1 1 70 70 ILE CB C 70 41.689 41.689 42.449 -0.760 18692 6271 1 15 . 1 1 70 70 ILE H H 70 8.807 8.807 8.765 0.042 18692 6272 1 15 . 1 1 71 71 VAL N N 71 124.084 124.084 125.288 -1.204 18692 6273 1 15 . 1 1 71 71 VAL HA H 71 5.012 5.012 4.533 0.479 18692 6274 1 15 . 1 1 71 71 VAL C C 71 177.625 177.625 174.529 3.096 18692 6275 1 15 . 1 1 71 71 VAL CA C 71 61.647 61.647 60.919 0.728 18692 6276 1 15 . 1 1 71 71 VAL CB C 71 32.482 32.482 32.360 0.122 18692 6277 1 15 . 1 1 71 71 VAL H H 71 8.500 8.500 8.386 0.114 18692 6278 1 15 . 1 1 72 72 VAL N N 72 127.753 127.753 124.566 3.187 18692 6279 1 15 . 1 1 72 72 VAL HA H 72 5.147 5.147 4.399 0.748 18692 6280 1 15 . 1 1 72 72 VAL C C 72 175.444 175.444 174.920 0.524 18692 6281 1 15 . 1 1 72 72 VAL CA C 72 60.252 60.252 60.440 -0.188 18692 6282 1 15 . 1 1 72 72 VAL CB C 72 37.425 37.425 33.884 3.541 18692 6283 1 15 . 1 1 72 72 VAL H H 72 9.280 9.280 7.980 1.300 18692 6284 1 15 . 1 1 73 73 ARG N N 73 125.839 125.839 126.503 -0.664 18692 6285 1 15 . 1 1 73 73 ARG HA H 73 5.458 5.458 5.083 0.375 18692 6286 1 15 . 1 1 73 73 ARG C C 73 177.981 177.981 175.756 2.225 18692 6287 1 15 . 1 1 73 73 ARG CA C 73 53.788 53.788 54.249 -0.461 18692 6288 1 15 . 1 1 73 73 ARG CB C 73 33.855 33.855 31.211 2.644 18692 6289 1 15 . 1 1 73 73 ARG H H 73 9.194 9.194 8.095 1.099 18692 6290 1 15 . 1 1 74 74 LYS N N 74 129.522 129.522 125.290 4.232 18692 6291 1 15 . 1 1 74 74 LYS HA H 74 4.323 4.323 4.621 -0.298 18692 6292 1 15 . 1 1 74 74 LYS C C 74 178.340 178.340 176.349 1.991 18692 6293 1 15 . 1 1 74 74 LYS CA C 74 55.983 55.983 56.733 -0.750 18692 6294 1 15 . 1 1 74 74 LYS CB C 74 33.103 33.103 33.975 -0.872 18692 6295 1 15 . 1 1 74 74 LYS H H 74 10.930 10.930 8.051 2.879 18692 6296 1 15 . 1 1 75 75 LYS N N 75 131.817 131.817 118.955 12.862 18692 6297 1 15 . 1 1 75 75 LYS HA H 75 4.489 4.489 4.744 -0.255 18692 6298 1 15 . 1 1 75 75 LYS CA C 75 55.927 55.927 55.131 0.796 18692 6299 1 15 . 1 1 75 75 LYS CB C 75 29.730 29.730 36.209 -6.479 18692 6300 1 15 . 1 1 75 75 LYS H H 75 10.873 10.873 8.265 2.608 18692 6301 1 16 . 1 1 2 2 LYS N N 2 127.399 127.399 119.274 8.125 18692 6302 1 16 . 1 1 2 2 LYS HA H 2 3.954 3.954 4.084 -0.130 18692 6303 1 16 . 1 1 2 2 LYS C C 2 175.826 175.826 174.389 1.437 18692 6304 1 16 . 1 1 2 2 LYS CA C 2 57.475 57.475 57.552 -0.077 18692 6305 1 16 . 1 1 2 2 LYS CB C 2 34.009 34.009 30.765 3.244 18692 6306 1 16 . 1 1 2 2 LYS H H 2 9.167 9.167 8.430 0.737 18692 6307 1 16 . 1 1 3 3 ARG N N 3 121.207 121.207 116.192 5.015 18692 6308 1 16 . 1 1 3 3 ARG HA H 3 4.797 4.797 4.738 0.059 18692 6309 1 16 . 1 1 3 3 ARG C C 3 176.719 176.719 174.468 2.251 18692 6310 1 16 . 1 1 3 3 ARG CA C 3 54.082 54.082 54.849 -0.767 18692 6311 1 16 . 1 1 3 3 ARG CB C 3 32.816 32.816 33.068 -0.252 18692 6312 1 16 . 1 1 3 3 ARG H H 3 7.705 7.705 7.627 0.078 18692 6313 1 16 . 1 1 4 4 PHE N N 4 124.380 124.380 122.116 2.264 18692 6314 1 16 . 1 1 4 4 PHE HA H 4 4.729 4.729 4.863 -0.134 18692 6315 1 16 . 1 1 4 4 PHE C C 4 176.180 176.180 174.076 2.104 18692 6316 1 16 . 1 1 4 4 PHE CA C 4 56.584 56.584 56.719 -0.135 18692 6317 1 16 . 1 1 4 4 PHE CB C 4 41.758 41.758 42.588 -0.830 18692 6318 1 16 . 1 1 4 4 PHE H H 4 8.913 8.913 9.355 -0.442 18692 6319 1 16 . 1 1 5 5 ASP N N 5 123.331 123.331 127.773 -4.442 18692 6320 1 16 . 1 1 5 5 ASP HA H 5 4.390 4.390 4.787 -0.397 18692 6321 1 16 . 1 1 5 5 ASP C C 5 177.524 177.524 175.699 1.825 18692 6322 1 16 . 1 1 5 5 ASP CA C 5 53.344 53.344 54.832 -1.488 18692 6323 1 16 . 1 1 5 5 ASP CB C 5 41.043 41.043 41.083 -0.040 18692 6324 1 16 . 1 1 5 5 ASP H H 5 9.113 9.113 8.625 0.488 18692 6325 1 16 . 1 1 6 6 LEU N N 6 122.540 122.540 125.218 -2.678 18692 6326 1 16 . 1 1 6 6 LEU HA H 6 4.304 4.304 4.558 -0.254 18692 6327 1 16 . 1 1 6 6 LEU CA C 6 55.260 55.260 53.910 1.350 18692 6328 1 16 . 1 1 6 6 LEU CB C 6 42.680 42.680 42.059 0.621 18692 6329 1 16 . 1 1 6 6 LEU H H 6 8.305 8.305 9.023 -0.718 18692 6330 1 16 . 1 1 7 7 ARG N N 7 121.715 121.715 122.671 -0.956 18692 6331 1 16 . 1 1 7 7 ARG HA H 7 4.156 4.156 4.194 -0.038 18692 6332 1 16 . 1 1 7 7 ARG C C 7 177.664 177.664 175.696 1.968 18692 6333 1 16 . 1 1 7 7 ARG CA C 7 56.463 56.463 60.473 -4.010 18692 6334 1 16 . 1 1 7 7 ARG CB C 7 29.315 29.315 28.456 0.859 18692 6335 1 16 . 1 1 7 7 ARG H H 7 8.293 8.293 7.848 0.445 18692 6336 1 16 . 1 1 8 8 PRO HA H 8 4.365 4.365 4.355 0.010 18692 6337 1 16 . 1 1 8 8 PRO C C 8 178.886 178.886 176.317 2.569 18692 6338 1 16 . 1 1 8 8 PRO CA C 8 65.193 65.193 63.201 1.992 18692 6339 1 16 . 1 1 8 8 PRO CB C 8 31.566 31.566 31.681 -0.115 18692 6340 1 16 . 1 1 9 9 LEU N N 9 114.107 114.107 121.015 -6.908 18692 6341 1 16 . 1 1 9 9 LEU HA H 9 4.175 4.175 4.333 -0.158 18692 6342 1 16 . 1 1 9 9 LEU C C 9 178.897 178.897 176.188 2.709 18692 6343 1 16 . 1 1 9 9 LEU CA C 9 54.878 54.878 55.017 -0.139 18692 6344 1 16 . 1 1 9 9 LEU CB C 9 41.222 41.222 43.631 -2.409 18692 6345 1 16 . 1 1 9 9 LEU H H 9 7.310 7.310 7.398 -0.088 18692 6346 1 16 . 1 1 10 10 LYS N N 10 116.563 116.563 121.729 -5.166 18692 6347 1 16 . 1 1 10 10 LYS HA H 10 3.823 3.823 4.348 -0.525 18692 6348 1 16 . 1 1 10 10 LYS C C 10 178.805 178.805 175.410 3.395 18692 6349 1 16 . 1 1 10 10 LYS CA C 10 57.693 57.693 55.096 2.597 18692 6350 1 16 . 1 1 10 10 LYS CB C 10 34.124 34.124 33.855 0.269 18692 6351 1 16 . 1 1 10 10 LYS H H 10 8.132 8.132 8.027 0.105 18692 6352 1 16 . 1 1 11 11 ALA N N 11 124.134 124.134 122.157 1.977 18692 6353 1 16 . 1 1 11 11 ALA HA H 11 4.399 4.399 4.172 0.227 18692 6354 1 16 . 1 1 11 11 ALA C C 11 178.877 178.877 178.486 0.391 18692 6355 1 16 . 1 1 11 11 ALA CA C 11 53.292 53.292 53.322 -0.030 18692 6356 1 16 . 1 1 11 11 ALA CB C 11 19.310 19.310 18.659 0.651 18692 6357 1 16 . 1 1 11 11 ALA H H 11 8.239 8.239 8.068 0.171 18692 6358 1 16 . 1 1 12 12 GLY N N 12 108.661 108.661 110.306 -1.645 18692 6359 1 16 . 1 1 12 12 GLY C C 12 178.614 178.614 175.448 3.166 18692 6360 1 16 . 1 1 12 12 GLY CA C 12 47.640 47.640 46.014 1.626 18692 6361 1 16 . 1 1 12 12 GLY H H 12 8.186 8.186 9.076 -0.890 18692 6362 1 16 . 1 1 13 13 ILE N N 13 123.465 123.465 123.940 -0.475 18692 6363 1 16 . 1 1 13 13 ILE HA H 13 4.150 4.150 4.213 -0.063 18692 6364 1 16 . 1 1 13 13 ILE C C 13 177.234 177.234 176.664 0.570 18692 6365 1 16 . 1 1 13 13 ILE CA C 13 60.500 60.500 62.500 -2.000 18692 6366 1 16 . 1 1 13 13 ILE CB C 13 36.970 36.970 38.480 -1.510 18692 6367 1 16 . 1 1 13 13 ILE H H 13 8.309 8.309 7.368 0.941 18692 6368 1 16 . 1 1 14 14 PHE N N 14 119.560 119.560 120.830 -1.270 18692 6369 1 16 . 1 1 14 14 PHE HA H 14 3.354 3.354 4.201 -0.847 18692 6370 1 16 . 1 1 14 14 PHE C C 14 179.301 179.301 176.628 2.673 18692 6371 1 16 . 1 1 14 14 PHE CA C 14 63.883 63.883 61.131 2.752 18692 6372 1 16 . 1 1 14 14 PHE CB C 14 37.608 37.608 38.234 -0.626 18692 6373 1 16 . 1 1 14 14 PHE H H 14 7.801 7.801 7.906 -0.105 18692 6374 1 16 . 1 1 15 15 GLU N N 15 121.567 121.567 119.922 1.645 18692 6375 1 16 . 1 1 15 15 GLU HA H 15 4.260 4.260 3.420 0.840 18692 6376 1 16 . 1 1 15 15 GLU C C 15 181.428 181.428 177.152 4.276 18692 6377 1 16 . 1 1 15 15 GLU CA C 15 60.579 60.579 57.861 2.718 18692 6378 1 16 . 1 1 15 15 GLU CB C 15 28.158 28.158 28.750 -0.591 18692 6379 1 16 . 1 1 15 15 GLU H H 15 8.331 8.331 8.142 0.189 18692 6380 1 16 . 1 1 16 16 ARG N N 16 121.602 121.602 118.603 2.999 18692 6381 1 16 . 1 1 16 16 ARG HA H 16 4.104 4.104 3.816 0.288 18692 6382 1 16 . 1 1 16 16 ARG C C 16 179.418 179.418 178.859 0.559 18692 6383 1 16 . 1 1 16 16 ARG CA C 16 56.877 56.877 58.886 -2.009 18692 6384 1 16 . 1 1 16 16 ARG CB C 16 29.397 29.397 29.927 -0.530 18692 6385 1 16 . 1 1 16 16 ARG H H 16 8.240 8.240 7.608 0.632 18692 6386 1 16 . 1 1 17 17 LEU N N 17 119.769 119.769 120.254 -0.485 18692 6387 1 16 . 1 1 17 17 LEU HA H 17 3.619 3.619 4.072 -0.453 18692 6388 1 16 . 1 1 17 17 LEU C C 17 179.136 179.136 177.939 1.197 18692 6389 1 16 . 1 1 17 17 LEU CA C 17 59.104 59.104 57.063 2.041 18692 6390 1 16 . 1 1 17 17 LEU CB C 17 42.770 42.770 41.280 1.490 18692 6391 1 16 . 1 1 17 17 LEU H H 17 8.134 8.134 8.369 -0.235 18692 6392 1 16 . 1 1 18 18 GLU N N 18 115.547 115.547 118.388 -2.841 18692 6393 1 16 . 1 1 18 18 GLU HA H 18 3.889 3.889 3.357 0.532 18692 6394 1 16 . 1 1 18 18 GLU C C 18 179.643 179.643 178.214 1.429 18692 6395 1 16 . 1 1 18 18 GLU CA C 18 59.929 59.929 59.452 0.477 18692 6396 1 16 . 1 1 18 18 GLU CB C 18 29.170 29.170 28.865 0.305 18692 6397 1 16 . 1 1 18 18 GLU H H 18 7.674 7.674 7.653 0.021 18692 6398 1 16 . 1 1 19 19 GLU N N 19 119.211 119.211 118.648 0.563 18692 6399 1 16 . 1 1 19 19 GLU HA H 19 4.047 4.047 4.029 0.018 18692 6400 1 16 . 1 1 19 19 GLU C C 19 180.374 180.374 178.101 2.273 18692 6401 1 16 . 1 1 19 19 GLU CA C 19 59.441 59.441 58.153 1.288 18692 6402 1 16 . 1 1 19 19 GLU CB C 19 30.269 30.269 29.515 0.754 18692 6403 1 16 . 1 1 19 19 GLU H H 19 7.782 7.782 7.365 0.417 18692 6404 1 16 . 1 1 20 20 LEU N N 20 119.264 119.264 120.246 -0.982 18692 6405 1 16 . 1 1 20 20 LEU HA H 20 3.761 3.761 3.960 -0.199 18692 6406 1 16 . 1 1 20 20 LEU C C 20 181.666 181.666 178.653 3.013 18692 6407 1 16 . 1 1 20 20 LEU CA C 20 57.862 57.862 57.708 0.154 18692 6408 1 16 . 1 1 20 20 LEU CB C 20 42.111 42.111 42.118 -0.007 18692 6409 1 16 . 1 1 20 20 LEU H H 20 8.507 8.507 7.520 0.987 18692 6410 1 16 . 1 1 21 21 ILE N N 21 117.879 117.879 117.608 0.271 18692 6411 1 16 . 1 1 21 21 ILE HA H 21 3.697 3.697 3.831 -0.134 18692 6412 1 16 . 1 1 21 21 ILE C C 21 181.696 181.696 176.929 4.767 18692 6413 1 16 . 1 1 21 21 ILE CA C 21 65.174 65.174 61.898 3.276 18692 6414 1 16 . 1 1 21 21 ILE CB C 21 38.420 38.420 37.938 0.482 18692 6415 1 16 . 1 1 21 21 ILE H H 21 7.750 7.750 7.016 0.734 18692 6416 1 16 . 1 1 22 22 GLU N N 22 116.656 116.656 120.388 -3.732 18692 6417 1 16 . 1 1 22 22 GLU HA H 22 3.891 3.891 3.880 0.011 18692 6418 1 16 . 1 1 22 22 GLU C C 22 180.424 180.424 178.344 2.080 18692 6419 1 16 . 1 1 22 22 GLU CA C 22 59.864 59.864 59.809 0.055 18692 6420 1 16 . 1 1 22 22 GLU CB C 22 30.047 30.047 29.252 0.795 18692 6421 1 16 . 1 1 22 22 GLU H H 22 8.203 8.203 7.611 0.592 18692 6422 1 16 . 1 1 23 23 LYS N N 23 113.426 113.426 116.871 -3.445 18692 6423 1 16 . 1 1 23 23 LYS HA H 23 4.392 4.392 4.080 0.312 18692 6424 1 16 . 1 1 23 23 LYS C C 23 180.639 180.639 178.447 2.192 18692 6425 1 16 . 1 1 23 23 LYS CA C 23 57.952 57.952 58.915 -0.963 18692 6426 1 16 . 1 1 23 23 LYS CB C 23 34.655 34.655 32.385 2.270 18692 6427 1 16 . 1 1 23 23 LYS H H 23 8.713 8.713 7.327 1.386 18692 6428 1 16 . 1 1 24 24 GLU N N 24 115.943 115.943 118.203 -2.260 18692 6429 1 16 . 1 1 24 24 GLU HA H 24 4.730 4.730 4.187 0.543 18692 6430 1 16 . 1 1 24 24 GLU C C 24 177.407 177.407 177.336 0.071 18692 6431 1 16 . 1 1 24 24 GLU CA C 24 56.241 56.241 57.282 -1.041 18692 6432 1 16 . 1 1 24 24 GLU CB C 24 30.664 30.664 30.408 0.256 18692 6433 1 16 . 1 1 24 24 GLU H H 24 8.225 8.225 7.683 0.542 18692 6434 1 16 . 1 1 25 25 MET N N 25 115.075 115.075 118.523 -3.448 18692 6435 1 16 . 1 1 25 25 MET HA H 25 4.832 4.832 4.290 0.542 18692 6436 1 16 . 1 1 25 25 MET C C 25 177.286 177.286 175.760 1.526 18692 6437 1 16 . 1 1 25 25 MET CA C 25 55.022 55.022 55.863 -0.841 18692 6438 1 16 . 1 1 25 25 MET CB C 25 37.416 37.416 33.163 4.253 18692 6439 1 16 . 1 1 25 25 MET H H 25 6.860 6.860 7.487 -0.627 18692 6440 1 16 . 1 1 26 26 GLN N N 26 122.801 122.801 120.641 2.160 18692 6441 1 16 . 1 1 26 26 GLN HA H 26 4.345 4.345 4.340 0.005 18692 6442 1 16 . 1 1 26 26 GLN C C 26 175.718 175.718 175.988 -0.270 18692 6443 1 16 . 1 1 26 26 GLN CA C 26 52.909 52.909 56.471 -3.562 18692 6444 1 16 . 1 1 26 26 GLN CB C 26 28.417 28.417 28.829 -0.412 18692 6445 1 16 . 1 1 26 26 GLN H H 26 9.264 9.264 8.502 0.762 18692 6446 1 16 . 1 1 27 27 PRO HA H 27 3.915 3.915 4.324 -0.409 18692 6447 1 16 . 1 1 27 27 PRO C C 27 177.450 177.450 175.985 1.465 18692 6448 1 16 . 1 1 27 27 PRO CA C 27 64.908 64.908 64.636 0.272 18692 6449 1 16 . 1 1 27 27 PRO CB C 27 31.265 31.265 32.078 -0.813 18692 6450 1 16 . 1 1 28 28 ASN N N 28 118.995 118.995 113.415 5.580 18692 6451 1 16 . 1 1 28 28 ASN HA H 28 4.475 4.475 5.161 -0.686 18692 6452 1 16 . 1 1 28 28 ASN C C 28 179.421 179.421 174.071 5.350 18692 6453 1 16 . 1 1 28 28 ASN CA C 28 55.368 55.368 52.608 2.760 18692 6454 1 16 . 1 1 28 28 ASN CB C 28 38.967 38.967 40.217 -1.250 18692 6455 1 16 . 1 1 28 28 ASN H H 28 8.458 8.458 8.151 0.307 18692 6456 1 16 . 1 1 29 29 GLU N N 29 123.128 123.128 119.868 3.260 18692 6457 1 16 . 1 1 29 29 GLU HA H 29 4.291 4.291 4.564 -0.273 18692 6458 1 16 . 1 1 29 29 GLU C C 29 175.883 175.883 174.621 1.262 18692 6459 1 16 . 1 1 29 29 GLU CA C 29 56.876 56.876 55.107 1.769 18692 6460 1 16 . 1 1 29 29 GLU CB C 29 31.863 31.863 33.289 -1.426 18692 6461 1 16 . 1 1 29 29 GLU H H 29 8.294 8.294 7.778 0.516 18692 6462 1 16 . 1 1 30 30 VAL N N 30 123.635 123.635 120.242 3.393 18692 6463 1 16 . 1 1 30 30 VAL HA H 30 5.293 5.293 4.708 0.585 18692 6464 1 16 . 1 1 30 30 VAL C C 30 177.201 177.201 174.868 2.333 18692 6465 1 16 . 1 1 30 30 VAL CA C 30 60.562 60.562 60.073 0.489 18692 6466 1 16 . 1 1 30 30 VAL CB C 30 33.419 33.419 33.665 -0.246 18692 6467 1 16 . 1 1 30 30 VAL H H 30 8.067 8.067 8.361 -0.294 18692 6468 1 16 . 1 1 31 31 ALA N N 31 127.391 127.391 130.719 -3.328 18692 6469 1 16 . 1 1 31 31 ALA HA H 31 4.919 4.919 4.957 -0.038 18692 6470 1 16 . 1 1 31 31 ALA C C 31 176.179 176.179 175.952 0.227 18692 6471 1 16 . 1 1 31 31 ALA CA C 31 51.470 51.470 50.036 1.434 18692 6472 1 16 . 1 1 31 31 ALA CB C 31 24.772 24.772 21.053 3.719 18692 6473 1 16 . 1 1 31 31 ALA H H 31 9.086 9.086 8.093 0.993 18692 6474 1 16 . 1 1 32 32 ILE N N 32 118.468 118.468 126.042 -7.574 18692 6475 1 16 . 1 1 32 32 ILE HA H 32 5.102 5.102 4.363 0.739 18692 6476 1 16 . 1 1 32 32 ILE C C 32 176.300 176.300 174.764 1.536 18692 6477 1 16 . 1 1 32 32 ILE CA C 32 59.604 59.604 60.818 -1.214 18692 6478 1 16 . 1 1 32 32 ILE CB C 32 41.416 41.416 38.962 2.454 18692 6479 1 16 . 1 1 32 32 ILE H H 32 8.175 8.175 7.997 0.178 18692 6480 1 16 . 1 1 33 33 PHE N N 33 123.926 123.926 128.276 -4.350 18692 6481 1 16 . 1 1 33 33 PHE HA H 33 5.407 5.407 5.465 -0.058 18692 6482 1 16 . 1 1 33 33 PHE C C 33 176.695 176.695 175.935 0.760 18692 6483 1 16 . 1 1 33 33 PHE CA C 33 56.627 56.627 55.337 1.290 18692 6484 1 16 . 1 1 33 33 PHE CB C 33 41.583 41.583 39.239 2.344 18692 6485 1 16 . 1 1 33 33 PHE H H 33 9.277 9.277 8.724 0.553 18692 6486 1 16 . 1 1 34 34 MET N N 34 120.519 120.519 125.874 -5.355 18692 6487 1 16 . 1 1 34 34 MET HA H 34 5.517 5.517 5.449 0.068 18692 6488 1 16 . 1 1 34 34 MET C C 34 177.123 177.123 174.952 2.171 18692 6489 1 16 . 1 1 34 34 MET CA C 34 53.515 53.515 55.370 -1.855 18692 6490 1 16 . 1 1 34 34 MET CB C 34 36.447 36.447 34.533 1.914 18692 6491 1 16 . 1 1 34 34 MET H H 34 8.606 8.606 8.733 -0.128 18692 6492 1 16 . 1 1 35 35 PHE N N 35 118.119 118.119 121.701 -3.582 18692 6493 1 16 . 1 1 35 35 PHE HA H 35 4.642 4.642 5.191 -0.549 18692 6494 1 16 . 1 1 35 35 PHE C C 35 175.188 175.188 173.715 1.473 18692 6495 1 16 . 1 1 35 35 PHE CA C 35 56.100 56.100 55.537 0.563 18692 6496 1 16 . 1 1 35 35 PHE CB C 35 41.450 41.450 41.907 -0.457 18692 6497 1 16 . 1 1 35 35 PHE H H 35 8.832 8.832 8.820 0.012 18692 6498 1 16 . 1 1 36 36 GLU N N 36 120.598 120.598 121.534 -0.936 18692 6499 1 16 . 1 1 36 36 GLU HA H 36 4.890 4.890 4.369 0.521 18692 6500 1 16 . 1 1 36 36 GLU C C 36 179.258 179.258 174.253 5.005 18692 6501 1 16 . 1 1 36 36 GLU CA C 36 57.184 57.184 55.825 1.359 18692 6502 1 16 . 1 1 36 36 GLU CB C 36 30.844 30.844 30.824 0.020 18692 6503 1 16 . 1 1 36 36 GLU H H 36 9.421 9.421 8.854 0.567 18692 6504 1 16 . 1 1 37 37 VAL N N 37 122.817 122.817 118.428 4.389 18692 6505 1 16 . 1 1 37 37 VAL HA H 37 4.230 4.230 4.260 -0.030 18692 6506 1 16 . 1 1 37 37 VAL C C 37 176.550 176.550 175.896 0.654 18692 6507 1 16 . 1 1 37 37 VAL CA C 37 65.923 65.923 61.860 4.063 18692 6508 1 16 . 1 1 37 37 VAL H H 37 9.005 9.005 7.581 1.424 18692 6509 1 16 . 1 1 38 38 GLY N N 38 109.660 109.660 110.688 -1.028 18692 6510 1 16 . 1 1 38 38 GLY C C 38 173.860 173.860 173.376 0.484 18692 6511 1 16 . 1 1 38 38 GLY CA C 38 44.560 44.560 44.207 0.353 18692 6512 1 16 . 1 1 38 38 GLY H H 38 8.440 8.440 8.209 0.231 18692 6513 1 16 . 1 1 39 39 ASP N N 39 119.440 119.440 120.004 -0.564 18692 6514 1 16 . 1 1 39 39 ASP HA H 39 4.910 4.910 4.076 0.834 18692 6515 1 16 . 1 1 39 39 ASP C C 39 177.550 177.550 176.413 1.137 18692 6516 1 16 . 1 1 39 39 ASP CA C 39 54.420 54.420 53.859 0.561 18692 6517 1 16 . 1 1 39 39 ASP CB C 39 37.150 37.150 41.311 -4.161 18692 6518 1 16 . 1 1 39 39 ASP H H 39 8.330 8.330 8.186 0.144 18692 6519 1 16 . 1 1 40 40 PHE N N 40 123.361 123.361 120.176 3.185 18692 6520 1 16 . 1 1 40 40 PHE HA H 40 4.620 4.620 4.702 -0.082 18692 6521 1 16 . 1 1 40 40 PHE CA C 40 56.250 56.250 59.485 -3.235 18692 6522 1 16 . 1 1 40 40 PHE CB C 40 36.150 36.150 39.093 -2.943 18692 6523 1 16 . 1 1 40 40 PHE H H 40 7.949 7.949 7.056 0.893 18692 6524 1 16 . 1 1 41 41 SER N N 41 121.483 121.483 115.773 5.710 18692 6525 1 16 . 1 1 41 41 SER HA H 41 4.492 4.492 4.223 0.269 18692 6526 1 16 . 1 1 41 41 SER C C 41 174.554 174.554 175.976 -1.422 18692 6527 1 16 . 1 1 41 41 SER CA C 41 59.660 59.660 60.540 -0.880 18692 6528 1 16 . 1 1 41 41 SER CB C 41 63.220 63.220 62.475 0.745 18692 6529 1 16 . 1 1 41 41 SER H H 41 8.519 8.519 8.379 0.140 18692 6530 1 16 . 1 1 42 42 ASN N N 42 118.920 118.920 118.901 0.019 18692 6531 1 16 . 1 1 42 42 ASN HA H 42 4.910 4.910 4.622 0.288 18692 6532 1 16 . 1 1 42 42 ASN CA C 42 53.490 53.490 55.147 -1.657 18692 6533 1 16 . 1 1 42 42 ASN CB C 42 38.120 38.120 38.502 -0.382 18692 6534 1 16 . 1 1 42 42 ASN H H 42 8.330 8.330 8.217 0.113 18692 6535 1 16 . 1 1 43 43 ILE N N 43 121.540 121.540 121.175 0.365 18692 6536 1 16 . 1 1 43 43 ILE HA H 43 4.180 4.180 3.779 0.401 18692 6537 1 16 . 1 1 43 43 ILE CA C 43 60.110 60.110 66.446 -6.336 18692 6538 1 16 . 1 1 43 43 ILE CB C 43 38.440 38.440 35.034 3.406 18692 6539 1 16 . 1 1 43 43 ILE H H 43 8.293 8.293 7.759 0.534 18692 6540 1 16 . 1 1 44 44 PRO HA H 44 4.461 4.461 4.400 0.061 18692 6541 1 16 . 1 1 44 44 PRO C C 44 176.465 176.465 178.614 -2.149 18692 6542 1 16 . 1 1 44 44 PRO CA C 44 65.358 65.358 65.323 0.035 18692 6543 1 16 . 1 1 44 44 PRO CB C 44 30.441 30.441 31.183 -0.742 18692 6544 1 16 . 1 1 45 45 LYS N N 45 116.236 116.236 117.529 -1.293 18692 6545 1 16 . 1 1 45 45 LYS HA H 45 4.128 4.128 4.109 0.019 18692 6546 1 16 . 1 1 45 45 LYS C C 45 181.467 181.467 178.232 3.235 18692 6547 1 16 . 1 1 45 45 LYS CA C 45 59.712 59.712 59.120 0.592 18692 6548 1 16 . 1 1 45 45 LYS CB C 45 33.281 33.281 32.206 1.075 18692 6549 1 16 . 1 1 45 45 LYS H H 45 7.270 7.270 7.492 -0.222 18692 6550 1 16 . 1 1 46 46 SER N N 46 116.059 116.059 115.600 0.459 18692 6551 1 16 . 1 1 46 46 SER HA H 46 4.080 4.080 4.222 -0.142 18692 6552 1 16 . 1 1 46 46 SER C C 46 177.432 177.432 176.796 0.636 18692 6553 1 16 . 1 1 46 46 SER CA C 46 63.202 63.202 60.759 2.443 18692 6554 1 16 . 1 1 46 46 SER CB C 46 62.118 62.118 62.943 -0.825 18692 6555 1 16 . 1 1 46 46 SER H H 46 8.293 8.293 7.456 0.837 18692 6556 1 16 . 1 1 47 47 ALA N N 47 126.579 126.579 124.491 2.088 18692 6557 1 16 . 1 1 47 47 ALA HA H 47 4.128 4.128 4.255 -0.127 18692 6558 1 16 . 1 1 47 47 ALA C C 47 181.528 181.528 178.366 3.162 18692 6559 1 16 . 1 1 47 47 ALA CA C 47 55.704 55.704 54.613 1.091 18692 6560 1 16 . 1 1 47 47 ALA CB C 47 18.326 18.326 18.199 0.127 18692 6561 1 16 . 1 1 47 47 ALA H H 47 6.990 6.990 7.832 -0.842 18692 6562 1 16 . 1 1 48 48 GLU N N 48 117.980 117.980 117.520 0.460 18692 6563 1 16 . 1 1 48 48 GLU HA H 48 4.062 4.062 2.919 1.143 18692 6564 1 16 . 1 1 48 48 GLU C C 48 180.822 180.822 177.766 3.056 18692 6565 1 16 . 1 1 48 48 GLU CA C 48 59.100 59.100 57.524 1.576 18692 6566 1 16 . 1 1 48 48 GLU CB C 48 29.770 29.770 29.340 0.430 18692 6567 1 16 . 1 1 48 48 GLU H H 48 7.863 7.863 7.410 0.453 18692 6568 1 16 . 1 1 49 49 PHE N N 49 122.179 122.179 117.377 4.802 18692 6569 1 16 . 1 1 49 49 PHE HA H 49 4.117 4.117 4.168 -0.051 18692 6570 1 16 . 1 1 49 49 PHE C C 49 179.580 179.580 176.933 2.647 18692 6571 1 16 . 1 1 49 49 PHE CA C 49 57.813 57.813 60.422 -2.608 18692 6572 1 16 . 1 1 49 49 PHE CB C 49 41.695 41.695 39.113 2.582 18692 6573 1 16 . 1 1 49 49 PHE H H 49 8.341 8.341 7.729 0.612 18692 6574 1 16 . 1 1 50 50 ILE N N 50 117.469 117.469 117.147 0.322 18692 6575 1 16 . 1 1 50 50 ILE HA H 50 3.533 3.533 4.005 -0.472 18692 6576 1 16 . 1 1 50 50 ILE C C 50 179.698 179.698 176.374 3.324 18692 6577 1 16 . 1 1 50 50 ILE CA C 50 62.884 62.884 62.471 0.413 18692 6578 1 16 . 1 1 50 50 ILE CB C 50 36.669 36.669 38.077 -1.407 18692 6579 1 16 . 1 1 50 50 ILE H H 50 8.322 8.322 7.239 1.083 18692 6580 1 16 . 1 1 51 51 GLN N N 51 117.190 117.190 117.618 -0.428 18692 6581 1 16 . 1 1 51 51 GLN HA H 51 4.261 4.261 4.497 -0.236 18692 6582 1 16 . 1 1 51 51 GLN C C 51 182.627 182.627 175.321 7.306 18692 6583 1 16 . 1 1 51 51 GLN CA C 51 58.862 58.862 55.049 3.813 18692 6584 1 16 . 1 1 51 51 GLN CB C 51 28.451 28.451 31.820 -3.369 18692 6585 1 16 . 1 1 51 51 GLN H H 51 7.887 7.887 7.567 0.320 18692 6586 1 16 . 1 1 52 52 SER N N 52 117.670 117.670 119.673 -2.003 18692 6587 1 16 . 1 1 52 52 SER HA H 52 4.137 4.137 4.283 -0.146 18692 6588 1 16 . 1 1 52 52 SER CA C 52 61.401 61.401 61.104 0.297 18692 6589 1 16 . 1 1 52 52 SER CB C 52 62.615 62.615 63.381 -0.766 18692 6590 1 16 . 1 1 52 52 SER H H 52 8.556 8.556 8.765 -0.209 18692 6591 1 16 . 1 1 53 53 LYS N N 53 119.008 119.008 118.327 0.681 18692 6592 1 16 . 1 1 53 53 LYS HA H 53 4.170 4.170 4.448 -0.278 18692 6593 1 16 . 1 1 53 53 LYS C C 53 177.911 177.911 175.599 2.312 18692 6594 1 16 . 1 1 53 53 LYS CA C 53 54.662 54.662 56.077 -1.415 18692 6595 1 16 . 1 1 53 53 LYS CB C 53 32.652 32.652 32.757 -0.105 18692 6596 1 16 . 1 1 53 53 LYS H H 53 7.064 7.064 7.545 -0.481 18692 6597 1 16 . 1 1 54 54 GLY N N 54 105.188 105.188 112.429 -7.241 18692 6598 1 16 . 1 1 54 54 GLY C C 54 175.528 175.528 173.644 1.884 18692 6599 1 16 . 1 1 54 54 GLY CA C 54 45.118 45.118 45.475 -0.357 18692 6600 1 16 . 1 1 54 54 GLY H H 54 7.548 7.548 8.711 -1.163 18692 6601 1 16 . 1 1 55 55 HIS N N 55 118.294 118.294 122.089 -3.795 18692 6602 1 16 . 1 1 55 55 HIS HA H 55 4.947 4.947 4.672 0.275 18692 6603 1 16 . 1 1 55 55 HIS C C 55 175.240 175.240 174.253 0.987 18692 6604 1 16 . 1 1 55 55 HIS CA C 55 54.847 54.847 55.460 -0.613 18692 6605 1 16 . 1 1 55 55 HIS CB C 55 31.315 31.315 29.194 2.121 18692 6606 1 16 . 1 1 55 55 HIS H H 55 6.998 6.998 8.113 -1.115 18692 6607 1 16 . 1 1 56 56 GLU N N 56 118.205 118.205 125.982 -7.777 18692 6608 1 16 . 1 1 56 56 GLU HA H 56 4.666 4.666 4.433 0.233 18692 6609 1 16 . 1 1 56 56 GLU C C 56 176.766 176.766 174.940 1.826 18692 6610 1 16 . 1 1 56 56 GLU CA C 56 55.162 55.162 54.982 0.180 18692 6611 1 16 . 1 1 56 56 GLU CB C 56 33.110 33.110 32.326 0.784 18692 6612 1 16 . 1 1 56 56 GLU H H 56 8.509 8.509 8.089 0.420 18692 6613 1 16 . 1 1 57 57 LEU N N 57 127.769 127.769 127.364 0.405 18692 6614 1 16 . 1 1 57 57 LEU HA H 57 4.786 4.786 4.733 0.053 18692 6615 1 16 . 1 1 57 57 LEU C C 57 177.854 177.854 177.700 0.154 18692 6616 1 16 . 1 1 57 57 LEU CA C 57 53.780 53.780 53.891 -0.111 18692 6617 1 16 . 1 1 57 57 LEU CB C 57 42.676 42.676 40.328 2.348 18692 6618 1 16 . 1 1 57 57 LEU H H 57 8.978 8.978 8.841 0.137 18692 6619 1 16 . 1 1 58 58 LEU N N 58 128.364 128.364 125.190 3.174 18692 6620 1 16 . 1 1 58 58 LEU HA H 58 4.402 4.402 4.031 0.371 18692 6621 1 16 . 1 1 58 58 LEU C C 58 179.469 179.469 177.358 2.111 18692 6622 1 16 . 1 1 58 58 LEU CA C 58 56.534 56.534 57.997 -1.463 18692 6623 1 16 . 1 1 58 58 LEU CB C 58 42.371 42.371 42.644 -0.273 18692 6624 1 16 . 1 1 58 58 LEU H H 58 9.128 9.128 7.991 1.137 18692 6625 1 16 . 1 1 59 59 ASN N N 59 113.622 113.622 115.174 -1.552 18692 6626 1 16 . 1 1 59 59 ASN HA H 59 4.918 4.918 4.888 0.030 18692 6627 1 16 . 1 1 59 59 ASN C C 59 175.560 175.560 173.997 1.563 18692 6628 1 16 . 1 1 59 59 ASN CA C 59 52.389 52.389 52.284 0.105 18692 6629 1 16 . 1 1 59 59 ASN CB C 59 41.887 41.887 39.725 2.162 18692 6630 1 16 . 1 1 59 59 ASN H H 59 7.574 7.574 7.849 -0.275 18692 6631 1 16 . 1 1 60 60 SER N N 60 118.134 118.134 120.979 -2.845 18692 6632 1 16 . 1 1 60 60 SER HA H 60 4.045 4.045 4.334 -0.289 18692 6633 1 16 . 1 1 60 60 SER CA C 60 56.925 56.925 58.401 -1.476 18692 6634 1 16 . 1 1 60 60 SER CB C 60 63.649 63.649 64.026 -0.377 18692 6635 1 16 . 1 1 60 60 SER H H 60 8.436 8.436 8.613 -0.177 18692 6636 1 16 . 1 1 61 61 LEU N N 61 128.266 128.266 121.294 6.972 18692 6637 1 16 . 1 1 61 61 LEU HA H 61 4.219 4.219 4.629 -0.410 18692 6638 1 16 . 1 1 61 61 LEU CA C 61 55.106 55.106 55.733 -0.627 18692 6639 1 16 . 1 1 61 61 LEU CB C 61 44.577 44.577 42.490 2.087 18692 6640 1 16 . 1 1 61 61 LEU H H 61 8.725 8.725 8.244 0.481 18692 6641 1 16 . 1 1 62 62 ARG N N 62 122.383 122.383 124.932 -2.549 18692 6642 1 16 . 1 1 62 62 ARG HA H 62 4.312 4.312 4.301 0.011 18692 6643 1 16 . 1 1 62 62 ARG C C 62 176.560 176.560 176.353 0.207 18692 6644 1 16 . 1 1 62 62 ARG CA C 62 57.290 57.290 54.283 3.007 18692 6645 1 16 . 1 1 62 62 ARG CB C 62 30.828 30.828 27.711 3.117 18692 6646 1 16 . 1 1 62 62 ARG H H 62 7.303 7.303 8.959 -1.656 18692 6647 1 16 . 1 1 63 63 PHE N N 63 120.560 120.560 120.497 0.063 18692 6648 1 16 . 1 1 63 63 PHE HA H 63 4.613 4.613 4.115 0.498 18692 6649 1 16 . 1 1 63 63 PHE CA C 63 61.377 61.377 58.816 2.561 18692 6650 1 16 . 1 1 63 63 PHE CB C 63 39.908 39.908 37.825 2.083 18692 6651 1 16 . 1 1 63 63 PHE H H 63 8.321 8.321 7.957 0.364 18692 6652 1 16 . 1 1 64 64 ASN N N 64 117.616 117.616 116.288 1.328 18692 6653 1 16 . 1 1 64 64 ASN HA H 64 4.377 4.377 3.617 0.760 18692 6654 1 16 . 1 1 64 64 ASN C C 64 176.642 176.642 175.502 1.140 18692 6655 1 16 . 1 1 64 64 ASN CA C 64 53.465 53.465 54.779 -1.314 18692 6656 1 16 . 1 1 64 64 ASN CB C 64 37.450 37.450 37.895 -0.445 18692 6657 1 16 . 1 1 64 64 ASN H H 64 8.101 8.101 7.735 0.366 18692 6658 1 16 . 1 1 65 65 GLN N N 65 115.548 115.548 117.874 -2.326 18692 6659 1 16 . 1 1 65 65 GLN HA H 65 4.275 4.275 4.383 -0.108 18692 6660 1 16 . 1 1 65 65 GLN C C 65 178.411 178.411 174.838 3.573 18692 6661 1 16 . 1 1 65 65 GLN CA C 65 59.127 59.127 53.886 5.241 18692 6662 1 16 . 1 1 65 65 GLN CB C 65 28.650 28.650 30.744 -2.094 18692 6663 1 16 . 1 1 65 65 GLN H H 65 8.330 8.330 7.481 0.849 18692 6664 1 16 . 1 1 66 66 ALA N N 66 120.802 120.802 122.026 -1.224 18692 6665 1 16 . 1 1 66 66 ALA HA H 66 4.652 4.652 4.258 0.394 18692 6666 1 16 . 1 1 66 66 ALA C C 66 178.893 178.893 177.010 1.883 18692 6667 1 16 . 1 1 66 66 ALA CA C 66 52.751 52.751 51.856 0.895 18692 6668 1 16 . 1 1 66 66 ALA CB C 66 21.705 21.705 19.433 2.272 18692 6669 1 16 . 1 1 66 66 ALA H H 66 8.346 8.346 8.266 0.080 18692 6670 1 16 . 1 1 67 67 ASP N N 67 118.909 118.909 118.712 0.197 18692 6671 1 16 . 1 1 67 67 ASP HA H 67 4.612 4.612 4.348 0.264 18692 6672 1 16 . 1 1 67 67 ASP C C 67 175.639 175.639 175.537 0.102 18692 6673 1 16 . 1 1 67 67 ASP CA C 67 54.726 54.726 55.153 -0.427 18692 6674 1 16 . 1 1 67 67 ASP CB C 67 45.152 45.152 39.670 5.482 18692 6675 1 16 . 1 1 67 67 ASP H H 67 8.117 8.117 8.384 -0.267 18692 6676 1 16 . 1 1 68 68 TRP HA H 68 4.477 4.477 4.911 -0.434 18692 6677 1 16 . 1 1 68 68 TRP CA C 68 56.253 56.253 56.002 0.251 18692 6678 1 16 . 1 1 68 68 TRP CB C 68 33.719 33.719 33.450 0.269 18692 6679 1 16 . 1 1 68 68 TRP H H 68 8.310 8.310 7.614 0.696 18692 6680 1 16 . 1 1 69 69 THR N N 69 114.495 114.495 113.291 1.204 18692 6681 1 16 . 1 1 69 69 THR HA H 69 5.605 5.605 4.795 0.810 18692 6682 1 16 . 1 1 69 69 THR C C 69 176.005 176.005 173.293 2.712 18692 6683 1 16 . 1 1 69 69 THR CA C 69 58.855 58.855 60.541 -1.686 18692 6684 1 16 . 1 1 69 69 THR CB C 69 72.755 72.755 70.366 2.389 18692 6685 1 16 . 1 1 69 69 THR H H 69 7.985 7.985 8.036 -0.051 18692 6686 1 16 . 1 1 70 70 ILE N N 70 114.448 114.448 128.509 -14.061 18692 6687 1 16 . 1 1 70 70 ILE HA H 70 5.384 5.384 4.625 0.759 18692 6688 1 16 . 1 1 70 70 ILE C C 70 175.751 175.751 174.063 1.688 18692 6689 1 16 . 1 1 70 70 ILE CA C 70 59.637 59.637 58.775 0.862 18692 6690 1 16 . 1 1 70 70 ILE CB C 70 41.689 41.689 41.441 0.248 18692 6691 1 16 . 1 1 70 70 ILE H H 70 8.807 8.807 8.220 0.587 18692 6692 1 16 . 1 1 71 71 VAL N N 71 124.084 124.084 126.797 -2.713 18692 6693 1 16 . 1 1 71 71 VAL HA H 71 5.012 5.012 4.585 0.427 18692 6694 1 16 . 1 1 71 71 VAL C C 71 177.625 177.625 174.540 3.085 18692 6695 1 16 . 1 1 71 71 VAL CA C 71 61.647 61.647 60.861 0.786 18692 6696 1 16 . 1 1 71 71 VAL CB C 71 32.482 32.482 32.348 0.134 18692 6697 1 16 . 1 1 71 71 VAL H H 71 8.500 8.500 8.362 0.138 18692 6698 1 16 . 1 1 72 72 VAL N N 72 127.753 127.753 124.741 3.012 18692 6699 1 16 . 1 1 72 72 VAL HA H 72 5.147 5.147 4.421 0.726 18692 6700 1 16 . 1 1 72 72 VAL C C 72 175.444 175.444 175.116 0.328 18692 6701 1 16 . 1 1 72 72 VAL CA C 72 60.252 60.252 60.509 -0.257 18692 6702 1 16 . 1 1 72 72 VAL CB C 72 37.425 37.425 33.688 3.737 18692 6703 1 16 . 1 1 72 72 VAL H H 72 9.280 9.280 8.093 1.187 18692 6704 1 16 . 1 1 73 73 ARG N N 73 125.839 125.839 126.582 -0.743 18692 6705 1 16 . 1 1 73 73 ARG HA H 73 5.458 5.458 5.207 0.251 18692 6706 1 16 . 1 1 73 73 ARG C C 73 177.981 177.981 176.300 1.681 18692 6707 1 16 . 1 1 73 73 ARG CA C 73 53.788 53.788 54.033 -0.245 18692 6708 1 16 . 1 1 73 73 ARG CB C 73 33.855 33.855 30.905 2.950 18692 6709 1 16 . 1 1 73 73 ARG H H 73 9.194 9.194 8.258 0.936 18692 6710 1 16 . 1 1 74 74 LYS N N 74 129.522 129.522 125.277 4.245 18692 6711 1 16 . 1 1 74 74 LYS HA H 74 4.323 4.323 4.187 0.136 18692 6712 1 16 . 1 1 74 74 LYS C C 74 178.340 178.340 176.050 2.290 18692 6713 1 16 . 1 1 74 74 LYS CA C 74 55.983 55.983 57.936 -1.953 18692 6714 1 16 . 1 1 74 74 LYS CB C 74 33.103 33.103 33.569 -0.466 18692 6715 1 16 . 1 1 74 74 LYS H H 74 10.930 10.930 8.355 2.575 18692 6716 1 16 . 1 1 75 75 LYS N N 75 131.817 131.817 118.960 12.857 18692 6717 1 16 . 1 1 75 75 LYS HA H 75 4.489 4.489 4.607 -0.118 18692 6718 1 16 . 1 1 75 75 LYS CA C 75 55.927 55.927 55.361 0.566 18692 6719 1 16 . 1 1 75 75 LYS CB C 75 29.730 29.730 34.441 -4.712 18692 6720 1 16 . 1 1 75 75 LYS H H 75 10.873 10.873 8.125 2.748 18692 6721 1 17 . 1 1 2 2 LYS N N 2 127.399 127.399 120.050 7.349 18692 6722 1 17 . 1 1 2 2 LYS HA H 2 3.954 3.954 4.719 -0.765 18692 6723 1 17 . 1 1 2 2 LYS C C 2 175.826 175.826 174.971 0.855 18692 6724 1 17 . 1 1 2 2 LYS CA C 2 57.475 57.475 55.748 1.727 18692 6725 1 17 . 1 1 2 2 LYS CB C 2 34.009 34.009 33.123 0.886 18692 6726 1 17 . 1 1 2 2 LYS H H 2 9.167 9.167 8.264 0.903 18692 6727 1 17 . 1 1 3 3 ARG N N 3 121.207 121.207 118.517 2.690 18692 6728 1 17 . 1 1 3 3 ARG HA H 3 4.797 4.797 4.835 -0.038 18692 6729 1 17 . 1 1 3 3 ARG C C 3 176.719 176.719 174.525 2.194 18692 6730 1 17 . 1 1 3 3 ARG CA C 3 54.082 54.082 55.238 -1.156 18692 6731 1 17 . 1 1 3 3 ARG CB C 3 32.816 32.816 33.171 -0.355 18692 6732 1 17 . 1 1 3 3 ARG H H 3 7.705 7.705 7.671 0.034 18692 6733 1 17 . 1 1 4 4 PHE N N 4 124.380 124.380 121.076 3.304 18692 6734 1 17 . 1 1 4 4 PHE HA H 4 4.729 4.729 4.813 -0.084 18692 6735 1 17 . 1 1 4 4 PHE C C 4 176.180 176.180 174.103 2.077 18692 6736 1 17 . 1 1 4 4 PHE CA C 4 56.584 56.584 57.186 -0.602 18692 6737 1 17 . 1 1 4 4 PHE CB C 4 41.758 41.758 42.520 -0.762 18692 6738 1 17 . 1 1 4 4 PHE H H 4 8.913 8.913 9.515 -0.602 18692 6739 1 17 . 1 1 5 5 ASP N N 5 123.331 123.331 128.690 -5.359 18692 6740 1 17 . 1 1 5 5 ASP HA H 5 4.390 4.390 4.869 -0.479 18692 6741 1 17 . 1 1 5 5 ASP C C 5 177.524 177.524 175.846 1.678 18692 6742 1 17 . 1 1 5 5 ASP CA C 5 53.344 53.344 54.099 -0.755 18692 6743 1 17 . 1 1 5 5 ASP CB C 5 41.043 41.043 40.439 0.604 18692 6744 1 17 . 1 1 5 5 ASP H H 5 9.113 9.113 8.595 0.518 18692 6745 1 17 . 1 1 6 6 LEU N N 6 122.540 122.540 123.104 -0.564 18692 6746 1 17 . 1 1 6 6 LEU HA H 6 4.304 4.304 4.383 -0.079 18692 6747 1 17 . 1 1 6 6 LEU CA C 6 55.260 55.260 54.904 0.356 18692 6748 1 17 . 1 1 6 6 LEU CB C 6 42.680 42.680 41.723 0.957 18692 6749 1 17 . 1 1 6 6 LEU H H 6 8.305 8.305 8.498 -0.193 18692 6750 1 17 . 1 1 7 7 ARG N N 7 121.715 121.715 121.732 -0.017 18692 6751 1 17 . 1 1 7 7 ARG HA H 7 4.156 4.156 4.123 0.033 18692 6752 1 17 . 1 1 7 7 ARG C C 7 177.664 177.664 175.541 2.123 18692 6753 1 17 . 1 1 7 7 ARG CA C 7 56.463 56.463 61.524 -5.061 18692 6754 1 17 . 1 1 7 7 ARG CB C 7 29.315 29.315 28.150 1.165 18692 6755 1 17 . 1 1 7 7 ARG H H 7 8.293 8.293 7.776 0.517 18692 6756 1 17 . 1 1 8 8 PRO HA H 8 4.365 4.365 4.319 0.046 18692 6757 1 17 . 1 1 8 8 PRO C C 8 178.886 178.886 176.454 2.432 18692 6758 1 17 . 1 1 8 8 PRO CA C 8 65.193 65.193 63.720 1.473 18692 6759 1 17 . 1 1 8 8 PRO CB C 8 31.566 31.566 31.291 0.275 18692 6760 1 17 . 1 1 9 9 LEU N N 9 114.107 114.107 118.875 -4.768 18692 6761 1 17 . 1 1 9 9 LEU HA H 9 4.175 4.175 4.343 -0.168 18692 6762 1 17 . 1 1 9 9 LEU C C 9 178.897 178.897 175.769 3.128 18692 6763 1 17 . 1 1 9 9 LEU CA C 9 54.878 54.878 53.863 1.015 18692 6764 1 17 . 1 1 9 9 LEU CB C 9 41.222 41.222 41.756 -0.534 18692 6765 1 17 . 1 1 9 9 LEU H H 9 7.310 7.310 7.435 -0.125 18692 6766 1 17 . 1 1 10 10 LYS N N 10 116.563 116.563 116.380 0.183 18692 6767 1 17 . 1 1 10 10 LYS HA H 10 3.823 3.823 3.899 -0.076 18692 6768 1 17 . 1 1 10 10 LYS C C 10 178.805 178.805 174.871 3.934 18692 6769 1 17 . 1 1 10 10 LYS CA C 10 57.693 57.693 57.618 0.075 18692 6770 1 17 . 1 1 10 10 LYS CB C 10 34.124 34.124 31.020 3.104 18692 6771 1 17 . 1 1 10 10 LYS H H 10 8.132 8.132 7.324 0.808 18692 6772 1 17 . 1 1 11 11 ALA N N 11 124.134 124.134 122.844 1.290 18692 6773 1 17 . 1 1 11 11 ALA HA H 11 4.399 4.399 4.251 0.148 18692 6774 1 17 . 1 1 11 11 ALA C C 11 178.877 178.877 178.093 0.784 18692 6775 1 17 . 1 1 11 11 ALA CA C 11 53.292 53.292 51.521 1.771 18692 6776 1 17 . 1 1 11 11 ALA CB C 11 19.310 19.310 19.902 -0.592 18692 6777 1 17 . 1 1 11 11 ALA H H 11 8.239 8.239 8.079 0.160 18692 6778 1 17 . 1 1 12 12 GLY N N 12 108.661 108.661 109.950 -1.289 18692 6779 1 17 . 1 1 12 12 GLY C C 12 178.614 178.614 175.255 3.359 18692 6780 1 17 . 1 1 12 12 GLY CA C 12 47.640 47.640 46.028 1.613 18692 6781 1 17 . 1 1 12 12 GLY H H 12 8.186 8.186 9.173 -0.987 18692 6782 1 17 . 1 1 13 13 ILE N N 13 123.465 123.465 121.821 1.644 18692 6783 1 17 . 1 1 13 13 ILE HA H 13 4.150 4.150 4.236 -0.086 18692 6784 1 17 . 1 1 13 13 ILE C C 13 177.234 177.234 177.263 -0.029 18692 6785 1 17 . 1 1 13 13 ILE CA C 13 60.500 60.500 61.762 -1.262 18692 6786 1 17 . 1 1 13 13 ILE CB C 13 36.970 36.970 38.785 -1.815 18692 6787 1 17 . 1 1 13 13 ILE H H 13 8.309 8.309 7.435 0.874 18692 6788 1 17 . 1 1 14 14 PHE N N 14 119.560 119.560 120.407 -0.847 18692 6789 1 17 . 1 1 14 14 PHE HA H 14 3.354 3.354 4.170 -0.816 18692 6790 1 17 . 1 1 14 14 PHE C C 14 179.301 179.301 176.480 2.821 18692 6791 1 17 . 1 1 14 14 PHE CA C 14 63.883 63.883 61.159 2.724 18692 6792 1 17 . 1 1 14 14 PHE CB C 14 37.608 37.608 37.755 -0.147 18692 6793 1 17 . 1 1 14 14 PHE H H 14 7.801 7.801 8.443 -0.642 18692 6794 1 17 . 1 1 15 15 GLU N N 15 121.567 121.567 119.052 2.515 18692 6795 1 17 . 1 1 15 15 GLU HA H 15 4.260 4.260 3.419 0.841 18692 6796 1 17 . 1 1 15 15 GLU C C 15 181.428 181.428 176.835 4.593 18692 6797 1 17 . 1 1 15 15 GLU CA C 15 60.579 60.579 57.594 2.985 18692 6798 1 17 . 1 1 15 15 GLU CB C 15 28.158 28.158 28.545 -0.387 18692 6799 1 17 . 1 1 15 15 GLU H H 15 8.331 8.331 8.111 0.220 18692 6800 1 17 . 1 1 16 16 ARG N N 16 121.602 121.602 118.739 2.863 18692 6801 1 17 . 1 1 16 16 ARG HA H 16 4.104 4.104 3.872 0.232 18692 6802 1 17 . 1 1 16 16 ARG C C 16 179.418 179.418 178.733 0.685 18692 6803 1 17 . 1 1 16 16 ARG CA C 16 56.877 56.877 58.064 -1.187 18692 6804 1 17 . 1 1 16 16 ARG CB C 16 29.397 29.397 30.349 -0.952 18692 6805 1 17 . 1 1 16 16 ARG H H 16 8.240 8.240 7.403 0.837 18692 6806 1 17 . 1 1 17 17 LEU N N 17 119.769 119.769 119.992 -0.223 18692 6807 1 17 . 1 1 17 17 LEU HA H 17 3.619 3.619 4.147 -0.528 18692 6808 1 17 . 1 1 17 17 LEU C C 17 179.136 179.136 177.942 1.194 18692 6809 1 17 . 1 1 17 17 LEU CA C 17 59.104 59.104 56.240 2.864 18692 6810 1 17 . 1 1 17 17 LEU CB C 17 42.770 42.770 41.605 1.165 18692 6811 1 17 . 1 1 17 17 LEU H H 17 8.134 8.134 8.196 -0.062 18692 6812 1 17 . 1 1 18 18 GLU N N 18 115.547 115.547 118.549 -3.002 18692 6813 1 17 . 1 1 18 18 GLU HA H 18 3.889 3.889 3.372 0.517 18692 6814 1 17 . 1 1 18 18 GLU C C 18 179.643 179.643 178.213 1.430 18692 6815 1 17 . 1 1 18 18 GLU CA C 18 59.929 59.929 59.651 0.278 18692 6816 1 17 . 1 1 18 18 GLU CB C 18 29.170 29.170 28.961 0.209 18692 6817 1 17 . 1 1 18 18 GLU H H 18 7.674 7.674 7.577 0.097 18692 6818 1 17 . 1 1 19 19 GLU N N 19 119.211 119.211 118.520 0.691 18692 6819 1 17 . 1 1 19 19 GLU HA H 19 4.047 4.047 4.027 0.019 18692 6820 1 17 . 1 1 19 19 GLU C C 19 180.374 180.374 178.110 2.264 18692 6821 1 17 . 1 1 19 19 GLU CA C 19 59.441 59.441 58.173 1.268 18692 6822 1 17 . 1 1 19 19 GLU CB C 19 30.269 30.269 29.464 0.805 18692 6823 1 17 . 1 1 19 19 GLU H H 19 7.782 7.782 7.421 0.361 18692 6824 1 17 . 1 1 20 20 LEU N N 20 119.264 119.264 120.261 -0.997 18692 6825 1 17 . 1 1 20 20 LEU HA H 20 3.761 3.761 4.020 -0.259 18692 6826 1 17 . 1 1 20 20 LEU C C 20 181.666 181.666 179.145 2.521 18692 6827 1 17 . 1 1 20 20 LEU CA C 20 57.862 57.862 57.621 0.241 18692 6828 1 17 . 1 1 20 20 LEU CB C 20 42.111 42.111 42.245 -0.134 18692 6829 1 17 . 1 1 20 20 LEU H H 20 8.507 8.507 7.660 0.847 18692 6830 1 17 . 1 1 21 21 ILE N N 21 117.879 117.879 119.910 -2.031 18692 6831 1 17 . 1 1 21 21 ILE HA H 21 3.697 3.697 3.707 -0.010 18692 6832 1 17 . 1 1 21 21 ILE C C 21 181.696 181.696 176.753 4.943 18692 6833 1 17 . 1 1 21 21 ILE CA C 21 65.174 65.174 62.247 2.927 18692 6834 1 17 . 1 1 21 21 ILE CB C 21 38.420 38.420 37.409 1.011 18692 6835 1 17 . 1 1 21 21 ILE H H 21 7.750 7.750 7.289 0.461 18692 6836 1 17 . 1 1 22 22 GLU N N 22 116.656 116.656 119.695 -3.039 18692 6837 1 17 . 1 1 22 22 GLU HA H 22 3.891 3.891 3.909 -0.018 18692 6838 1 17 . 1 1 22 22 GLU C C 22 180.424 180.424 177.945 2.479 18692 6839 1 17 . 1 1 22 22 GLU CA C 22 59.864 59.864 59.542 0.322 18692 6840 1 17 . 1 1 22 22 GLU CB C 22 30.047 30.047 29.292 0.755 18692 6841 1 17 . 1 1 22 22 GLU H H 22 8.203 8.203 7.625 0.578 18692 6842 1 17 . 1 1 23 23 LYS N N 23 113.426 113.426 116.622 -3.196 18692 6843 1 17 . 1 1 23 23 LYS HA H 23 4.392 4.392 4.090 0.302 18692 6844 1 17 . 1 1 23 23 LYS C C 23 180.639 180.639 178.190 2.449 18692 6845 1 17 . 1 1 23 23 LYS CA C 23 57.952 57.952 58.750 -0.798 18692 6846 1 17 . 1 1 23 23 LYS CB C 23 34.655 34.655 32.410 2.244 18692 6847 1 17 . 1 1 23 23 LYS H H 23 8.713 8.713 7.476 1.237 18692 6848 1 17 . 1 1 24 24 GLU N N 24 115.943 115.943 118.069 -2.126 18692 6849 1 17 . 1 1 24 24 GLU HA H 24 4.730 4.730 4.203 0.527 18692 6850 1 17 . 1 1 24 24 GLU C C 24 177.407 177.407 177.277 0.130 18692 6851 1 17 . 1 1 24 24 GLU CA C 24 56.241 56.241 57.334 -1.093 18692 6852 1 17 . 1 1 24 24 GLU CB C 24 30.664 30.664 30.516 0.148 18692 6853 1 17 . 1 1 24 24 GLU H H 24 8.225 8.225 7.728 0.497 18692 6854 1 17 . 1 1 25 25 MET N N 25 115.075 115.075 118.552 -3.477 18692 6855 1 17 . 1 1 25 25 MET HA H 25 4.832 4.832 4.280 0.552 18692 6856 1 17 . 1 1 25 25 MET C C 25 177.286 177.286 175.794 1.492 18692 6857 1 17 . 1 1 25 25 MET CA C 25 55.022 55.022 55.067 -0.045 18692 6858 1 17 . 1 1 25 25 MET CB C 25 37.416 37.416 32.380 5.037 18692 6859 1 17 . 1 1 25 25 MET H H 25 6.860 6.860 7.410 -0.550 18692 6860 1 17 . 1 1 26 26 GLN N N 26 122.801 122.801 121.759 1.042 18692 6861 1 17 . 1 1 26 26 GLN HA H 26 4.345 4.345 4.269 0.075 18692 6862 1 17 . 1 1 26 26 GLN C C 26 175.718 175.718 176.243 -0.525 18692 6863 1 17 . 1 1 26 26 GLN CA C 26 52.909 52.909 56.818 -3.909 18692 6864 1 17 . 1 1 26 26 GLN CB C 26 28.417 28.417 28.989 -0.572 18692 6865 1 17 . 1 1 26 26 GLN H H 26 9.264 9.264 8.347 0.917 18692 6866 1 17 . 1 1 27 27 PRO HA H 27 3.915 3.915 4.328 -0.413 18692 6867 1 17 . 1 1 27 27 PRO C C 27 177.450 177.450 175.813 1.637 18692 6868 1 17 . 1 1 27 27 PRO CA C 27 64.908 64.908 64.675 0.233 18692 6869 1 17 . 1 1 27 27 PRO CB C 27 31.265 31.265 32.218 -0.953 18692 6870 1 17 . 1 1 28 28 ASN N N 28 118.995 118.995 113.791 5.204 18692 6871 1 17 . 1 1 28 28 ASN HA H 28 4.475 4.475 5.228 -0.753 18692 6872 1 17 . 1 1 28 28 ASN C C 28 179.421 179.421 174.080 5.341 18692 6873 1 17 . 1 1 28 28 ASN CA C 28 55.368 55.368 52.505 2.862 18692 6874 1 17 . 1 1 28 28 ASN CB C 28 38.967 38.967 39.617 -0.650 18692 6875 1 17 . 1 1 28 28 ASN H H 28 8.458 8.458 8.143 0.315 18692 6876 1 17 . 1 1 29 29 GLU N N 29 123.128 123.128 119.667 3.461 18692 6877 1 17 . 1 1 29 29 GLU HA H 29 4.291 4.291 4.620 -0.329 18692 6878 1 17 . 1 1 29 29 GLU C C 29 175.883 175.883 174.433 1.450 18692 6879 1 17 . 1 1 29 29 GLU CA C 29 56.876 56.876 54.243 2.633 18692 6880 1 17 . 1 1 29 29 GLU CB C 29 31.863 31.863 33.866 -2.003 18692 6881 1 17 . 1 1 29 29 GLU H H 29 8.294 8.294 7.594 0.700 18692 6882 1 17 . 1 1 30 30 VAL N N 30 123.635 123.635 120.729 2.906 18692 6883 1 17 . 1 1 30 30 VAL HA H 30 5.293 5.293 4.678 0.615 18692 6884 1 17 . 1 1 30 30 VAL C C 30 177.201 177.201 175.197 2.004 18692 6885 1 17 . 1 1 30 30 VAL CA C 30 60.562 60.562 61.421 -0.859 18692 6886 1 17 . 1 1 30 30 VAL CB C 30 33.419 33.419 34.101 -0.682 18692 6887 1 17 . 1 1 30 30 VAL H H 30 8.067 8.067 8.463 -0.396 18692 6888 1 17 . 1 1 31 31 ALA N N 31 127.391 127.391 129.743 -2.352 18692 6889 1 17 . 1 1 31 31 ALA HA H 31 4.919 4.919 5.052 -0.133 18692 6890 1 17 . 1 1 31 31 ALA C C 31 176.179 176.179 175.851 0.328 18692 6891 1 17 . 1 1 31 31 ALA CA C 31 51.470 51.470 50.103 1.367 18692 6892 1 17 . 1 1 31 31 ALA CB C 31 24.772 24.772 21.969 2.803 18692 6893 1 17 . 1 1 31 31 ALA H H 31 9.086 9.086 8.471 0.615 18692 6894 1 17 . 1 1 32 32 ILE N N 32 118.468 118.468 125.534 -7.066 18692 6895 1 17 . 1 1 32 32 ILE HA H 32 5.102 5.102 4.446 0.656 18692 6896 1 17 . 1 1 32 32 ILE C C 32 176.300 176.300 174.680 1.620 18692 6897 1 17 . 1 1 32 32 ILE CA C 32 59.604 59.604 60.557 -0.953 18692 6898 1 17 . 1 1 32 32 ILE CB C 32 41.416 41.416 39.141 2.275 18692 6899 1 17 . 1 1 32 32 ILE H H 32 8.175 8.175 8.073 0.102 18692 6900 1 17 . 1 1 33 33 PHE N N 33 123.926 123.926 127.665 -3.739 18692 6901 1 17 . 1 1 33 33 PHE HA H 33 5.407 5.407 5.566 -0.159 18692 6902 1 17 . 1 1 33 33 PHE C C 33 176.695 176.695 175.900 0.795 18692 6903 1 17 . 1 1 33 33 PHE CA C 33 56.627 56.627 55.092 1.536 18692 6904 1 17 . 1 1 33 33 PHE CB C 33 41.583 41.583 39.506 2.077 18692 6905 1 17 . 1 1 33 33 PHE H H 33 9.277 9.277 8.755 0.522 18692 6906 1 17 . 1 1 34 34 MET N N 34 120.519 120.519 124.705 -4.186 18692 6907 1 17 . 1 1 34 34 MET HA H 34 5.517 5.517 5.458 0.059 18692 6908 1 17 . 1 1 34 34 MET C C 34 177.123 177.123 174.980 2.143 18692 6909 1 17 . 1 1 34 34 MET CA C 34 53.515 53.515 55.673 -2.158 18692 6910 1 17 . 1 1 34 34 MET CB C 34 36.447 36.447 34.909 1.538 18692 6911 1 17 . 1 1 34 34 MET H H 34 8.606 8.606 8.530 0.076 18692 6912 1 17 . 1 1 35 35 PHE N N 35 118.119 118.119 120.389 -2.270 18692 6913 1 17 . 1 1 35 35 PHE HA H 35 4.642 4.642 5.131 -0.489 18692 6914 1 17 . 1 1 35 35 PHE C C 35 175.188 175.188 173.811 1.377 18692 6915 1 17 . 1 1 35 35 PHE CA C 35 56.100 56.100 55.569 0.531 18692 6916 1 17 . 1 1 35 35 PHE CB C 35 41.450 41.450 41.166 0.284 18692 6917 1 17 . 1 1 35 35 PHE H H 35 8.832 8.832 8.702 0.130 18692 6918 1 17 . 1 1 36 36 GLU N N 36 120.598 120.598 122.324 -1.726 18692 6919 1 17 . 1 1 36 36 GLU HA H 36 4.890 4.890 4.315 0.575 18692 6920 1 17 . 1 1 36 36 GLU C C 36 179.258 179.258 175.015 4.243 18692 6921 1 17 . 1 1 36 36 GLU CA C 36 57.184 57.184 55.954 1.230 18692 6922 1 17 . 1 1 36 36 GLU CB C 36 30.844 30.844 30.168 0.676 18692 6923 1 17 . 1 1 36 36 GLU H H 36 9.421 9.421 8.860 0.561 18692 6924 1 17 . 1 1 37 37 VAL N N 37 122.817 122.817 116.535 6.282 18692 6925 1 17 . 1 1 37 37 VAL HA H 37 4.230 4.230 4.305 -0.075 18692 6926 1 17 . 1 1 37 37 VAL C C 37 176.550 176.550 175.202 1.348 18692 6927 1 17 . 1 1 37 37 VAL CA C 37 65.923 65.923 60.509 5.414 18692 6928 1 17 . 1 1 37 37 VAL H H 37 9.005 9.005 7.278 1.727 18692 6929 1 17 . 1 1 38 38 GLY N N 38 109.660 109.660 107.498 2.162 18692 6930 1 17 . 1 1 38 38 GLY C C 38 173.860 173.860 173.658 0.202 18692 6931 1 17 . 1 1 38 38 GLY CA C 38 44.560 44.560 45.133 -0.573 18692 6932 1 17 . 1 1 38 38 GLY H H 38 8.440 8.440 8.114 0.326 18692 6933 1 17 . 1 1 39 39 ASP N N 39 119.440 119.440 119.689 -0.249 18692 6934 1 17 . 1 1 39 39 ASP HA H 39 4.910 4.910 4.762 0.148 18692 6935 1 17 . 1 1 39 39 ASP C C 39 177.550 177.550 177.470 0.080 18692 6936 1 17 . 1 1 39 39 ASP CA C 39 54.420 54.420 52.116 2.304 18692 6937 1 17 . 1 1 39 39 ASP CB C 39 37.150 37.150 42.351 -5.201 18692 6938 1 17 . 1 1 39 39 ASP H H 39 8.330 8.330 8.461 -0.131 18692 6939 1 17 . 1 1 40 40 PHE N N 40 123.361 123.361 119.650 3.711 18692 6940 1 17 . 1 1 40 40 PHE HA H 40 4.620 4.620 4.485 0.135 18692 6941 1 17 . 1 1 40 40 PHE CA C 40 56.250 56.250 59.506 -3.256 18692 6942 1 17 . 1 1 40 40 PHE CB C 40 36.150 36.150 38.759 -2.609 18692 6943 1 17 . 1 1 40 40 PHE H H 40 7.949 7.949 8.212 -0.263 18692 6944 1 17 . 1 1 41 41 SER N N 41 121.483 121.483 114.184 7.299 18692 6945 1 17 . 1 1 41 41 SER HA H 41 4.492 4.492 4.034 0.458 18692 6946 1 17 . 1 1 41 41 SER C C 41 174.554 174.554 175.546 -0.992 18692 6947 1 17 . 1 1 41 41 SER CA C 41 59.660 59.660 59.470 0.190 18692 6948 1 17 . 1 1 41 41 SER CB C 41 63.220 63.220 62.353 0.867 18692 6949 1 17 . 1 1 41 41 SER H H 41 8.519 8.519 7.303 1.216 18692 6950 1 17 . 1 1 42 42 ASN N N 42 118.920 118.920 118.435 0.485 18692 6951 1 17 . 1 1 42 42 ASN HA H 42 4.910 4.910 4.580 0.330 18692 6952 1 17 . 1 1 42 42 ASN CA C 42 53.490 53.490 55.673 -2.183 18692 6953 1 17 . 1 1 42 42 ASN CB C 42 38.120 38.120 39.055 -0.935 18692 6954 1 17 . 1 1 42 42 ASN H H 42 8.330 8.330 7.194 1.136 18692 6955 1 17 . 1 1 43 43 ILE N N 43 121.540 121.540 120.895 0.645 18692 6956 1 17 . 1 1 43 43 ILE HA H 43 4.180 4.180 3.809 0.371 18692 6957 1 17 . 1 1 43 43 ILE CA C 43 60.110 60.110 65.933 -5.823 18692 6958 1 17 . 1 1 43 43 ILE CB C 43 38.440 38.440 35.221 3.219 18692 6959 1 17 . 1 1 43 43 ILE H H 43 8.293 8.293 7.259 1.034 18692 6960 1 17 . 1 1 44 44 PRO HA H 44 4.461 4.461 4.324 0.137 18692 6961 1 17 . 1 1 44 44 PRO C C 44 176.465 176.465 178.605 -2.140 18692 6962 1 17 . 1 1 44 44 PRO CA C 44 65.358 65.358 65.199 0.159 18692 6963 1 17 . 1 1 44 44 PRO CB C 44 30.441 30.441 31.200 -0.759 18692 6964 1 17 . 1 1 45 45 LYS N N 45 116.236 116.236 117.918 -1.682 18692 6965 1 17 . 1 1 45 45 LYS HA H 45 4.128 4.128 4.082 0.046 18692 6966 1 17 . 1 1 45 45 LYS C C 45 181.467 181.467 178.171 3.296 18692 6967 1 17 . 1 1 45 45 LYS CA C 45 59.712 59.712 59.122 0.590 18692 6968 1 17 . 1 1 45 45 LYS CB C 45 33.281 33.281 32.165 1.116 18692 6969 1 17 . 1 1 45 45 LYS H H 45 7.270 7.270 8.049 -0.779 18692 6970 1 17 . 1 1 46 46 SER N N 46 116.059 116.059 115.705 0.354 18692 6971 1 17 . 1 1 46 46 SER HA H 46 4.080 4.080 4.241 -0.161 18692 6972 1 17 . 1 1 46 46 SER C C 46 177.432 177.432 176.789 0.643 18692 6973 1 17 . 1 1 46 46 SER CA C 46 63.202 63.202 60.664 2.538 18692 6974 1 17 . 1 1 46 46 SER CB C 46 62.118 62.118 63.053 -0.935 18692 6975 1 17 . 1 1 46 46 SER H H 46 8.293 8.293 7.423 0.870 18692 6976 1 17 . 1 1 47 47 ALA N N 47 126.579 126.579 124.187 2.392 18692 6977 1 17 . 1 1 47 47 ALA HA H 47 4.128 4.128 4.243 -0.115 18692 6978 1 17 . 1 1 47 47 ALA C C 47 181.528 181.528 178.213 3.315 18692 6979 1 17 . 1 1 47 47 ALA CA C 47 55.704 55.704 54.369 1.335 18692 6980 1 17 . 1 1 47 47 ALA CB C 47 18.326 18.326 18.187 0.139 18692 6981 1 17 . 1 1 47 47 ALA H H 47 6.990 6.990 7.740 -0.750 18692 6982 1 17 . 1 1 48 48 GLU N N 48 117.980 117.980 117.882 0.098 18692 6983 1 17 . 1 1 48 48 GLU HA H 48 4.062 4.062 3.408 0.654 18692 6984 1 17 . 1 1 48 48 GLU C C 48 180.822 180.822 178.520 2.302 18692 6985 1 17 . 1 1 48 48 GLU CA C 48 59.100 59.100 57.749 1.351 18692 6986 1 17 . 1 1 48 48 GLU CB C 48 29.770 29.770 29.386 0.384 18692 6987 1 17 . 1 1 48 48 GLU H H 48 7.863 7.863 7.410 0.453 18692 6988 1 17 . 1 1 49 49 PHE N N 49 122.179 122.179 118.834 3.345 18692 6989 1 17 . 1 1 49 49 PHE HA H 49 4.117 4.117 4.154 -0.037 18692 6990 1 17 . 1 1 49 49 PHE C C 49 179.580 179.580 177.026 2.554 18692 6991 1 17 . 1 1 49 49 PHE CA C 49 57.813 57.813 60.712 -2.899 18692 6992 1 17 . 1 1 49 49 PHE CB C 49 41.695 41.695 39.042 2.653 18692 6993 1 17 . 1 1 49 49 PHE H H 49 8.341 8.341 7.673 0.668 18692 6994 1 17 . 1 1 50 50 ILE N N 50 117.469 117.469 114.993 2.476 18692 6995 1 17 . 1 1 50 50 ILE HA H 50 3.533 3.533 3.988 -0.455 18692 6996 1 17 . 1 1 50 50 ILE C C 50 179.698 179.698 176.109 3.589 18692 6997 1 17 . 1 1 50 50 ILE CA C 50 62.884 62.884 61.982 0.902 18692 6998 1 17 . 1 1 50 50 ILE CB C 50 36.669 36.669 37.664 -0.995 18692 6999 1 17 . 1 1 50 50 ILE H H 50 8.322 8.322 7.287 1.035 18692 7000 1 17 . 1 1 51 51 GLN N N 51 117.190 117.190 116.928 0.262 18692 7001 1 17 . 1 1 51 51 GLN HA H 51 4.261 4.261 4.432 -0.171 18692 7002 1 17 . 1 1 51 51 GLN C C 51 182.627 182.627 175.565 7.062 18692 7003 1 17 . 1 1 51 51 GLN CA C 51 58.862 58.862 55.219 3.643 18692 7004 1 17 . 1 1 51 51 GLN CB C 51 28.451 28.451 31.215 -2.764 18692 7005 1 17 . 1 1 51 51 GLN H H 51 7.887 7.887 7.337 0.550 18692 7006 1 17 . 1 1 52 52 SER N N 52 117.670 117.670 117.907 -0.237 18692 7007 1 17 . 1 1 52 52 SER HA H 52 4.137 4.137 4.163 -0.026 18692 7008 1 17 . 1 1 52 52 SER CA C 52 61.401 61.401 60.737 0.664 18692 7009 1 17 . 1 1 52 52 SER CB C 52 62.615 62.615 63.502 -0.887 18692 7010 1 17 . 1 1 52 52 SER H H 52 8.556 8.556 8.708 -0.152 18692 7011 1 17 . 1 1 53 53 LYS N N 53 119.008 119.008 117.352 1.656 18692 7012 1 17 . 1 1 53 53 LYS HA H 53 4.170 4.170 4.400 -0.230 18692 7013 1 17 . 1 1 53 53 LYS C C 53 177.911 177.911 175.445 2.466 18692 7014 1 17 . 1 1 53 53 LYS CA C 53 54.662 54.662 55.823 -1.161 18692 7015 1 17 . 1 1 53 53 LYS CB C 53 32.652 32.652 34.286 -1.634 18692 7016 1 17 . 1 1 53 53 LYS H H 53 7.064 7.064 7.512 -0.448 18692 7017 1 17 . 1 1 54 54 GLY N N 54 105.188 105.188 109.946 -4.758 18692 7018 1 17 . 1 1 54 54 GLY C C 54 175.528 175.528 173.731 1.797 18692 7019 1 17 . 1 1 54 54 GLY CA C 54 45.118 45.118 45.022 0.096 18692 7020 1 17 . 1 1 54 54 GLY H H 54 7.548 7.548 8.696 -1.148 18692 7021 1 17 . 1 1 55 55 HIS N N 55 118.294 118.294 119.701 -1.407 18692 7022 1 17 . 1 1 55 55 HIS HA H 55 4.947 4.947 5.077 -0.130 18692 7023 1 17 . 1 1 55 55 HIS C C 55 175.240 175.240 173.709 1.531 18692 7024 1 17 . 1 1 55 55 HIS CA C 55 54.847 54.847 53.802 1.045 18692 7025 1 17 . 1 1 55 55 HIS CB C 55 31.315 31.315 30.157 1.158 18692 7026 1 17 . 1 1 55 55 HIS H H 55 6.998 6.998 7.997 -0.999 18692 7027 1 17 . 1 1 56 56 GLU N N 56 118.205 118.205 125.424 -7.219 18692 7028 1 17 . 1 1 56 56 GLU HA H 56 4.666 4.666 4.502 0.164 18692 7029 1 17 . 1 1 56 56 GLU C C 56 176.766 176.766 174.987 1.779 18692 7030 1 17 . 1 1 56 56 GLU CA C 56 55.162 55.162 54.666 0.496 18692 7031 1 17 . 1 1 56 56 GLU CB C 56 33.110 33.110 32.114 0.996 18692 7032 1 17 . 1 1 56 56 GLU H H 56 8.509 8.509 8.098 0.411 18692 7033 1 17 . 1 1 57 57 LEU N N 57 127.769 127.769 127.620 0.149 18692 7034 1 17 . 1 1 57 57 LEU HA H 57 4.786 4.786 4.644 0.142 18692 7035 1 17 . 1 1 57 57 LEU C C 57 177.854 177.854 177.551 0.303 18692 7036 1 17 . 1 1 57 57 LEU CA C 57 53.780 53.780 54.239 -0.459 18692 7037 1 17 . 1 1 57 57 LEU CB C 57 42.676 42.676 40.170 2.506 18692 7038 1 17 . 1 1 57 57 LEU H H 57 8.978 8.978 8.923 0.055 18692 7039 1 17 . 1 1 58 58 LEU N N 58 128.364 128.364 125.462 2.902 18692 7040 1 17 . 1 1 58 58 LEU HA H 58 4.402 4.402 4.052 0.350 18692 7041 1 17 . 1 1 58 58 LEU C C 58 179.469 179.469 177.879 1.590 18692 7042 1 17 . 1 1 58 58 LEU CA C 58 56.534 56.534 57.557 -1.023 18692 7043 1 17 . 1 1 58 58 LEU CB C 58 42.371 42.371 42.673 -0.302 18692 7044 1 17 . 1 1 58 58 LEU H H 58 9.128 9.128 8.015 1.113 18692 7045 1 17 . 1 1 59 59 ASN N N 59 113.622 113.622 116.033 -2.411 18692 7046 1 17 . 1 1 59 59 ASN HA H 59 4.918 4.918 4.857 0.061 18692 7047 1 17 . 1 1 59 59 ASN C C 59 175.560 175.560 174.429 1.131 18692 7048 1 17 . 1 1 59 59 ASN CA C 59 52.389 52.389 52.150 0.239 18692 7049 1 17 . 1 1 59 59 ASN CB C 59 41.887 41.887 39.054 2.833 18692 7050 1 17 . 1 1 59 59 ASN H H 59 7.574 7.574 7.685 -0.111 18692 7051 1 17 . 1 1 60 60 SER N N 60 118.134 118.134 121.499 -3.365 18692 7052 1 17 . 1 1 60 60 SER HA H 60 4.045 4.045 4.356 -0.311 18692 7053 1 17 . 1 1 60 60 SER CA C 60 56.925 56.925 59.059 -2.134 18692 7054 1 17 . 1 1 60 60 SER CB C 60 63.649 63.649 63.884 -0.235 18692 7055 1 17 . 1 1 60 60 SER H H 60 8.436 8.436 8.405 0.031 18692 7056 1 17 . 1 1 61 61 LEU N N 61 128.266 128.266 120.997 7.269 18692 7057 1 17 . 1 1 61 61 LEU HA H 61 4.219 4.219 4.628 -0.409 18692 7058 1 17 . 1 1 61 61 LEU CA C 61 55.106 55.106 55.886 -0.780 18692 7059 1 17 . 1 1 61 61 LEU CB C 61 44.577 44.577 42.540 2.037 18692 7060 1 17 . 1 1 61 61 LEU H H 61 8.725 8.725 8.143 0.582 18692 7061 1 17 . 1 1 62 62 ARG N N 62 122.383 122.383 124.770 -2.387 18692 7062 1 17 . 1 1 62 62 ARG HA H 62 4.312 4.312 4.265 0.047 18692 7063 1 17 . 1 1 62 62 ARG C C 62 176.560 176.560 175.049 1.511 18692 7064 1 17 . 1 1 62 62 ARG CA C 62 57.290 57.290 54.394 2.896 18692 7065 1 17 . 1 1 62 62 ARG CB C 62 30.828 30.828 28.509 2.319 18692 7066 1 17 . 1 1 62 62 ARG H H 62 7.303 7.303 8.775 -1.472 18692 7067 1 17 . 1 1 63 63 PHE N N 63 120.560 120.560 121.541 -0.981 18692 7068 1 17 . 1 1 63 63 PHE HA H 63 4.613 4.613 4.561 0.052 18692 7069 1 17 . 1 1 63 63 PHE CA C 63 61.377 61.377 57.988 3.389 18692 7070 1 17 . 1 1 63 63 PHE CB C 63 39.908 39.908 38.977 0.931 18692 7071 1 17 . 1 1 63 63 PHE H H 63 8.321 8.321 7.852 0.469 18692 7072 1 17 . 1 1 64 64 ASN N N 64 117.616 117.616 122.273 -4.657 18692 7073 1 17 . 1 1 64 64 ASN HA H 64 4.377 4.377 4.530 -0.153 18692 7074 1 17 . 1 1 64 64 ASN C C 64 176.642 176.642 174.843 1.799 18692 7075 1 17 . 1 1 64 64 ASN CA C 64 53.465 53.465 53.410 0.055 18692 7076 1 17 . 1 1 64 64 ASN CB C 64 37.450 37.450 39.810 -2.360 18692 7077 1 17 . 1 1 64 64 ASN H H 64 8.101 8.101 8.839 -0.738 18692 7078 1 17 . 1 1 65 65 GLN N N 65 115.548 115.548 118.760 -3.212 18692 7079 1 17 . 1 1 65 65 GLN HA H 65 4.275 4.275 4.409 -0.134 18692 7080 1 17 . 1 1 65 65 GLN C C 65 178.411 178.411 174.751 3.660 18692 7081 1 17 . 1 1 65 65 GLN CA C 65 59.127 59.127 56.090 3.037 18692 7082 1 17 . 1 1 65 65 GLN CB C 65 28.650 28.650 30.334 -1.684 18692 7083 1 17 . 1 1 65 65 GLN H H 65 8.330 8.330 8.473 -0.143 18692 7084 1 17 . 1 1 66 66 ALA N N 66 120.802 120.802 124.635 -3.833 18692 7085 1 17 . 1 1 66 66 ALA HA H 66 4.652 4.652 4.295 0.357 18692 7086 1 17 . 1 1 66 66 ALA C C 66 178.893 178.893 176.902 1.991 18692 7087 1 17 . 1 1 66 66 ALA CA C 66 52.751 52.751 52.117 0.634 18692 7088 1 17 . 1 1 66 66 ALA CB C 66 21.705 21.705 19.578 2.127 18692 7089 1 17 . 1 1 66 66 ALA H H 66 8.346 8.346 8.005 0.341 18692 7090 1 17 . 1 1 67 67 ASP N N 67 118.909 118.909 121.244 -2.335 18692 7091 1 17 . 1 1 67 67 ASP HA H 67 4.612 4.612 4.401 0.211 18692 7092 1 17 . 1 1 67 67 ASP C C 67 175.639 175.639 175.479 0.160 18692 7093 1 17 . 1 1 67 67 ASP CA C 67 54.726 54.726 54.427 0.299 18692 7094 1 17 . 1 1 67 67 ASP CB C 67 45.152 45.152 40.949 4.203 18692 7095 1 17 . 1 1 67 67 ASP H H 67 8.117 8.117 8.443 -0.326 18692 7096 1 17 . 1 1 68 68 TRP HA H 68 4.477 4.477 4.901 -0.424 18692 7097 1 17 . 1 1 68 68 TRP CA C 68 56.253 56.253 55.755 0.498 18692 7098 1 17 . 1 1 68 68 TRP CB C 68 33.719 33.719 33.570 0.149 18692 7099 1 17 . 1 1 68 68 TRP H H 68 8.310 8.310 7.493 0.817 18692 7100 1 17 . 1 1 69 69 THR N N 69 114.495 114.495 110.604 3.891 18692 7101 1 17 . 1 1 69 69 THR HA H 69 5.605 5.605 4.842 0.763 18692 7102 1 17 . 1 1 69 69 THR C C 69 176.005 176.005 173.404 2.601 18692 7103 1 17 . 1 1 69 69 THR CA C 69 58.855 58.855 61.029 -2.174 18692 7104 1 17 . 1 1 69 69 THR CB C 69 72.755 72.755 70.685 2.070 18692 7105 1 17 . 1 1 69 69 THR H H 69 7.985 7.985 8.333 -0.348 18692 7106 1 17 . 1 1 70 70 ILE N N 70 114.448 114.448 127.592 -13.144 18692 7107 1 17 . 1 1 70 70 ILE HA H 70 5.384 5.384 4.891 0.493 18692 7108 1 17 . 1 1 70 70 ILE C C 70 175.751 175.751 173.979 1.772 18692 7109 1 17 . 1 1 70 70 ILE CA C 70 59.637 59.637 58.634 1.003 18692 7110 1 17 . 1 1 70 70 ILE CB C 70 41.689 41.689 41.465 0.224 18692 7111 1 17 . 1 1 70 70 ILE H H 70 8.807 8.807 8.239 0.568 18692 7112 1 17 . 1 1 71 71 VAL N N 71 124.084 124.084 130.207 -6.123 18692 7113 1 17 . 1 1 71 71 VAL HA H 71 5.012 5.012 4.438 0.574 18692 7114 1 17 . 1 1 71 71 VAL C C 71 177.625 177.625 175.121 2.504 18692 7115 1 17 . 1 1 71 71 VAL CA C 71 61.647 61.647 60.994 0.653 18692 7116 1 17 . 1 1 71 71 VAL CB C 71 32.482 32.482 31.506 0.976 18692 7117 1 17 . 1 1 71 71 VAL H H 71 8.500 8.500 8.182 0.318 18692 7118 1 17 . 1 1 72 72 VAL N N 72 127.753 127.753 126.288 1.465 18692 7119 1 17 . 1 1 72 72 VAL HA H 72 5.147 5.147 4.528 0.619 18692 7120 1 17 . 1 1 72 72 VAL C C 72 175.444 175.444 174.798 0.646 18692 7121 1 17 . 1 1 72 72 VAL CA C 72 60.252 60.252 60.556 -0.304 18692 7122 1 17 . 1 1 72 72 VAL CB C 72 37.425 37.425 33.772 3.654 18692 7123 1 17 . 1 1 72 72 VAL H H 72 9.280 9.280 8.635 0.645 18692 7124 1 17 . 1 1 73 73 ARG N N 73 125.839 125.839 126.072 -0.233 18692 7125 1 17 . 1 1 73 73 ARG HA H 73 5.458 5.458 5.317 0.141 18692 7126 1 17 . 1 1 73 73 ARG C C 73 177.981 177.981 176.287 1.694 18692 7127 1 17 . 1 1 73 73 ARG CA C 73 53.788 53.788 53.827 -0.039 18692 7128 1 17 . 1 1 73 73 ARG CB C 73 33.855 33.855 31.243 2.612 18692 7129 1 17 . 1 1 73 73 ARG H H 73 9.194 9.194 8.469 0.725 18692 7130 1 17 . 1 1 74 74 LYS N N 74 129.522 129.522 125.389 4.133 18692 7131 1 17 . 1 1 74 74 LYS HA H 74 4.323 4.323 4.133 0.190 18692 7132 1 17 . 1 1 74 74 LYS C C 74 178.340 178.340 176.670 1.670 18692 7133 1 17 . 1 1 74 74 LYS CA C 74 55.983 55.983 58.183 -2.200 18692 7134 1 17 . 1 1 74 74 LYS CB C 74 33.103 33.103 33.234 -0.131 18692 7135 1 17 . 1 1 74 74 LYS H H 74 10.930 10.930 8.296 2.634 18692 7136 1 17 . 1 1 75 75 LYS N N 75 131.817 131.817 118.825 12.992 18692 7137 1 17 . 1 1 75 75 LYS HA H 75 4.489 4.489 4.524 -0.035 18692 7138 1 17 . 1 1 75 75 LYS CA C 75 55.927 55.927 56.686 -0.759 18692 7139 1 17 . 1 1 75 75 LYS CB C 75 29.730 29.730 33.605 -3.875 18692 7140 1 17 . 1 1 75 75 LYS H H 75 10.873 10.873 8.537 2.336 18692 7141 1 18 . 1 1 2 2 LYS N N 2 127.399 127.399 119.815 7.584 18692 7142 1 18 . 1 1 2 2 LYS HA H 2 3.954 3.954 4.729 -0.775 18692 7143 1 18 . 1 1 2 2 LYS C C 2 175.826 175.826 174.453 1.373 18692 7144 1 18 . 1 1 2 2 LYS CA C 2 57.475 57.475 55.802 1.673 18692 7145 1 18 . 1 1 2 2 LYS CB C 2 34.009 34.009 33.055 0.954 18692 7146 1 18 . 1 1 2 2 LYS H H 2 9.167 9.167 8.329 0.838 18692 7147 1 18 . 1 1 3 3 ARG N N 3 121.207 121.207 118.752 2.455 18692 7148 1 18 . 1 1 3 3 ARG HA H 3 4.797 4.797 4.776 0.021 18692 7149 1 18 . 1 1 3 3 ARG C C 3 176.719 176.719 174.192 2.527 18692 7150 1 18 . 1 1 3 3 ARG CA C 3 54.082 54.082 55.375 -1.293 18692 7151 1 18 . 1 1 3 3 ARG CB C 3 32.816 32.816 32.826 -0.010 18692 7152 1 18 . 1 1 3 3 ARG H H 3 7.705 7.705 7.827 -0.122 18692 7153 1 18 . 1 1 4 4 PHE N N 4 124.380 124.380 121.054 3.326 18692 7154 1 18 . 1 1 4 4 PHE HA H 4 4.729 4.729 4.860 -0.131 18692 7155 1 18 . 1 1 4 4 PHE C C 4 176.180 176.180 173.936 2.244 18692 7156 1 18 . 1 1 4 4 PHE CA C 4 56.584 56.584 57.332 -0.748 18692 7157 1 18 . 1 1 4 4 PHE CB C 4 41.758 41.758 42.934 -1.175 18692 7158 1 18 . 1 1 4 4 PHE H H 4 8.913 8.913 9.538 -0.625 18692 7159 1 18 . 1 1 5 5 ASP N N 5 123.331 123.331 127.769 -4.438 18692 7160 1 18 . 1 1 5 5 ASP HA H 5 4.390 4.390 4.828 -0.438 18692 7161 1 18 . 1 1 5 5 ASP C C 5 177.524 177.524 175.824 1.700 18692 7162 1 18 . 1 1 5 5 ASP CA C 5 53.344 53.344 54.504 -1.160 18692 7163 1 18 . 1 1 5 5 ASP CB C 5 41.043 41.043 40.930 0.113 18692 7164 1 18 . 1 1 5 5 ASP H H 5 9.113 9.113 8.577 0.536 18692 7165 1 18 . 1 1 6 6 LEU N N 6 122.540 122.540 124.976 -2.436 18692 7166 1 18 . 1 1 6 6 LEU HA H 6 4.304 4.304 4.477 -0.173 18692 7167 1 18 . 1 1 6 6 LEU CA C 6 55.260 55.260 54.259 1.001 18692 7168 1 18 . 1 1 6 6 LEU CB C 6 42.680 42.680 41.690 0.990 18692 7169 1 18 . 1 1 6 6 LEU H H 6 8.305 8.305 8.743 -0.438 18692 7170 1 18 . 1 1 7 7 ARG N N 7 121.715 121.715 122.124 -0.409 18692 7171 1 18 . 1 1 7 7 ARG HA H 7 4.156 4.156 4.112 0.044 18692 7172 1 18 . 1 1 7 7 ARG C C 7 177.664 177.664 175.797 1.867 18692 7173 1 18 . 1 1 7 7 ARG CA C 7 56.463 56.463 59.959 -3.496 18692 7174 1 18 . 1 1 7 7 ARG CB C 7 29.315 29.315 28.662 0.653 18692 7175 1 18 . 1 1 7 7 ARG H H 7 8.293 8.293 8.248 0.045 18692 7176 1 18 . 1 1 8 8 PRO HA H 8 4.365 4.365 4.331 0.034 18692 7177 1 18 . 1 1 8 8 PRO C C 8 178.886 178.886 176.635 2.251 18692 7178 1 18 . 1 1 8 8 PRO CA C 8 65.193 65.193 63.521 1.672 18692 7179 1 18 . 1 1 8 8 PRO CB C 8 31.566 31.566 31.710 -0.144 18692 7180 1 18 . 1 1 9 9 LEU N N 9 114.107 114.107 121.340 -7.233 18692 7181 1 18 . 1 1 9 9 LEU HA H 9 4.175 4.175 4.315 -0.140 18692 7182 1 18 . 1 1 9 9 LEU C C 9 178.897 178.897 176.342 2.555 18692 7183 1 18 . 1 1 9 9 LEU CA C 9 54.878 54.878 55.008 -0.131 18692 7184 1 18 . 1 1 9 9 LEU CB C 9 41.222 41.222 43.509 -2.287 18692 7185 1 18 . 1 1 9 9 LEU H H 9 7.310 7.310 7.154 0.156 18692 7186 1 18 . 1 1 10 10 LYS N N 10 116.563 116.563 121.083 -4.520 18692 7187 1 18 . 1 1 10 10 LYS HA H 10 3.823 3.823 4.316 -0.493 18692 7188 1 18 . 1 1 10 10 LYS C C 10 178.805 178.805 175.706 3.099 18692 7189 1 18 . 1 1 10 10 LYS CA C 10 57.693 57.693 55.011 2.682 18692 7190 1 18 . 1 1 10 10 LYS CB C 10 34.124 34.124 33.803 0.321 18692 7191 1 18 . 1 1 10 10 LYS H H 10 8.132 8.132 8.127 0.005 18692 7192 1 18 . 1 1 11 11 ALA N N 11 124.134 124.134 122.953 1.181 18692 7193 1 18 . 1 1 11 11 ALA HA H 11 4.399 4.399 3.914 0.485 18692 7194 1 18 . 1 1 11 11 ALA C C 11 178.877 178.877 178.302 0.575 18692 7195 1 18 . 1 1 11 11 ALA CA C 11 53.292 53.292 53.137 0.155 18692 7196 1 18 . 1 1 11 11 ALA CB C 11 19.310 19.310 18.491 0.820 18692 7197 1 18 . 1 1 11 11 ALA H H 11 8.239 8.239 8.270 -0.031 18692 7198 1 18 . 1 1 12 12 GLY N N 12 108.661 108.661 110.170 -1.509 18692 7199 1 18 . 1 1 12 12 GLY C C 12 178.614 178.614 174.843 3.771 18692 7200 1 18 . 1 1 12 12 GLY CA C 12 47.640 47.640 45.672 1.968 18692 7201 1 18 . 1 1 12 12 GLY H H 12 8.186 8.186 9.239 -1.053 18692 7202 1 18 . 1 1 13 13 ILE N N 13 123.465 123.465 122.062 1.403 18692 7203 1 18 . 1 1 13 13 ILE HA H 13 4.150 4.150 4.329 -0.179 18692 7204 1 18 . 1 1 13 13 ILE C C 13 177.234 177.234 177.197 0.037 18692 7205 1 18 . 1 1 13 13 ILE CA C 13 60.500 60.500 62.201 -1.701 18692 7206 1 18 . 1 1 13 13 ILE CB C 13 36.970 36.970 39.010 -2.040 18692 7207 1 18 . 1 1 13 13 ILE H H 13 8.309 8.309 7.369 0.940 18692 7208 1 18 . 1 1 14 14 PHE N N 14 119.560 119.560 120.200 -0.640 18692 7209 1 18 . 1 1 14 14 PHE HA H 14 3.354 3.354 4.156 -0.802 18692 7210 1 18 . 1 1 14 14 PHE C C 14 179.301 179.301 176.763 2.538 18692 7211 1 18 . 1 1 14 14 PHE CA C 14 63.883 63.883 61.282 2.601 18692 7212 1 18 . 1 1 14 14 PHE CB C 14 37.608 37.608 37.879 -0.271 18692 7213 1 18 . 1 1 14 14 PHE H H 14 7.801 7.801 8.084 -0.283 18692 7214 1 18 . 1 1 15 15 GLU N N 15 121.567 121.567 119.699 1.868 18692 7215 1 18 . 1 1 15 15 GLU HA H 15 4.260 4.260 3.465 0.795 18692 7216 1 18 . 1 1 15 15 GLU C C 15 181.428 181.428 177.586 3.842 18692 7217 1 18 . 1 1 15 15 GLU CA C 15 60.579 60.579 58.019 2.561 18692 7218 1 18 . 1 1 15 15 GLU CB C 15 28.158 28.158 28.824 -0.666 18692 7219 1 18 . 1 1 15 15 GLU H H 15 8.331 8.331 8.194 0.137 18692 7220 1 18 . 1 1 16 16 ARG N N 16 121.602 121.602 119.124 2.478 18692 7221 1 18 . 1 1 16 16 ARG HA H 16 4.104 4.104 3.753 0.351 18692 7222 1 18 . 1 1 16 16 ARG C C 16 179.418 179.418 178.877 0.541 18692 7223 1 18 . 1 1 16 16 ARG CA C 16 56.877 56.877 58.843 -1.966 18692 7224 1 18 . 1 1 16 16 ARG CB C 16 29.397 29.397 29.938 -0.541 18692 7225 1 18 . 1 1 16 16 ARG H H 16 8.240 8.240 7.118 1.122 18692 7226 1 18 . 1 1 17 17 LEU N N 17 119.769 119.769 120.098 -0.329 18692 7227 1 18 . 1 1 17 17 LEU HA H 17 3.619 3.619 4.113 -0.494 18692 7228 1 18 . 1 1 17 17 LEU C C 17 179.136 179.136 177.797 1.339 18692 7229 1 18 . 1 1 17 17 LEU CA C 17 59.104 59.104 56.636 2.468 18692 7230 1 18 . 1 1 17 17 LEU CB C 17 42.770 42.770 41.402 1.368 18692 7231 1 18 . 1 1 17 17 LEU H H 17 8.134 8.134 8.683 -0.549 18692 7232 1 18 . 1 1 18 18 GLU N N 18 115.547 115.547 117.979 -2.432 18692 7233 1 18 . 1 1 18 18 GLU HA H 18 3.889 3.889 3.308 0.581 18692 7234 1 18 . 1 1 18 18 GLU C C 18 179.643 179.643 178.060 1.583 18692 7235 1 18 . 1 1 18 18 GLU CA C 18 59.929 59.929 59.279 0.650 18692 7236 1 18 . 1 1 18 18 GLU CB C 18 29.170 29.170 28.954 0.216 18692 7237 1 18 . 1 1 18 18 GLU H H 18 7.674 7.674 7.581 0.093 18692 7238 1 18 . 1 1 19 19 GLU N N 19 119.211 119.211 118.612 0.599 18692 7239 1 18 . 1 1 19 19 GLU HA H 19 4.047 4.047 4.021 0.026 18692 7240 1 18 . 1 1 19 19 GLU C C 19 180.374 180.374 178.273 2.101 18692 7241 1 18 . 1 1 19 19 GLU CA C 19 59.441 59.441 58.200 1.241 18692 7242 1 18 . 1 1 19 19 GLU CB C 19 30.269 30.269 29.623 0.646 18692 7243 1 18 . 1 1 19 19 GLU H H 19 7.782 7.782 7.353 0.429 18692 7244 1 18 . 1 1 20 20 LEU N N 20 119.264 119.264 120.255 -0.991 18692 7245 1 18 . 1 1 20 20 LEU HA H 20 3.761 3.761 3.983 -0.222 18692 7246 1 18 . 1 1 20 20 LEU C C 20 181.666 181.666 179.046 2.620 18692 7247 1 18 . 1 1 20 20 LEU CA C 20 57.862 57.862 57.681 0.181 18692 7248 1 18 . 1 1 20 20 LEU CB C 20 42.111 42.111 42.090 0.021 18692 7249 1 18 . 1 1 20 20 LEU H H 20 8.507 8.507 7.486 1.021 18692 7250 1 18 . 1 1 21 21 ILE N N 21 117.879 117.879 118.807 -0.928 18692 7251 1 18 . 1 1 21 21 ILE HA H 21 3.697 3.697 3.795 -0.098 18692 7252 1 18 . 1 1 21 21 ILE C C 21 181.696 181.696 176.866 4.830 18692 7253 1 18 . 1 1 21 21 ILE CA C 21 65.174 65.174 62.090 3.084 18692 7254 1 18 . 1 1 21 21 ILE CB C 21 38.420 38.420 37.544 0.876 18692 7255 1 18 . 1 1 21 21 ILE H H 21 7.750 7.750 7.039 0.711 18692 7256 1 18 . 1 1 22 22 GLU N N 22 116.656 116.656 119.939 -3.283 18692 7257 1 18 . 1 1 22 22 GLU HA H 22 3.891 3.891 3.975 -0.084 18692 7258 1 18 . 1 1 22 22 GLU C C 22 180.424 180.424 177.946 2.478 18692 7259 1 18 . 1 1 22 22 GLU CA C 22 59.864 59.864 59.282 0.582 18692 7260 1 18 . 1 1 22 22 GLU CB C 22 30.047 30.047 29.126 0.921 18692 7261 1 18 . 1 1 22 22 GLU H H 22 8.203 8.203 7.530 0.673 18692 7262 1 18 . 1 1 23 23 LYS N N 23 113.426 113.426 116.399 -2.973 18692 7263 1 18 . 1 1 23 23 LYS HA H 23 4.392 4.392 4.083 0.309 18692 7264 1 18 . 1 1 23 23 LYS C C 23 180.639 180.639 177.900 2.739 18692 7265 1 18 . 1 1 23 23 LYS CA C 23 57.952 57.952 58.700 -0.748 18692 7266 1 18 . 1 1 23 23 LYS CB C 23 34.655 34.655 32.384 2.271 18692 7267 1 18 . 1 1 23 23 LYS H H 23 8.713 8.713 7.391 1.322 18692 7268 1 18 . 1 1 24 24 GLU N N 24 115.943 115.943 117.656 -1.713 18692 7269 1 18 . 1 1 24 24 GLU HA H 24 4.730 4.730 4.217 0.513 18692 7270 1 18 . 1 1 24 24 GLU C C 24 177.407 177.407 177.322 0.085 18692 7271 1 18 . 1 1 24 24 GLU CA C 24 56.241 56.241 57.126 -0.885 18692 7272 1 18 . 1 1 24 24 GLU CB C 24 30.664 30.664 30.575 0.089 18692 7273 1 18 . 1 1 24 24 GLU H H 24 8.225 8.225 7.694 0.531 18692 7274 1 18 . 1 1 25 25 MET N N 25 115.075 115.075 118.624 -3.549 18692 7275 1 18 . 1 1 25 25 MET HA H 25 4.832 4.832 4.263 0.569 18692 7276 1 18 . 1 1 25 25 MET C C 25 177.286 177.286 175.902 1.384 18692 7277 1 18 . 1 1 25 25 MET CA C 25 55.022 55.022 56.214 -1.192 18692 7278 1 18 . 1 1 25 25 MET CB C 25 37.416 37.416 33.046 4.370 18692 7279 1 18 . 1 1 25 25 MET H H 25 6.860 6.860 7.549 -0.689 18692 7280 1 18 . 1 1 26 26 GLN N N 26 122.801 122.801 120.870 1.931 18692 7281 1 18 . 1 1 26 26 GLN HA H 26 4.345 4.345 4.402 -0.057 18692 7282 1 18 . 1 1 26 26 GLN C C 26 175.718 175.718 176.042 -0.324 18692 7283 1 18 . 1 1 26 26 GLN CA C 26 52.909 52.909 55.436 -2.527 18692 7284 1 18 . 1 1 26 26 GLN CB C 26 28.417 28.417 29.061 -0.644 18692 7285 1 18 . 1 1 26 26 GLN H H 26 9.264 9.264 8.452 0.812 18692 7286 1 18 . 1 1 27 27 PRO HA H 27 3.915 3.915 4.358 -0.443 18692 7287 1 18 . 1 1 27 27 PRO C C 27 177.450 177.450 175.812 1.638 18692 7288 1 18 . 1 1 27 27 PRO CA C 27 64.908 64.908 64.889 0.019 18692 7289 1 18 . 1 1 27 27 PRO CB C 27 31.265 31.265 32.035 -0.770 18692 7290 1 18 . 1 1 28 28 ASN N N 28 118.995 118.995 113.400 5.595 18692 7291 1 18 . 1 1 28 28 ASN HA H 28 4.475 4.475 5.151 -0.676 18692 7292 1 18 . 1 1 28 28 ASN C C 28 179.421 179.421 174.139 5.282 18692 7293 1 18 . 1 1 28 28 ASN CA C 28 55.368 55.368 52.493 2.875 18692 7294 1 18 . 1 1 28 28 ASN CB C 28 38.967 38.967 40.170 -1.203 18692 7295 1 18 . 1 1 28 28 ASN H H 28 8.458 8.458 8.142 0.316 18692 7296 1 18 . 1 1 29 29 GLU N N 29 123.128 123.128 119.706 3.422 18692 7297 1 18 . 1 1 29 29 GLU HA H 29 4.291 4.291 4.605 -0.314 18692 7298 1 18 . 1 1 29 29 GLU C C 29 175.883 175.883 174.448 1.435 18692 7299 1 18 . 1 1 29 29 GLU CA C 29 56.876 56.876 54.816 2.060 18692 7300 1 18 . 1 1 29 29 GLU CB C 29 31.863 31.863 33.353 -1.490 18692 7301 1 18 . 1 1 29 29 GLU H H 29 8.294 8.294 7.840 0.454 18692 7302 1 18 . 1 1 30 30 VAL N N 30 123.635 123.635 120.053 3.582 18692 7303 1 18 . 1 1 30 30 VAL HA H 30 5.293 5.293 4.644 0.649 18692 7304 1 18 . 1 1 30 30 VAL C C 30 177.201 177.201 174.845 2.356 18692 7305 1 18 . 1 1 30 30 VAL CA C 30 60.562 60.562 60.277 0.285 18692 7306 1 18 . 1 1 30 30 VAL CB C 30 33.419 33.419 33.276 0.143 18692 7307 1 18 . 1 1 30 30 VAL H H 30 8.067 8.067 8.420 -0.353 18692 7308 1 18 . 1 1 31 31 ALA N N 31 127.391 127.391 130.477 -3.086 18692 7309 1 18 . 1 1 31 31 ALA HA H 31 4.919 4.919 4.991 -0.072 18692 7310 1 18 . 1 1 31 31 ALA C C 31 176.179 176.179 176.045 0.134 18692 7311 1 18 . 1 1 31 31 ALA CA C 31 51.470 51.470 50.015 1.455 18692 7312 1 18 . 1 1 31 31 ALA CB C 31 24.772 24.772 21.544 3.228 18692 7313 1 18 . 1 1 31 31 ALA H H 31 9.086 9.086 8.245 0.841 18692 7314 1 18 . 1 1 32 32 ILE N N 32 118.468 118.468 125.885 -7.417 18692 7315 1 18 . 1 1 32 32 ILE HA H 32 5.102 5.102 4.388 0.714 18692 7316 1 18 . 1 1 32 32 ILE C C 32 176.300 176.300 174.734 1.566 18692 7317 1 18 . 1 1 32 32 ILE CA C 32 59.604 59.604 60.850 -1.246 18692 7318 1 18 . 1 1 32 32 ILE CB C 32 41.416 41.416 38.878 2.538 18692 7319 1 18 . 1 1 32 32 ILE H H 32 8.175 8.175 7.976 0.199 18692 7320 1 18 . 1 1 33 33 PHE N N 33 123.926 123.926 127.876 -3.950 18692 7321 1 18 . 1 1 33 33 PHE HA H 33 5.407 5.407 5.566 -0.159 18692 7322 1 18 . 1 1 33 33 PHE C C 33 176.695 176.695 176.068 0.627 18692 7323 1 18 . 1 1 33 33 PHE CA C 33 56.627 56.627 54.985 1.642 18692 7324 1 18 . 1 1 33 33 PHE CB C 33 41.583 41.583 39.256 2.327 18692 7325 1 18 . 1 1 33 33 PHE H H 33 9.277 9.277 8.966 0.311 18692 7326 1 18 . 1 1 34 34 MET N N 34 120.519 120.519 124.437 -3.918 18692 7327 1 18 . 1 1 34 34 MET HA H 34 5.517 5.517 5.239 0.278 18692 7328 1 18 . 1 1 34 34 MET C C 34 177.123 177.123 175.292 1.831 18692 7329 1 18 . 1 1 34 34 MET CA C 34 53.515 53.515 55.935 -2.420 18692 7330 1 18 . 1 1 34 34 MET CB C 34 36.447 36.447 33.941 2.506 18692 7331 1 18 . 1 1 34 34 MET H H 34 8.606 8.606 8.823 -0.217 18692 7332 1 18 . 1 1 35 35 PHE N N 35 118.119 118.119 120.829 -2.710 18692 7333 1 18 . 1 1 35 35 PHE HA H 35 4.642 4.642 5.138 -0.496 18692 7334 1 18 . 1 1 35 35 PHE C C 35 175.188 175.188 173.587 1.601 18692 7335 1 18 . 1 1 35 35 PHE CA C 35 56.100 56.100 56.004 0.096 18692 7336 1 18 . 1 1 35 35 PHE CB C 35 41.450 41.450 41.487 -0.037 18692 7337 1 18 . 1 1 35 35 PHE H H 35 8.832 8.832 8.846 -0.014 18692 7338 1 18 . 1 1 36 36 GLU N N 36 120.598 120.598 121.660 -1.062 18692 7339 1 18 . 1 1 36 36 GLU HA H 36 4.890 4.890 4.382 0.508 18692 7340 1 18 . 1 1 36 36 GLU C C 36 179.258 179.258 175.216 4.042 18692 7341 1 18 . 1 1 36 36 GLU CA C 36 57.184 57.184 55.408 1.776 18692 7342 1 18 . 1 1 36 36 GLU CB C 36 30.844 30.844 30.392 0.452 18692 7343 1 18 . 1 1 36 36 GLU H H 36 9.421 9.421 8.821 0.600 18692 7344 1 18 . 1 1 37 37 VAL N N 37 122.817 122.817 119.852 2.965 18692 7345 1 18 . 1 1 37 37 VAL HA H 37 4.230 4.230 4.204 0.026 18692 7346 1 18 . 1 1 37 37 VAL C C 37 176.550 176.550 177.140 -0.590 18692 7347 1 18 . 1 1 37 37 VAL CA C 37 65.923 65.923 61.881 4.042 18692 7348 1 18 . 1 1 37 37 VAL H H 37 9.005 9.005 7.576 1.429 18692 7349 1 18 . 1 1 38 38 GLY N N 38 109.660 109.660 108.229 1.431 18692 7350 1 18 . 1 1 38 38 GLY C C 38 173.860 173.860 173.441 0.419 18692 7351 1 18 . 1 1 38 38 GLY CA C 38 44.560 44.560 45.086 -0.526 18692 7352 1 18 . 1 1 38 38 GLY H H 38 8.440 8.440 8.512 -0.072 18692 7353 1 18 . 1 1 39 39 ASP N N 39 119.440 119.440 120.420 -0.980 18692 7354 1 18 . 1 1 39 39 ASP HA H 39 4.910 4.910 4.280 0.630 18692 7355 1 18 . 1 1 39 39 ASP C C 39 177.550 177.550 175.600 1.950 18692 7356 1 18 . 1 1 39 39 ASP CA C 39 54.420 54.420 53.372 1.048 18692 7357 1 18 . 1 1 39 39 ASP CB C 39 37.150 37.150 39.183 -2.033 18692 7358 1 18 . 1 1 39 39 ASP H H 39 8.330 8.330 7.523 0.807 18692 7359 1 18 . 1 1 40 40 PHE N N 40 123.361 123.361 119.740 3.621 18692 7360 1 18 . 1 1 40 40 PHE HA H 40 4.620 4.620 4.371 0.249 18692 7361 1 18 . 1 1 40 40 PHE CA C 40 56.250 56.250 58.459 -2.209 18692 7362 1 18 . 1 1 40 40 PHE CB C 40 36.150 36.150 38.776 -2.626 18692 7363 1 18 . 1 1 40 40 PHE H H 40 7.949 7.949 6.304 1.645 18692 7364 1 18 . 1 1 41 41 SER N N 41 121.483 121.483 116.038 5.445 18692 7365 1 18 . 1 1 41 41 SER HA H 41 4.492 4.492 4.297 0.195 18692 7366 1 18 . 1 1 41 41 SER C C 41 174.554 174.554 175.910 -1.356 18692 7367 1 18 . 1 1 41 41 SER CA C 41 59.660 59.660 60.440 -0.780 18692 7368 1 18 . 1 1 41 41 SER CB C 41 63.220 63.220 62.918 0.302 18692 7369 1 18 . 1 1 41 41 SER H H 41 8.519 8.519 8.413 0.106 18692 7370 1 18 . 1 1 42 42 ASN N N 42 118.920 118.920 118.346 0.574 18692 7371 1 18 . 1 1 42 42 ASN HA H 42 4.910 4.910 4.698 0.212 18692 7372 1 18 . 1 1 42 42 ASN CA C 42 53.490 53.490 54.665 -1.175 18692 7373 1 18 . 1 1 42 42 ASN CB C 42 38.120 38.120 38.653 -0.533 18692 7374 1 18 . 1 1 42 42 ASN H H 42 8.330 8.330 8.211 0.119 18692 7375 1 18 . 1 1 43 43 ILE N N 43 121.540 121.540 121.588 -0.048 18692 7376 1 18 . 1 1 43 43 ILE HA H 43 4.180 4.180 3.851 0.329 18692 7377 1 18 . 1 1 43 43 ILE CA C 43 60.110 60.110 66.121 -6.011 18692 7378 1 18 . 1 1 43 43 ILE CB C 43 38.440 38.440 35.089 3.351 18692 7379 1 18 . 1 1 43 43 ILE H H 43 8.293 8.293 7.332 0.961 18692 7380 1 18 . 1 1 44 44 PRO HA H 44 4.461 4.461 4.421 0.040 18692 7381 1 18 . 1 1 44 44 PRO C C 44 176.465 176.465 178.285 -1.820 18692 7382 1 18 . 1 1 44 44 PRO CA C 44 65.358 65.358 64.928 0.430 18692 7383 1 18 . 1 1 44 44 PRO CB C 44 30.441 30.441 31.078 -0.638 18692 7384 1 18 . 1 1 45 45 LYS N N 45 116.236 116.236 119.099 -2.863 18692 7385 1 18 . 1 1 45 45 LYS HA H 45 4.128 4.128 4.122 0.006 18692 7386 1 18 . 1 1 45 45 LYS C C 45 181.467 181.467 178.477 2.990 18692 7387 1 18 . 1 1 45 45 LYS CA C 45 59.712 59.712 58.819 0.894 18692 7388 1 18 . 1 1 45 45 LYS CB C 45 33.281 33.281 32.504 0.777 18692 7389 1 18 . 1 1 45 45 LYS H H 45 7.270 7.270 7.925 -0.655 18692 7390 1 18 . 1 1 46 46 SER N N 46 116.059 116.059 115.997 0.062 18692 7391 1 18 . 1 1 46 46 SER HA H 46 4.080 4.080 4.209 -0.129 18692 7392 1 18 . 1 1 46 46 SER C C 46 177.432 177.432 176.872 0.560 18692 7393 1 18 . 1 1 46 46 SER CA C 46 63.202 63.202 61.307 1.895 18692 7394 1 18 . 1 1 46 46 SER CB C 46 62.118 62.118 62.770 -0.652 18692 7395 1 18 . 1 1 46 46 SER H H 46 8.293 8.293 7.681 0.612 18692 7396 1 18 . 1 1 47 47 ALA N N 47 126.579 126.579 123.791 2.788 18692 7397 1 18 . 1 1 47 47 ALA HA H 47 4.128 4.128 4.012 0.116 18692 7398 1 18 . 1 1 47 47 ALA C C 47 181.528 181.528 178.075 3.453 18692 7399 1 18 . 1 1 47 47 ALA CA C 47 55.704 55.704 54.752 0.952 18692 7400 1 18 . 1 1 47 47 ALA CB C 47 18.326 18.326 18.199 0.127 18692 7401 1 18 . 1 1 47 47 ALA H H 47 6.990 6.990 7.735 -0.745 18692 7402 1 18 . 1 1 48 48 GLU N N 48 117.980 117.980 117.361 0.619 18692 7403 1 18 . 1 1 48 48 GLU HA H 48 4.062 4.062 3.163 0.899 18692 7404 1 18 . 1 1 48 48 GLU C C 48 180.822 180.822 177.339 3.483 18692 7405 1 18 . 1 1 48 48 GLU CA C 48 59.100 59.100 57.533 1.567 18692 7406 1 18 . 1 1 48 48 GLU CB C 48 29.770 29.770 29.286 0.484 18692 7407 1 18 . 1 1 48 48 GLU H H 48 7.863 7.863 7.448 0.415 18692 7408 1 18 . 1 1 49 49 PHE N N 49 122.179 122.179 117.412 4.767 18692 7409 1 18 . 1 1 49 49 PHE HA H 49 4.117 4.117 4.186 -0.069 18692 7410 1 18 . 1 1 49 49 PHE C C 49 179.580 179.580 176.804 2.776 18692 7411 1 18 . 1 1 49 49 PHE CA C 49 57.813 57.813 60.381 -2.568 18692 7412 1 18 . 1 1 49 49 PHE CB C 49 41.695 41.695 39.145 2.550 18692 7413 1 18 . 1 1 49 49 PHE H H 49 8.341 8.341 7.714 0.627 18692 7414 1 18 . 1 1 50 50 ILE N N 50 117.469 117.469 116.394 1.075 18692 7415 1 18 . 1 1 50 50 ILE HA H 50 3.533 3.533 3.933 -0.400 18692 7416 1 18 . 1 1 50 50 ILE C C 50 179.698 179.698 176.473 3.225 18692 7417 1 18 . 1 1 50 50 ILE CA C 50 62.884 62.884 62.451 0.433 18692 7418 1 18 . 1 1 50 50 ILE CB C 50 36.669 36.669 37.932 -1.263 18692 7419 1 18 . 1 1 50 50 ILE H H 50 8.322 8.322 7.310 1.012 18692 7420 1 18 . 1 1 51 51 GLN N N 51 117.190 117.190 117.650 -0.460 18692 7421 1 18 . 1 1 51 51 GLN HA H 51 4.261 4.261 4.523 -0.262 18692 7422 1 18 . 1 1 51 51 GLN C C 51 182.627 182.627 175.828 6.799 18692 7423 1 18 . 1 1 51 51 GLN CA C 51 58.862 58.862 54.908 3.954 18692 7424 1 18 . 1 1 51 51 GLN CB C 51 28.451 28.451 31.332 -2.881 18692 7425 1 18 . 1 1 51 51 GLN H H 51 7.887 7.887 7.727 0.160 18692 7426 1 18 . 1 1 52 52 SER N N 52 117.670 117.670 120.744 -3.074 18692 7427 1 18 . 1 1 52 52 SER HA H 52 4.137 4.137 4.232 -0.095 18692 7428 1 18 . 1 1 52 52 SER CA C 52 61.401 61.401 61.045 0.356 18692 7429 1 18 . 1 1 52 52 SER CB C 52 62.615 62.615 63.461 -0.846 18692 7430 1 18 . 1 1 52 52 SER H H 52 8.556 8.556 8.773 -0.217 18692 7431 1 18 . 1 1 53 53 LYS N N 53 119.008 119.008 119.864 -0.856 18692 7432 1 18 . 1 1 53 53 LYS HA H 53 4.170 4.170 4.383 -0.213 18692 7433 1 18 . 1 1 53 53 LYS C C 53 177.911 177.911 175.286 2.625 18692 7434 1 18 . 1 1 53 53 LYS CA C 53 54.662 54.662 56.008 -1.346 18692 7435 1 18 . 1 1 53 53 LYS CB C 53 32.652 32.652 33.025 -0.373 18692 7436 1 18 . 1 1 53 53 LYS H H 53 7.064 7.064 7.804 -0.740 18692 7437 1 18 . 1 1 54 54 GLY N N 54 105.188 105.188 111.386 -6.198 18692 7438 1 18 . 1 1 54 54 GLY C C 54 175.528 175.528 173.620 1.908 18692 7439 1 18 . 1 1 54 54 GLY CA C 54 45.118 45.118 45.648 -0.530 18692 7440 1 18 . 1 1 54 54 GLY H H 54 7.548 7.548 8.551 -1.003 18692 7441 1 18 . 1 1 55 55 HIS N N 55 118.294 118.294 122.121 -3.827 18692 7442 1 18 . 1 1 55 55 HIS HA H 55 4.947 4.947 4.655 0.292 18692 7443 1 18 . 1 1 55 55 HIS C C 55 175.240 175.240 174.194 1.046 18692 7444 1 18 . 1 1 55 55 HIS CA C 55 54.847 54.847 55.511 -0.664 18692 7445 1 18 . 1 1 55 55 HIS CB C 55 31.315 31.315 29.162 2.153 18692 7446 1 18 . 1 1 55 55 HIS H H 55 6.998 6.998 8.102 -1.104 18692 7447 1 18 . 1 1 56 56 GLU N N 56 118.205 118.205 125.945 -7.740 18692 7448 1 18 . 1 1 56 56 GLU HA H 56 4.666 4.666 4.450 0.216 18692 7449 1 18 . 1 1 56 56 GLU C C 56 176.766 176.766 174.895 1.871 18692 7450 1 18 . 1 1 56 56 GLU CA C 56 55.162 55.162 54.990 0.172 18692 7451 1 18 . 1 1 56 56 GLU CB C 56 33.110 33.110 32.339 0.771 18692 7452 1 18 . 1 1 56 56 GLU H H 56 8.509 8.509 8.128 0.381 18692 7453 1 18 . 1 1 57 57 LEU N N 57 127.769 127.769 127.131 0.638 18692 7454 1 18 . 1 1 57 57 LEU HA H 57 4.786 4.786 4.733 0.053 18692 7455 1 18 . 1 1 57 57 LEU C C 57 177.854 177.854 177.784 0.070 18692 7456 1 18 . 1 1 57 57 LEU CA C 57 53.780 53.780 53.903 -0.123 18692 7457 1 18 . 1 1 57 57 LEU CB C 57 42.676 42.676 40.365 2.311 18692 7458 1 18 . 1 1 57 57 LEU H H 57 8.978 8.978 8.795 0.183 18692 7459 1 18 . 1 1 58 58 LEU N N 58 128.364 128.364 125.601 2.763 18692 7460 1 18 . 1 1 58 58 LEU HA H 58 4.402 4.402 4.021 0.381 18692 7461 1 18 . 1 1 58 58 LEU C C 58 179.469 179.469 177.289 2.180 18692 7462 1 18 . 1 1 58 58 LEU CA C 58 56.534 56.534 57.490 -0.956 18692 7463 1 18 . 1 1 58 58 LEU CB C 58 42.371 42.371 42.585 -0.214 18692 7464 1 18 . 1 1 58 58 LEU H H 58 9.128 9.128 8.112 1.016 18692 7465 1 18 . 1 1 59 59 ASN N N 59 113.622 113.622 115.611 -1.989 18692 7466 1 18 . 1 1 59 59 ASN HA H 59 4.918 4.918 4.869 0.049 18692 7467 1 18 . 1 1 59 59 ASN C C 59 175.560 175.560 174.085 1.475 18692 7468 1 18 . 1 1 59 59 ASN CA C 59 52.389 52.389 52.221 0.168 18692 7469 1 18 . 1 1 59 59 ASN CB C 59 41.887 41.887 39.982 1.905 18692 7470 1 18 . 1 1 59 59 ASN H H 59 7.574 7.574 8.070 -0.496 18692 7471 1 18 . 1 1 60 60 SER N N 60 118.134 118.134 119.217 -1.083 18692 7472 1 18 . 1 1 60 60 SER HA H 60 4.045 4.045 4.315 -0.270 18692 7473 1 18 . 1 1 60 60 SER CA C 60 56.925 56.925 58.343 -1.419 18692 7474 1 18 . 1 1 60 60 SER CB C 60 63.649 63.649 63.931 -0.282 18692 7475 1 18 . 1 1 60 60 SER H H 60 8.436 8.436 8.529 -0.093 18692 7476 1 18 . 1 1 61 61 LEU N N 61 128.266 128.266 121.914 6.352 18692 7477 1 18 . 1 1 61 61 LEU HA H 61 4.219 4.219 4.591 -0.372 18692 7478 1 18 . 1 1 61 61 LEU CA C 61 55.106 55.106 55.797 -0.691 18692 7479 1 18 . 1 1 61 61 LEU CB C 61 44.577 44.577 42.330 2.247 18692 7480 1 18 . 1 1 61 61 LEU H H 61 8.725 8.725 8.187 0.538 18692 7481 1 18 . 1 1 62 62 ARG N N 62 122.383 122.383 125.053 -2.670 18692 7482 1 18 . 1 1 62 62 ARG HA H 62 4.312 4.312 4.180 0.132 18692 7483 1 18 . 1 1 62 62 ARG C C 62 176.560 176.560 175.908 0.652 18692 7484 1 18 . 1 1 62 62 ARG CA C 62 57.290 57.290 54.315 2.975 18692 7485 1 18 . 1 1 62 62 ARG CB C 62 30.828 30.828 27.867 2.961 18692 7486 1 18 . 1 1 62 62 ARG H H 62 7.303 7.303 9.160 -1.857 18692 7487 1 18 . 1 1 63 63 PHE N N 63 120.560 120.560 121.433 -0.873 18692 7488 1 18 . 1 1 63 63 PHE HA H 63 4.613 4.613 4.218 0.395 18692 7489 1 18 . 1 1 63 63 PHE CA C 63 61.377 61.377 59.616 1.761 18692 7490 1 18 . 1 1 63 63 PHE CB C 63 39.908 39.908 38.346 1.562 18692 7491 1 18 . 1 1 63 63 PHE H H 63 8.321 8.321 7.763 0.558 18692 7492 1 18 . 1 1 64 64 ASN N N 64 117.616 117.616 115.990 1.626 18692 7493 1 18 . 1 1 64 64 ASN HA H 64 4.377 4.377 3.387 0.990 18692 7494 1 18 . 1 1 64 64 ASN C C 64 176.642 176.642 175.688 0.954 18692 7495 1 18 . 1 1 64 64 ASN CA C 64 53.465 53.465 54.532 -1.067 18692 7496 1 18 . 1 1 64 64 ASN CB C 64 37.450 37.450 37.695 -0.245 18692 7497 1 18 . 1 1 64 64 ASN H H 64 8.101 8.101 7.858 0.243 18692 7498 1 18 . 1 1 65 65 GLN N N 65 115.548 115.548 117.151 -1.603 18692 7499 1 18 . 1 1 65 65 GLN HA H 65 4.275 4.275 4.395 -0.120 18692 7500 1 18 . 1 1 65 65 GLN C C 65 178.411 178.411 174.669 3.742 18692 7501 1 18 . 1 1 65 65 GLN CA C 65 59.127 59.127 54.680 4.447 18692 7502 1 18 . 1 1 65 65 GLN CB C 65 28.650 28.650 30.439 -1.789 18692 7503 1 18 . 1 1 65 65 GLN H H 65 8.330 8.330 7.350 0.980 18692 7504 1 18 . 1 1 66 66 ALA N N 66 120.802 120.802 122.919 -2.117 18692 7505 1 18 . 1 1 66 66 ALA HA H 66 4.652 4.652 4.199 0.453 18692 7506 1 18 . 1 1 66 66 ALA C C 66 178.893 178.893 177.714 1.179 18692 7507 1 18 . 1 1 66 66 ALA CA C 66 52.751 52.751 52.933 -0.182 18692 7508 1 18 . 1 1 66 66 ALA CB C 66 21.705 21.705 19.233 2.472 18692 7509 1 18 . 1 1 66 66 ALA H H 66 8.346 8.346 8.314 0.032 18692 7510 1 18 . 1 1 67 67 ASP N N 67 118.909 118.909 118.458 0.451 18692 7511 1 18 . 1 1 67 67 ASP HA H 67 4.612 4.612 4.257 0.355 18692 7512 1 18 . 1 1 67 67 ASP C C 67 175.639 175.639 175.242 0.397 18692 7513 1 18 . 1 1 67 67 ASP CA C 67 54.726 54.726 55.261 -0.535 18692 7514 1 18 . 1 1 67 67 ASP CB C 67 45.152 45.152 39.934 5.218 18692 7515 1 18 . 1 1 67 67 ASP H H 67 8.117 8.117 8.414 -0.297 18692 7516 1 18 . 1 1 68 68 TRP HA H 68 4.477 4.477 4.835 -0.358 18692 7517 1 18 . 1 1 68 68 TRP CA C 68 56.253 56.253 55.812 0.441 18692 7518 1 18 . 1 1 68 68 TRP CB C 68 33.719 33.719 33.603 0.116 18692 7519 1 18 . 1 1 68 68 TRP H H 68 8.310 8.310 7.745 0.565 18692 7520 1 18 . 1 1 69 69 THR N N 69 114.495 114.495 110.618 3.877 18692 7521 1 18 . 1 1 69 69 THR HA H 69 5.605 5.605 4.647 0.958 18692 7522 1 18 . 1 1 69 69 THR C C 69 176.005 176.005 173.096 2.909 18692 7523 1 18 . 1 1 69 69 THR CA C 69 58.855 58.855 60.624 -1.769 18692 7524 1 18 . 1 1 69 69 THR CB C 69 72.755 72.755 70.905 1.850 18692 7525 1 18 . 1 1 69 69 THR H H 69 7.985 7.985 8.068 -0.083 18692 7526 1 18 . 1 1 70 70 ILE N N 70 114.448 114.448 126.224 -11.776 18692 7527 1 18 . 1 1 70 70 ILE HA H 70 5.384 5.384 4.722 0.662 18692 7528 1 18 . 1 1 70 70 ILE C C 70 175.751 175.751 173.917 1.834 18692 7529 1 18 . 1 1 70 70 ILE CA C 70 59.637 59.637 58.888 0.749 18692 7530 1 18 . 1 1 70 70 ILE CB C 70 41.689 41.689 42.169 -0.480 18692 7531 1 18 . 1 1 70 70 ILE H H 70 8.807 8.807 8.023 0.784 18692 7532 1 18 . 1 1 71 71 VAL N N 71 124.084 124.084 126.487 -2.403 18692 7533 1 18 . 1 1 71 71 VAL HA H 71 5.012 5.012 4.731 0.281 18692 7534 1 18 . 1 1 71 71 VAL C C 71 177.625 177.625 174.679 2.946 18692 7535 1 18 . 1 1 71 71 VAL CA C 71 61.647 61.647 60.748 0.899 18692 7536 1 18 . 1 1 71 71 VAL CB C 71 32.482 32.482 32.659 -0.177 18692 7537 1 18 . 1 1 71 71 VAL H H 71 8.500 8.500 8.469 0.031 18692 7538 1 18 . 1 1 72 72 VAL N N 72 127.753 127.753 123.835 3.918 18692 7539 1 18 . 1 1 72 72 VAL HA H 72 5.147 5.147 4.451 0.696 18692 7540 1 18 . 1 1 72 72 VAL C C 72 175.444 175.444 175.128 0.316 18692 7541 1 18 . 1 1 72 72 VAL CA C 72 60.252 60.252 60.467 -0.215 18692 7542 1 18 . 1 1 72 72 VAL CB C 72 37.425 37.425 33.791 3.634 18692 7543 1 18 . 1 1 72 72 VAL H H 72 9.280 9.280 8.335 0.945 18692 7544 1 18 . 1 1 73 73 ARG N N 73 125.839 125.839 126.534 -0.695 18692 7545 1 18 . 1 1 73 73 ARG HA H 73 5.458 5.458 5.137 0.321 18692 7546 1 18 . 1 1 73 73 ARG C C 73 177.981 177.981 176.246 1.735 18692 7547 1 18 . 1 1 73 73 ARG CA C 73 53.788 53.788 54.154 -0.366 18692 7548 1 18 . 1 1 73 73 ARG CB C 73 33.855 33.855 30.860 2.995 18692 7549 1 18 . 1 1 73 73 ARG H H 73 9.194 9.194 8.341 0.853 18692 7550 1 18 . 1 1 74 74 LYS N N 74 129.522 129.522 125.412 4.110 18692 7551 1 18 . 1 1 74 74 LYS HA H 74 4.323 4.323 4.136 0.187 18692 7552 1 18 . 1 1 74 74 LYS C C 74 178.340 178.340 176.605 1.735 18692 7553 1 18 . 1 1 74 74 LYS CA C 74 55.983 55.983 57.802 -1.819 18692 7554 1 18 . 1 1 74 74 LYS CB C 74 33.103 33.103 33.332 -0.229 18692 7555 1 18 . 1 1 74 74 LYS H H 74 10.930 10.930 8.404 2.526 18692 7556 1 18 . 1 1 75 75 LYS N N 75 131.817 131.817 119.581 12.236 18692 7557 1 18 . 1 1 75 75 LYS HA H 75 4.489 4.489 4.460 0.029 18692 7558 1 18 . 1 1 75 75 LYS CA C 75 55.927 55.927 56.734 -0.807 18692 7559 1 18 . 1 1 75 75 LYS CB C 75 29.730 29.730 33.429 -3.699 18692 7560 1 18 . 1 1 75 75 LYS H H 75 10.873 10.873 8.546 2.327 18692 7561 1 19 . 1 1 2 2 LYS N N 2 127.399 127.399 120.555 6.844 18692 7562 1 19 . 1 1 2 2 LYS HA H 2 3.954 3.954 4.716 -0.762 18692 7563 1 19 . 1 1 2 2 LYS C C 2 175.826 175.826 175.166 0.660 18692 7564 1 19 . 1 1 2 2 LYS CA C 2 57.475 57.475 55.804 1.671 18692 7565 1 19 . 1 1 2 2 LYS CB C 2 34.009 34.009 33.033 0.976 18692 7566 1 19 . 1 1 2 2 LYS H H 2 9.167 9.167 8.395 0.772 18692 7567 1 19 . 1 1 3 3 ARG N N 3 121.207 121.207 118.303 2.904 18692 7568 1 19 . 1 1 3 3 ARG HA H 3 4.797 4.797 4.749 0.048 18692 7569 1 19 . 1 1 3 3 ARG C C 3 176.719 176.719 174.186 2.533 18692 7570 1 19 . 1 1 3 3 ARG CA C 3 54.082 54.082 55.237 -1.155 18692 7571 1 19 . 1 1 3 3 ARG CB C 3 32.816 32.816 32.810 0.006 18692 7572 1 19 . 1 1 3 3 ARG H H 3 7.705 7.705 7.706 -0.001 18692 7573 1 19 . 1 1 4 4 PHE N N 4 124.380 124.380 121.270 3.110 18692 7574 1 19 . 1 1 4 4 PHE HA H 4 4.729 4.729 4.811 -0.082 18692 7575 1 19 . 1 1 4 4 PHE C C 4 176.180 176.180 174.122 2.058 18692 7576 1 19 . 1 1 4 4 PHE CA C 4 56.584 56.584 56.912 -0.328 18692 7577 1 19 . 1 1 4 4 PHE CB C 4 41.758 41.758 42.389 -0.631 18692 7578 1 19 . 1 1 4 4 PHE H H 4 8.913 8.913 9.428 -0.515 18692 7579 1 19 . 1 1 5 5 ASP N N 5 123.331 123.331 128.624 -5.293 18692 7580 1 19 . 1 1 5 5 ASP HA H 5 4.390 4.390 4.916 -0.526 18692 7581 1 19 . 1 1 5 5 ASP C C 5 177.524 177.524 175.787 1.737 18692 7582 1 19 . 1 1 5 5 ASP CA C 5 53.344 53.344 54.125 -0.781 18692 7583 1 19 . 1 1 5 5 ASP CB C 5 41.043 41.043 40.938 0.105 18692 7584 1 19 . 1 1 5 5 ASP H H 5 9.113 9.113 8.662 0.451 18692 7585 1 19 . 1 1 6 6 LEU N N 6 122.540 122.540 124.097 -1.557 18692 7586 1 19 . 1 1 6 6 LEU HA H 6 4.304 4.304 4.434 -0.130 18692 7587 1 19 . 1 1 6 6 LEU CA C 6 55.260 55.260 54.673 0.587 18692 7588 1 19 . 1 1 6 6 LEU CB C 6 42.680 42.680 41.519 1.161 18692 7589 1 19 . 1 1 6 6 LEU H H 6 8.305 8.305 8.918 -0.613 18692 7590 1 19 . 1 1 7 7 ARG N N 7 121.715 121.715 122.116 -0.401 18692 7591 1 19 . 1 1 7 7 ARG HA H 7 4.156 4.156 4.060 0.096 18692 7592 1 19 . 1 1 7 7 ARG C C 7 177.664 177.664 175.394 2.270 18692 7593 1 19 . 1 1 7 7 ARG CA C 7 56.463 56.463 60.528 -4.065 18692 7594 1 19 . 1 1 7 7 ARG CB C 7 29.315 29.315 28.529 0.786 18692 7595 1 19 . 1 1 7 7 ARG H H 7 8.293 8.293 7.949 0.344 18692 7596 1 19 . 1 1 8 8 PRO HA H 8 4.365 4.365 4.333 0.032 18692 7597 1 19 . 1 1 8 8 PRO C C 8 178.886 178.886 176.399 2.487 18692 7598 1 19 . 1 1 8 8 PRO CA C 8 65.193 65.193 63.215 1.978 18692 7599 1 19 . 1 1 8 8 PRO CB C 8 31.566 31.566 31.663 -0.097 18692 7600 1 19 . 1 1 9 9 LEU N N 9 114.107 114.107 119.653 -5.546 18692 7601 1 19 . 1 1 9 9 LEU HA H 9 4.175 4.175 4.335 -0.160 18692 7602 1 19 . 1 1 9 9 LEU C C 9 178.897 178.897 176.241 2.656 18692 7603 1 19 . 1 1 9 9 LEU CA C 9 54.878 54.878 54.358 0.520 18692 7604 1 19 . 1 1 9 9 LEU CB C 9 41.222 41.222 43.675 -2.453 18692 7605 1 19 . 1 1 9 9 LEU H H 9 7.310 7.310 7.329 -0.019 18692 7606 1 19 . 1 1 10 10 LYS N N 10 116.563 116.563 118.634 -2.071 18692 7607 1 19 . 1 1 10 10 LYS HA H 10 3.823 3.823 4.449 -0.626 18692 7608 1 19 . 1 1 10 10 LYS C C 10 178.805 178.805 175.833 2.972 18692 7609 1 19 . 1 1 10 10 LYS CA C 10 57.693 57.693 54.623 3.070 18692 7610 1 19 . 1 1 10 10 LYS CB C 10 34.124 34.124 34.417 -0.293 18692 7611 1 19 . 1 1 10 10 LYS H H 10 8.132 8.132 8.229 -0.097 18692 7612 1 19 . 1 1 11 11 ALA N N 11 124.134 124.134 123.004 1.130 18692 7613 1 19 . 1 1 11 11 ALA HA H 11 4.399 4.399 4.253 0.146 18692 7614 1 19 . 1 1 11 11 ALA C C 11 178.877 178.877 178.274 0.603 18692 7615 1 19 . 1 1 11 11 ALA CA C 11 53.292 53.292 53.159 0.133 18692 7616 1 19 . 1 1 11 11 ALA CB C 11 19.310 19.310 18.766 0.544 18692 7617 1 19 . 1 1 11 11 ALA H H 11 8.239 8.239 8.274 -0.035 18692 7618 1 19 . 1 1 12 12 GLY N N 12 108.661 108.661 110.109 -1.448 18692 7619 1 19 . 1 1 12 12 GLY C C 12 178.614 178.614 175.463 3.151 18692 7620 1 19 . 1 1 12 12 GLY CA C 12 47.640 47.640 46.211 1.429 18692 7621 1 19 . 1 1 12 12 GLY H H 12 8.186 8.186 9.057 -0.871 18692 7622 1 19 . 1 1 13 13 ILE N N 13 123.465 123.465 124.052 -0.587 18692 7623 1 19 . 1 1 13 13 ILE HA H 13 4.150 4.150 4.214 -0.064 18692 7624 1 19 . 1 1 13 13 ILE C C 13 177.234 177.234 176.662 0.572 18692 7625 1 19 . 1 1 13 13 ILE CA C 13 60.500 60.500 62.324 -1.824 18692 7626 1 19 . 1 1 13 13 ILE CB C 13 36.970 36.970 38.398 -1.428 18692 7627 1 19 . 1 1 13 13 ILE H H 13 8.309 8.309 7.384 0.925 18692 7628 1 19 . 1 1 14 14 PHE N N 14 119.560 119.560 120.682 -1.122 18692 7629 1 19 . 1 1 14 14 PHE HA H 14 3.354 3.354 4.248 -0.894 18692 7630 1 19 . 1 1 14 14 PHE C C 14 179.301 179.301 176.572 2.729 18692 7631 1 19 . 1 1 14 14 PHE CA C 14 63.883 63.883 61.434 2.449 18692 7632 1 19 . 1 1 14 14 PHE CB C 14 37.608 37.608 38.177 -0.569 18692 7633 1 19 . 1 1 14 14 PHE H H 14 7.801 7.801 8.027 -0.226 18692 7634 1 19 . 1 1 15 15 GLU N N 15 121.567 121.567 119.855 1.712 18692 7635 1 19 . 1 1 15 15 GLU HA H 15 4.260 4.260 3.400 0.860 18692 7636 1 19 . 1 1 15 15 GLU C C 15 181.428 181.428 177.446 3.982 18692 7637 1 19 . 1 1 15 15 GLU CA C 15 60.579 60.579 58.050 2.529 18692 7638 1 19 . 1 1 15 15 GLU CB C 15 28.158 28.158 28.663 -0.505 18692 7639 1 19 . 1 1 15 15 GLU H H 15 8.331 8.331 8.078 0.253 18692 7640 1 19 . 1 1 16 16 ARG N N 16 121.602 121.602 118.697 2.905 18692 7641 1 19 . 1 1 16 16 ARG HA H 16 4.104 4.104 3.738 0.366 18692 7642 1 19 . 1 1 16 16 ARG C C 16 179.418 179.418 178.823 0.595 18692 7643 1 19 . 1 1 16 16 ARG CA C 16 56.877 56.877 58.877 -2.000 18692 7644 1 19 . 1 1 16 16 ARG CB C 16 29.397 29.397 29.868 -0.471 18692 7645 1 19 . 1 1 16 16 ARG H H 16 8.240 8.240 7.622 0.618 18692 7646 1 19 . 1 1 17 17 LEU N N 17 119.769 119.769 120.459 -0.690 18692 7647 1 19 . 1 1 17 17 LEU HA H 17 3.619 3.619 4.054 -0.435 18692 7648 1 19 . 1 1 17 17 LEU C C 17 179.136 179.136 177.861 1.275 18692 7649 1 19 . 1 1 17 17 LEU CA C 17 59.104 59.104 57.028 2.076 18692 7650 1 19 . 1 1 17 17 LEU CB C 17 42.770 42.770 41.292 1.478 18692 7651 1 19 . 1 1 17 17 LEU H H 17 8.134 8.134 8.339 -0.205 18692 7652 1 19 . 1 1 18 18 GLU N N 18 115.547 115.547 118.472 -2.925 18692 7653 1 19 . 1 1 18 18 GLU HA H 18 3.889 3.889 3.346 0.543 18692 7654 1 19 . 1 1 18 18 GLU C C 18 179.643 179.643 178.172 1.471 18692 7655 1 19 . 1 1 18 18 GLU CA C 18 59.929 59.929 59.449 0.480 18692 7656 1 19 . 1 1 18 18 GLU CB C 18 29.170 29.170 28.859 0.311 18692 7657 1 19 . 1 1 18 18 GLU H H 18 7.674 7.674 7.626 0.048 18692 7658 1 19 . 1 1 19 19 GLU N N 19 119.211 119.211 118.738 0.473 18692 7659 1 19 . 1 1 19 19 GLU HA H 19 4.047 4.047 4.018 0.029 18692 7660 1 19 . 1 1 19 19 GLU C C 19 180.374 180.374 178.123 2.251 18692 7661 1 19 . 1 1 19 19 GLU CA C 19 59.441 59.441 58.193 1.248 18692 7662 1 19 . 1 1 19 19 GLU CB C 19 30.269 30.269 29.508 0.761 18692 7663 1 19 . 1 1 19 19 GLU H H 19 7.782 7.782 7.333 0.449 18692 7664 1 19 . 1 1 20 20 LEU N N 20 119.264 119.264 120.170 -0.906 18692 7665 1 19 . 1 1 20 20 LEU HA H 20 3.761 3.761 3.965 -0.204 18692 7666 1 19 . 1 1 20 20 LEU C C 20 181.666 181.666 178.620 3.046 18692 7667 1 19 . 1 1 20 20 LEU CA C 20 57.862 57.862 57.647 0.215 18692 7668 1 19 . 1 1 20 20 LEU CB C 20 42.111 42.111 42.136 -0.025 18692 7669 1 19 . 1 1 20 20 LEU H H 20 8.507 8.507 7.543 0.964 18692 7670 1 19 . 1 1 21 21 ILE N N 21 117.879 117.879 117.757 0.122 18692 7671 1 19 . 1 1 21 21 ILE HA H 21 3.697 3.697 3.825 -0.128 18692 7672 1 19 . 1 1 21 21 ILE C C 21 181.696 181.696 176.949 4.747 18692 7673 1 19 . 1 1 21 21 ILE CA C 21 65.174 65.174 61.865 3.309 18692 7674 1 19 . 1 1 21 21 ILE CB C 21 38.420 38.420 37.945 0.475 18692 7675 1 19 . 1 1 21 21 ILE H H 21 7.750 7.750 7.019 0.731 18692 7676 1 19 . 1 1 22 22 GLU N N 22 116.656 116.656 120.722 -4.066 18692 7677 1 19 . 1 1 22 22 GLU HA H 22 3.891 3.891 3.934 -0.043 18692 7678 1 19 . 1 1 22 22 GLU C C 22 180.424 180.424 178.694 1.730 18692 7679 1 19 . 1 1 22 22 GLU CA C 22 59.864 59.864 59.986 -0.122 18692 7680 1 19 . 1 1 22 22 GLU CB C 22 30.047 30.047 29.236 0.811 18692 7681 1 19 . 1 1 22 22 GLU H H 22 8.203 8.203 7.766 0.437 18692 7682 1 19 . 1 1 23 23 LYS N N 23 113.426 113.426 117.372 -3.946 18692 7683 1 19 . 1 1 23 23 LYS HA H 23 4.392 4.392 4.026 0.366 18692 7684 1 19 . 1 1 23 23 LYS C C 23 180.639 180.639 179.011 1.628 18692 7685 1 19 . 1 1 23 23 LYS CA C 23 57.952 57.952 59.301 -1.349 18692 7686 1 19 . 1 1 23 23 LYS CB C 23 34.655 34.655 32.298 2.357 18692 7687 1 19 . 1 1 23 23 LYS H H 23 8.713 8.713 7.451 1.262 18692 7688 1 19 . 1 1 24 24 GLU N N 24 115.943 115.943 118.771 -2.828 18692 7689 1 19 . 1 1 24 24 GLU HA H 24 4.730 4.730 4.139 0.591 18692 7690 1 19 . 1 1 24 24 GLU C C 24 177.407 177.407 177.323 0.084 18692 7691 1 19 . 1 1 24 24 GLU CA C 24 56.241 56.241 57.410 -1.169 18692 7692 1 19 . 1 1 24 24 GLU CB C 24 30.664 30.664 30.211 0.453 18692 7693 1 19 . 1 1 24 24 GLU H H 24 8.225 8.225 7.700 0.525 18692 7694 1 19 . 1 1 25 25 MET N N 25 115.075 115.075 118.084 -3.009 18692 7695 1 19 . 1 1 25 25 MET HA H 25 4.832 4.832 4.322 0.510 18692 7696 1 19 . 1 1 25 25 MET C C 25 177.286 177.286 176.679 0.607 18692 7697 1 19 . 1 1 25 25 MET CA C 25 55.022 55.022 54.950 0.072 18692 7698 1 19 . 1 1 25 25 MET CB C 25 37.416 37.416 32.273 5.143 18692 7699 1 19 . 1 1 25 25 MET H H 25 6.860 6.860 7.415 -0.555 18692 7700 1 19 . 1 1 26 26 GLN N N 26 122.801 122.801 122.459 0.342 18692 7701 1 19 . 1 1 26 26 GLN HA H 26 4.345 4.345 4.312 0.033 18692 7702 1 19 . 1 1 26 26 GLN C C 26 175.718 175.718 176.078 -0.360 18692 7703 1 19 . 1 1 26 26 GLN CA C 26 52.909 52.909 55.999 -3.090 18692 7704 1 19 . 1 1 26 26 GLN CB C 26 28.417 28.417 28.798 -0.381 18692 7705 1 19 . 1 1 26 26 GLN H H 26 9.264 9.264 8.615 0.649 18692 7706 1 19 . 1 1 27 27 PRO HA H 27 3.915 3.915 4.369 -0.454 18692 7707 1 19 . 1 1 27 27 PRO C C 27 177.450 177.450 175.825 1.625 18692 7708 1 19 . 1 1 27 27 PRO CA C 27 64.908 64.908 64.922 -0.014 18692 7709 1 19 . 1 1 27 27 PRO CB C 27 31.265 31.265 32.010 -0.745 18692 7710 1 19 . 1 1 28 28 ASN N N 28 118.995 118.995 113.383 5.612 18692 7711 1 19 . 1 1 28 28 ASN HA H 28 4.475 4.475 5.144 -0.669 18692 7712 1 19 . 1 1 28 28 ASN C C 28 179.421 179.421 174.068 5.353 18692 7713 1 19 . 1 1 28 28 ASN CA C 28 55.368 55.368 52.583 2.785 18692 7714 1 19 . 1 1 28 28 ASN CB C 28 38.967 38.967 40.196 -1.228 18692 7715 1 19 . 1 1 28 28 ASN H H 28 8.458 8.458 8.162 0.296 18692 7716 1 19 . 1 1 29 29 GLU N N 29 123.128 123.128 119.561 3.567 18692 7717 1 19 . 1 1 29 29 GLU HA H 29 4.291 4.291 4.572 -0.281 18692 7718 1 19 . 1 1 29 29 GLU C C 29 175.883 175.883 174.421 1.462 18692 7719 1 19 . 1 1 29 29 GLU CA C 29 56.876 56.876 54.628 2.248 18692 7720 1 19 . 1 1 29 29 GLU CB C 29 31.863 31.863 33.934 -2.071 18692 7721 1 19 . 1 1 29 29 GLU H H 29 8.294 8.294 7.658 0.636 18692 7722 1 19 . 1 1 30 30 VAL N N 30 123.635 123.635 120.909 2.726 18692 7723 1 19 . 1 1 30 30 VAL HA H 30 5.293 5.293 4.727 0.566 18692 7724 1 19 . 1 1 30 30 VAL C C 30 177.201 177.201 175.019 2.182 18692 7725 1 19 . 1 1 30 30 VAL CA C 30 60.562 60.562 60.558 0.004 18692 7726 1 19 . 1 1 30 30 VAL CB C 30 33.419 33.419 34.069 -0.650 18692 7727 1 19 . 1 1 30 30 VAL H H 30 8.067 8.067 8.431 -0.364 18692 7728 1 19 . 1 1 31 31 ALA N N 31 127.391 127.391 130.523 -3.132 18692 7729 1 19 . 1 1 31 31 ALA HA H 31 4.919 4.919 4.966 -0.047 18692 7730 1 19 . 1 1 31 31 ALA C C 31 176.179 176.179 176.056 0.123 18692 7731 1 19 . 1 1 31 31 ALA CA C 31 51.470 51.470 50.001 1.469 18692 7732 1 19 . 1 1 31 31 ALA CB C 31 24.772 24.772 21.388 3.384 18692 7733 1 19 . 1 1 31 31 ALA H H 31 9.086 9.086 8.275 0.811 18692 7734 1 19 . 1 1 32 32 ILE N N 32 118.468 118.468 126.109 -7.641 18692 7735 1 19 . 1 1 32 32 ILE HA H 32 5.102 5.102 4.416 0.686 18692 7736 1 19 . 1 1 32 32 ILE C C 32 176.300 176.300 174.775 1.525 18692 7737 1 19 . 1 1 32 32 ILE CA C 32 59.604 59.604 60.788 -1.184 18692 7738 1 19 . 1 1 32 32 ILE CB C 32 41.416 41.416 38.847 2.569 18692 7739 1 19 . 1 1 32 32 ILE H H 32 8.175 8.175 7.913 0.262 18692 7740 1 19 . 1 1 33 33 PHE N N 33 123.926 123.926 128.139 -4.213 18692 7741 1 19 . 1 1 33 33 PHE HA H 33 5.407 5.407 5.535 -0.128 18692 7742 1 19 . 1 1 33 33 PHE C C 33 176.695 176.695 175.880 0.815 18692 7743 1 19 . 1 1 33 33 PHE CA C 33 56.627 56.627 55.266 1.361 18692 7744 1 19 . 1 1 33 33 PHE CB C 33 41.583 41.583 39.304 2.279 18692 7745 1 19 . 1 1 33 33 PHE H H 33 9.277 9.277 8.728 0.549 18692 7746 1 19 . 1 1 34 34 MET N N 34 120.519 120.519 126.162 -5.643 18692 7747 1 19 . 1 1 34 34 MET HA H 34 5.517 5.517 5.447 0.070 18692 7748 1 19 . 1 1 34 34 MET C C 34 177.123 177.123 174.757 2.366 18692 7749 1 19 . 1 1 34 34 MET CA C 34 53.515 53.515 55.293 -1.778 18692 7750 1 19 . 1 1 34 34 MET CB C 34 36.447 36.447 34.758 1.689 18692 7751 1 19 . 1 1 34 34 MET H H 34 8.606 8.606 8.982 -0.376 18692 7752 1 19 . 1 1 35 35 PHE N N 35 118.119 118.119 122.763 -4.644 18692 7753 1 19 . 1 1 35 35 PHE HA H 35 4.642 4.642 5.114 -0.472 18692 7754 1 19 . 1 1 35 35 PHE C C 35 175.188 175.188 173.869 1.319 18692 7755 1 19 . 1 1 35 35 PHE CA C 35 56.100 56.100 55.572 0.528 18692 7756 1 19 . 1 1 35 35 PHE CB C 35 41.450 41.450 41.004 0.446 18692 7757 1 19 . 1 1 35 35 PHE H H 35 8.832 8.832 8.725 0.107 18692 7758 1 19 . 1 1 36 36 GLU N N 36 120.598 120.598 122.857 -2.259 18692 7759 1 19 . 1 1 36 36 GLU HA H 36 4.890 4.890 4.357 0.533 18692 7760 1 19 . 1 1 36 36 GLU C C 36 179.258 179.258 174.937 4.321 18692 7761 1 19 . 1 1 36 36 GLU CA C 36 57.184 57.184 56.024 1.160 18692 7762 1 19 . 1 1 36 36 GLU CB C 36 30.844 30.844 30.414 0.430 18692 7763 1 19 . 1 1 36 36 GLU H H 36 9.421 9.421 8.906 0.515 18692 7764 1 19 . 1 1 37 37 VAL N N 37 122.817 122.817 117.275 5.542 18692 7765 1 19 . 1 1 37 37 VAL HA H 37 4.230 4.230 4.265 -0.035 18692 7766 1 19 . 1 1 37 37 VAL C C 37 176.550 176.550 175.464 1.086 18692 7767 1 19 . 1 1 37 37 VAL CA C 37 65.923 65.923 61.069 4.854 18692 7768 1 19 . 1 1 37 37 VAL H H 37 9.005 9.005 7.409 1.596 18692 7769 1 19 . 1 1 38 38 GLY N N 38 109.660 109.660 108.232 1.428 18692 7770 1 19 . 1 1 38 38 GLY C C 38 173.860 173.860 173.259 0.601 18692 7771 1 19 . 1 1 38 38 GLY CA C 38 44.560 44.560 44.562 -0.002 18692 7772 1 19 . 1 1 38 38 GLY H H 38 8.440 8.440 7.947 0.493 18692 7773 1 19 . 1 1 39 39 ASP N N 39 119.440 119.440 120.097 -0.657 18692 7774 1 19 . 1 1 39 39 ASP HA H 39 4.910 4.910 4.094 0.816 18692 7775 1 19 . 1 1 39 39 ASP C C 39 177.550 177.550 176.503 1.047 18692 7776 1 19 . 1 1 39 39 ASP CA C 39 54.420 54.420 53.253 1.167 18692 7777 1 19 . 1 1 39 39 ASP CB C 39 37.150 37.150 41.304 -4.154 18692 7778 1 19 . 1 1 39 39 ASP H H 39 8.330 8.330 8.295 0.035 18692 7779 1 19 . 1 1 40 40 PHE N N 40 123.361 123.361 118.798 4.563 18692 7780 1 19 . 1 1 40 40 PHE HA H 40 4.620 4.620 4.552 0.068 18692 7781 1 19 . 1 1 40 40 PHE CA C 40 56.250 56.250 59.222 -2.972 18692 7782 1 19 . 1 1 40 40 PHE CB C 40 36.150 36.150 39.272 -3.122 18692 7783 1 19 . 1 1 40 40 PHE H H 40 7.949 7.949 7.076 0.873 18692 7784 1 19 . 1 1 41 41 SER N N 41 121.483 121.483 116.118 5.365 18692 7785 1 19 . 1 1 41 41 SER HA H 41 4.492 4.492 4.278 0.214 18692 7786 1 19 . 1 1 41 41 SER C C 41 174.554 174.554 175.743 -1.189 18692 7787 1 19 . 1 1 41 41 SER CA C 41 59.660 59.660 60.782 -1.122 18692 7788 1 19 . 1 1 41 41 SER CB C 41 63.220 63.220 62.377 0.843 18692 7789 1 19 . 1 1 41 41 SER H H 41 8.519 8.519 8.389 0.130 18692 7790 1 19 . 1 1 42 42 ASN N N 42 118.920 118.920 119.369 -0.449 18692 7791 1 19 . 1 1 42 42 ASN HA H 42 4.910 4.910 4.666 0.244 18692 7792 1 19 . 1 1 42 42 ASN CA C 42 53.490 53.490 54.263 -0.773 18692 7793 1 19 . 1 1 42 42 ASN CB C 42 38.120 38.120 38.201 -0.081 18692 7794 1 19 . 1 1 42 42 ASN H H 42 8.330 8.330 8.234 0.096 18692 7795 1 19 . 1 1 43 43 ILE N N 43 121.540 121.540 121.140 0.400 18692 7796 1 19 . 1 1 43 43 ILE HA H 43 4.180 4.180 3.813 0.367 18692 7797 1 19 . 1 1 43 43 ILE CA C 43 60.110 60.110 66.373 -6.263 18692 7798 1 19 . 1 1 43 43 ILE CB C 43 38.440 38.440 35.012 3.428 18692 7799 1 19 . 1 1 43 43 ILE H H 43 8.293 8.293 7.405 0.888 18692 7800 1 19 . 1 1 44 44 PRO HA H 44 4.461 4.461 4.395 0.066 18692 7801 1 19 . 1 1 44 44 PRO C C 44 176.465 176.465 178.566 -2.101 18692 7802 1 19 . 1 1 44 44 PRO CA C 44 65.358 65.358 65.223 0.135 18692 7803 1 19 . 1 1 44 44 PRO CB C 44 30.441 30.441 31.139 -0.698 18692 7804 1 19 . 1 1 45 45 LYS N N 45 116.236 116.236 117.742 -1.506 18692 7805 1 19 . 1 1 45 45 LYS HA H 45 4.128 4.128 4.057 0.071 18692 7806 1 19 . 1 1 45 45 LYS C C 45 181.467 181.467 178.180 3.287 18692 7807 1 19 . 1 1 45 45 LYS CA C 45 59.712 59.712 59.065 0.647 18692 7808 1 19 . 1 1 45 45 LYS CB C 45 33.281 33.281 32.331 0.950 18692 7809 1 19 . 1 1 45 45 LYS H H 45 7.270 7.270 7.534 -0.264 18692 7810 1 19 . 1 1 46 46 SER N N 46 116.059 116.059 115.545 0.514 18692 7811 1 19 . 1 1 46 46 SER HA H 46 4.080 4.080 4.338 -0.258 18692 7812 1 19 . 1 1 46 46 SER C C 46 177.432 177.432 176.820 0.612 18692 7813 1 19 . 1 1 46 46 SER CA C 46 63.202 63.202 60.778 2.424 18692 7814 1 19 . 1 1 46 46 SER CB C 46 62.118 62.118 62.927 -0.809 18692 7815 1 19 . 1 1 46 46 SER H H 46 8.293 8.293 7.449 0.844 18692 7816 1 19 . 1 1 47 47 ALA N N 47 126.579 126.579 124.241 2.338 18692 7817 1 19 . 1 1 47 47 ALA HA H 47 4.128 4.128 4.239 -0.111 18692 7818 1 19 . 1 1 47 47 ALA C C 47 181.528 181.528 178.056 3.472 18692 7819 1 19 . 1 1 47 47 ALA CA C 47 55.704 55.704 54.471 1.233 18692 7820 1 19 . 1 1 47 47 ALA CB C 47 18.326 18.326 18.221 0.105 18692 7821 1 19 . 1 1 47 47 ALA H H 47 6.990 6.990 7.825 -0.835 18692 7822 1 19 . 1 1 48 48 GLU N N 48 117.980 117.980 117.377 0.603 18692 7823 1 19 . 1 1 48 48 GLU HA H 48 4.062 4.062 3.100 0.962 18692 7824 1 19 . 1 1 48 48 GLU C C 48 180.822 180.822 177.404 3.418 18692 7825 1 19 . 1 1 48 48 GLU CA C 48 59.100 59.100 57.576 1.524 18692 7826 1 19 . 1 1 48 48 GLU CB C 48 29.770 29.770 29.329 0.441 18692 7827 1 19 . 1 1 48 48 GLU H H 48 7.863 7.863 7.299 0.564 18692 7828 1 19 . 1 1 49 49 PHE N N 49 122.179 122.179 117.347 4.832 18692 7829 1 19 . 1 1 49 49 PHE HA H 49 4.117 4.117 4.173 -0.056 18692 7830 1 19 . 1 1 49 49 PHE C C 49 179.580 179.580 176.780 2.800 18692 7831 1 19 . 1 1 49 49 PHE CA C 49 57.813 57.813 60.374 -2.561 18692 7832 1 19 . 1 1 49 49 PHE CB C 49 41.695 41.695 39.127 2.568 18692 7833 1 19 . 1 1 49 49 PHE H H 49 8.341 8.341 7.680 0.661 18692 7834 1 19 . 1 1 50 50 ILE N N 50 117.469 117.469 117.474 -0.005 18692 7835 1 19 . 1 1 50 50 ILE HA H 50 3.533 3.533 3.988 -0.455 18692 7836 1 19 . 1 1 50 50 ILE C C 50 179.698 179.698 176.256 3.442 18692 7837 1 19 . 1 1 50 50 ILE CA C 50 62.884 62.884 62.136 0.748 18692 7838 1 19 . 1 1 50 50 ILE CB C 50 36.669 36.669 37.931 -1.262 18692 7839 1 19 . 1 1 50 50 ILE H H 50 8.322 8.322 7.261 1.061 18692 7840 1 19 . 1 1 51 51 GLN N N 51 117.190 117.190 117.760 -0.570 18692 7841 1 19 . 1 1 51 51 GLN HA H 51 4.261 4.261 4.521 -0.260 18692 7842 1 19 . 1 1 51 51 GLN C C 51 182.627 182.627 175.785 6.842 18692 7843 1 19 . 1 1 51 51 GLN CA C 51 58.862 58.862 54.785 4.077 18692 7844 1 19 . 1 1 51 51 GLN CB C 51 28.451 28.451 31.133 -2.682 18692 7845 1 19 . 1 1 51 51 GLN H H 51 7.887 7.887 7.711 0.176 18692 7846 1 19 . 1 1 52 52 SER N N 52 117.670 117.670 119.984 -2.314 18692 7847 1 19 . 1 1 52 52 SER HA H 52 4.137 4.137 4.222 -0.085 18692 7848 1 19 . 1 1 52 52 SER CA C 52 61.401 61.401 61.054 0.347 18692 7849 1 19 . 1 1 52 52 SER CB C 52 62.615 62.615 63.335 -0.720 18692 7850 1 19 . 1 1 52 52 SER H H 52 8.556 8.556 8.771 -0.215 18692 7851 1 19 . 1 1 53 53 LYS N N 53 119.008 119.008 119.770 -0.762 18692 7852 1 19 . 1 1 53 53 LYS HA H 53 4.170 4.170 4.368 -0.198 18692 7853 1 19 . 1 1 53 53 LYS C C 53 177.911 177.911 175.354 2.557 18692 7854 1 19 . 1 1 53 53 LYS CA C 53 54.662 54.662 55.905 -1.243 18692 7855 1 19 . 1 1 53 53 LYS CB C 53 32.652 32.652 32.992 -0.340 18692 7856 1 19 . 1 1 53 53 LYS H H 53 7.064 7.064 7.809 -0.745 18692 7857 1 19 . 1 1 54 54 GLY N N 54 105.188 105.188 112.501 -7.313 18692 7858 1 19 . 1 1 54 54 GLY C C 54 175.528 175.528 173.636 1.892 18692 7859 1 19 . 1 1 54 54 GLY CA C 54 45.118 45.118 45.548 -0.430 18692 7860 1 19 . 1 1 54 54 GLY H H 54 7.548 7.548 8.530 -0.982 18692 7861 1 19 . 1 1 55 55 HIS N N 55 118.294 118.294 122.081 -3.787 18692 7862 1 19 . 1 1 55 55 HIS HA H 55 4.947 4.947 4.673 0.274 18692 7863 1 19 . 1 1 55 55 HIS C C 55 175.240 175.240 174.186 1.054 18692 7864 1 19 . 1 1 55 55 HIS CA C 55 54.847 54.847 55.482 -0.635 18692 7865 1 19 . 1 1 55 55 HIS CB C 55 31.315 31.315 29.164 2.151 18692 7866 1 19 . 1 1 55 55 HIS H H 55 6.998 6.998 8.106 -1.108 18692 7867 1 19 . 1 1 56 56 GLU N N 56 118.205 118.205 125.712 -7.507 18692 7868 1 19 . 1 1 56 56 GLU HA H 56 4.666 4.666 4.476 0.190 18692 7869 1 19 . 1 1 56 56 GLU C C 56 176.766 176.766 174.784 1.982 18692 7870 1 19 . 1 1 56 56 GLU CA C 56 55.162 55.162 54.896 0.266 18692 7871 1 19 . 1 1 56 56 GLU CB C 56 33.110 33.110 32.539 0.571 18692 7872 1 19 . 1 1 56 56 GLU H H 56 8.509 8.509 8.054 0.455 18692 7873 1 19 . 1 1 57 57 LEU N N 57 127.769 127.769 127.241 0.528 18692 7874 1 19 . 1 1 57 57 LEU HA H 57 4.786 4.786 4.832 -0.046 18692 7875 1 19 . 1 1 57 57 LEU C C 57 177.854 177.854 177.780 0.074 18692 7876 1 19 . 1 1 57 57 LEU CA C 57 53.780 53.780 53.668 0.112 18692 7877 1 19 . 1 1 57 57 LEU CB C 57 42.676 42.676 40.408 2.268 18692 7878 1 19 . 1 1 57 57 LEU H H 57 8.978 8.978 8.854 0.124 18692 7879 1 19 . 1 1 58 58 LEU N N 58 128.364 128.364 125.454 2.910 18692 7880 1 19 . 1 1 58 58 LEU HA H 58 4.402 4.402 4.050 0.352 18692 7881 1 19 . 1 1 58 58 LEU C C 58 179.469 179.469 177.536 1.933 18692 7882 1 19 . 1 1 58 58 LEU CA C 58 56.534 56.534 57.598 -1.064 18692 7883 1 19 . 1 1 58 58 LEU CB C 58 42.371 42.371 42.650 -0.279 18692 7884 1 19 . 1 1 58 58 LEU H H 58 9.128 9.128 7.924 1.204 18692 7885 1 19 . 1 1 59 59 ASN N N 59 113.622 113.622 115.717 -2.095 18692 7886 1 19 . 1 1 59 59 ASN HA H 59 4.918 4.918 4.878 0.040 18692 7887 1 19 . 1 1 59 59 ASN C C 59 175.560 175.560 174.342 1.218 18692 7888 1 19 . 1 1 59 59 ASN CA C 59 52.389 52.389 52.168 0.221 18692 7889 1 19 . 1 1 59 59 ASN CB C 59 41.887 41.887 39.181 2.706 18692 7890 1 19 . 1 1 59 59 ASN H H 59 7.574 7.574 7.900 -0.326 18692 7891 1 19 . 1 1 60 60 SER N N 60 118.134 118.134 120.455 -2.321 18692 7892 1 19 . 1 1 60 60 SER HA H 60 4.045 4.045 4.280 -0.235 18692 7893 1 19 . 1 1 60 60 SER CA C 60 56.925 56.925 58.853 -1.928 18692 7894 1 19 . 1 1 60 60 SER CB C 60 63.649 63.649 64.008 -0.359 18692 7895 1 19 . 1 1 60 60 SER H H 60 8.436 8.436 8.535 -0.099 18692 7896 1 19 . 1 1 61 61 LEU N N 61 128.266 128.266 121.539 6.727 18692 7897 1 19 . 1 1 61 61 LEU HA H 61 4.219 4.219 4.603 -0.384 18692 7898 1 19 . 1 1 61 61 LEU CA C 61 55.106 55.106 55.902 -0.796 18692 7899 1 19 . 1 1 61 61 LEU CB C 61 44.577 44.577 42.216 2.361 18692 7900 1 19 . 1 1 61 61 LEU H H 61 8.725 8.725 8.275 0.450 18692 7901 1 19 . 1 1 62 62 ARG N N 62 122.383 122.383 124.656 -2.273 18692 7902 1 19 . 1 1 62 62 ARG HA H 62 4.312 4.312 4.352 -0.040 18692 7903 1 19 . 1 1 62 62 ARG C C 62 176.560 176.560 175.497 1.063 18692 7904 1 19 . 1 1 62 62 ARG CA C 62 57.290 57.290 54.822 2.468 18692 7905 1 19 . 1 1 62 62 ARG CB C 62 30.828 30.828 27.878 2.950 18692 7906 1 19 . 1 1 62 62 ARG H H 62 7.303 7.303 8.809 -1.506 18692 7907 1 19 . 1 1 63 63 PHE N N 63 120.560 120.560 120.590 -0.030 18692 7908 1 19 . 1 1 63 63 PHE HA H 63 4.613 4.613 4.260 0.353 18692 7909 1 19 . 1 1 63 63 PHE CA C 63 61.377 61.377 57.117 4.260 18692 7910 1 19 . 1 1 63 63 PHE CB C 63 39.908 39.908 38.615 1.293 18692 7911 1 19 . 1 1 63 63 PHE H H 63 8.321 8.321 7.971 0.350 18692 7912 1 19 . 1 1 64 64 ASN N N 64 117.616 117.616 114.804 2.812 18692 7913 1 19 . 1 1 64 64 ASN HA H 64 4.377 4.377 3.955 0.422 18692 7914 1 19 . 1 1 64 64 ASN C C 64 176.642 176.642 173.727 2.915 18692 7915 1 19 . 1 1 64 64 ASN CA C 64 53.465 53.465 53.556 -0.091 18692 7916 1 19 . 1 1 64 64 ASN CB C 64 37.450 37.450 37.143 0.307 18692 7917 1 19 . 1 1 64 64 ASN H H 64 8.101 8.101 8.306 -0.205 18692 7918 1 19 . 1 1 65 65 GLN N N 65 115.548 115.548 117.391 -1.843 18692 7919 1 19 . 1 1 65 65 GLN HA H 65 4.275 4.275 4.400 -0.125 18692 7920 1 19 . 1 1 65 65 GLN C C 65 178.411 178.411 174.578 3.833 18692 7921 1 19 . 1 1 65 65 GLN CA C 65 59.127 59.127 54.630 4.497 18692 7922 1 19 . 1 1 65 65 GLN CB C 65 28.650 28.650 31.147 -2.497 18692 7923 1 19 . 1 1 65 65 GLN H H 65 8.330 8.330 7.518 0.812 18692 7924 1 19 . 1 1 66 66 ALA N N 66 120.802 120.802 123.017 -2.215 18692 7925 1 19 . 1 1 66 66 ALA HA H 66 4.652 4.652 4.264 0.388 18692 7926 1 19 . 1 1 66 66 ALA C C 66 178.893 178.893 176.939 1.954 18692 7927 1 19 . 1 1 66 66 ALA CA C 66 52.751 52.751 52.181 0.570 18692 7928 1 19 . 1 1 66 66 ALA CB C 66 21.705 21.705 19.451 2.254 18692 7929 1 19 . 1 1 66 66 ALA H H 66 8.346 8.346 8.277 0.069 18692 7930 1 19 . 1 1 67 67 ASP N N 67 118.909 118.909 118.428 0.481 18692 7931 1 19 . 1 1 67 67 ASP HA H 67 4.612 4.612 4.342 0.270 18692 7932 1 19 . 1 1 67 67 ASP C C 67 175.639 175.639 175.438 0.201 18692 7933 1 19 . 1 1 67 67 ASP CA C 67 54.726 54.726 54.913 -0.187 18692 7934 1 19 . 1 1 67 67 ASP CB C 67 45.152 45.152 40.710 4.442 18692 7935 1 19 . 1 1 67 67 ASP H H 67 8.117 8.117 8.224 -0.107 18692 7936 1 19 . 1 1 68 68 TRP HA H 68 4.477 4.477 4.819 -0.342 18692 7937 1 19 . 1 1 68 68 TRP CA C 68 56.253 56.253 56.203 0.050 18692 7938 1 19 . 1 1 68 68 TRP CB C 68 33.719 33.719 33.587 0.132 18692 7939 1 19 . 1 1 68 68 TRP H H 68 8.310 8.310 7.893 0.417 18692 7940 1 19 . 1 1 69 69 THR N N 69 114.495 114.495 112.707 1.788 18692 7941 1 19 . 1 1 69 69 THR HA H 69 5.605 5.605 4.803 0.802 18692 7942 1 19 . 1 1 69 69 THR C C 69 176.005 176.005 173.176 2.829 18692 7943 1 19 . 1 1 69 69 THR CA C 69 58.855 58.855 60.359 -1.504 18692 7944 1 19 . 1 1 69 69 THR CB C 69 72.755 72.755 70.649 2.106 18692 7945 1 19 . 1 1 69 69 THR H H 69 7.985 7.985 7.978 0.007 18692 7946 1 19 . 1 1 70 70 ILE N N 70 114.448 114.448 127.398 -12.950 18692 7947 1 19 . 1 1 70 70 ILE HA H 70 5.384 5.384 4.621 0.763 18692 7948 1 19 . 1 1 70 70 ILE C C 70 175.751 175.751 174.070 1.681 18692 7949 1 19 . 1 1 70 70 ILE CA C 70 59.637 59.637 58.827 0.810 18692 7950 1 19 . 1 1 70 70 ILE CB C 70 41.689 41.689 41.479 0.210 18692 7951 1 19 . 1 1 70 70 ILE H H 70 8.807 8.807 8.231 0.576 18692 7952 1 19 . 1 1 71 71 VAL N N 71 124.084 124.084 126.775 -2.691 18692 7953 1 19 . 1 1 71 71 VAL HA H 71 5.012 5.012 4.585 0.427 18692 7954 1 19 . 1 1 71 71 VAL C C 71 177.625 177.625 174.610 3.015 18692 7955 1 19 . 1 1 71 71 VAL CA C 71 61.647 61.647 60.849 0.798 18692 7956 1 19 . 1 1 71 71 VAL CB C 71 32.482 32.482 32.175 0.307 18692 7957 1 19 . 1 1 71 71 VAL H H 71 8.500 8.500 8.408 0.092 18692 7958 1 19 . 1 1 72 72 VAL N N 72 127.753 127.753 125.041 2.712 18692 7959 1 19 . 1 1 72 72 VAL HA H 72 5.147 5.147 4.607 0.540 18692 7960 1 19 . 1 1 72 72 VAL C C 72 175.444 175.444 175.223 0.221 18692 7961 1 19 . 1 1 72 72 VAL CA C 72 60.252 60.252 60.471 -0.219 18692 7962 1 19 . 1 1 72 72 VAL CB C 72 37.425 37.425 33.661 3.764 18692 7963 1 19 . 1 1 72 72 VAL H H 72 9.280 9.280 8.258 1.022 18692 7964 1 19 . 1 1 73 73 ARG N N 73 125.839 125.839 126.796 -0.957 18692 7965 1 19 . 1 1 73 73 ARG HA H 73 5.458 5.458 5.178 0.280 18692 7966 1 19 . 1 1 73 73 ARG C C 73 177.981 177.981 176.313 1.668 18692 7967 1 19 . 1 1 73 73 ARG CA C 73 53.788 53.788 54.155 -0.367 18692 7968 1 19 . 1 1 73 73 ARG CB C 73 33.855 33.855 31.197 2.658 18692 7969 1 19 . 1 1 73 73 ARG H H 73 9.194 9.194 8.683 0.511 18692 7970 1 19 . 1 1 74 74 LYS N N 74 129.522 129.522 125.376 4.146 18692 7971 1 19 . 1 1 74 74 LYS HA H 74 4.323 4.323 4.180 0.143 18692 7972 1 19 . 1 1 74 74 LYS C C 74 178.340 178.340 176.566 1.774 18692 7973 1 19 . 1 1 74 74 LYS CA C 74 55.983 55.983 57.203 -1.220 18692 7974 1 19 . 1 1 74 74 LYS CB C 74 33.103 33.103 33.378 -0.275 18692 7975 1 19 . 1 1 74 74 LYS H H 74 10.930 10.930 8.413 2.517 18692 7976 1 19 . 1 1 75 75 LYS N N 75 131.817 131.817 119.493 12.324 18692 7977 1 19 . 1 1 75 75 LYS HA H 75 4.489 4.489 4.475 0.014 18692 7978 1 19 . 1 1 75 75 LYS CA C 75 55.927 55.927 56.711 -0.784 18692 7979 1 19 . 1 1 75 75 LYS CB C 75 29.730 29.730 33.461 -3.731 18692 7980 1 19 . 1 1 75 75 LYS H H 75 10.873 10.873 8.534 2.339 18692 7981 1 20 . 1 1 2 2 LYS N N 2 127.399 127.399 121.289 6.110 18692 7982 1 20 . 1 1 2 2 LYS HA H 2 3.954 3.954 4.736 -0.782 18692 7983 1 20 . 1 1 2 2 LYS C C 2 175.826 175.826 175.033 0.793 18692 7984 1 20 . 1 1 2 2 LYS CA C 2 57.475 57.475 55.869 1.606 18692 7985 1 20 . 1 1 2 2 LYS CB C 2 34.009 34.009 33.209 0.800 18692 7986 1 20 . 1 1 2 2 LYS H H 2 9.167 9.167 8.490 0.677 18692 7987 1 20 . 1 1 3 3 ARG N N 3 121.207 121.207 118.469 2.738 18692 7988 1 20 . 1 1 3 3 ARG HA H 3 4.797 4.797 4.839 -0.042 18692 7989 1 20 . 1 1 3 3 ARG C C 3 176.719 176.719 174.243 2.476 18692 7990 1 20 . 1 1 3 3 ARG CA C 3 54.082 54.082 55.257 -1.175 18692 7991 1 20 . 1 1 3 3 ARG CB C 3 32.816 32.816 32.748 0.068 18692 7992 1 20 . 1 1 3 3 ARG H H 3 7.705 7.705 7.720 -0.015 18692 7993 1 20 . 1 1 4 4 PHE N N 4 124.380 124.380 121.011 3.369 18692 7994 1 20 . 1 1 4 4 PHE HA H 4 4.729 4.729 4.808 -0.079 18692 7995 1 20 . 1 1 4 4 PHE C C 4 176.180 176.180 174.063 2.117 18692 7996 1 20 . 1 1 4 4 PHE CA C 4 56.584 56.584 57.198 -0.614 18692 7997 1 20 . 1 1 4 4 PHE CB C 4 41.758 41.758 42.582 -0.824 18692 7998 1 20 . 1 1 4 4 PHE H H 4 8.913 8.913 9.458 -0.545 18692 7999 1 20 . 1 1 5 5 ASP N N 5 123.331 123.331 128.447 -5.116 18692 8000 1 20 . 1 1 5 5 ASP HA H 5 4.390 4.390 4.902 -0.512 18692 8001 1 20 . 1 1 5 5 ASP C C 5 177.524 177.524 175.326 2.198 18692 8002 1 20 . 1 1 5 5 ASP CA C 5 53.344 53.344 54.438 -1.094 18692 8003 1 20 . 1 1 5 5 ASP CB C 5 41.043 41.043 41.444 -0.401 18692 8004 1 20 . 1 1 5 5 ASP H H 5 9.113 9.113 8.621 0.492 18692 8005 1 20 . 1 1 6 6 LEU N N 6 122.540 122.540 124.870 -2.330 18692 8006 1 20 . 1 1 6 6 LEU HA H 6 4.304 4.304 4.573 -0.269 18692 8007 1 20 . 1 1 6 6 LEU CA C 6 55.260 55.260 53.648 1.612 18692 8008 1 20 . 1 1 6 6 LEU CB C 6 42.680 42.680 41.686 0.994 18692 8009 1 20 . 1 1 6 6 LEU H H 6 8.305 8.305 8.308 -0.003 18692 8010 1 20 . 1 1 7 7 ARG N N 7 121.715 121.715 122.341 -0.626 18692 8011 1 20 . 1 1 7 7 ARG HA H 7 4.156 4.156 4.073 0.083 18692 8012 1 20 . 1 1 7 7 ARG C C 7 177.664 177.664 175.372 2.292 18692 8013 1 20 . 1 1 7 7 ARG CA C 7 56.463 56.463 60.903 -4.440 18692 8014 1 20 . 1 1 7 7 ARG CB C 7 29.315 29.315 28.779 0.537 18692 8015 1 20 . 1 1 7 7 ARG H H 7 8.293 8.293 7.737 0.556 18692 8016 1 20 . 1 1 8 8 PRO HA H 8 4.365 4.365 4.324 0.041 18692 8017 1 20 . 1 1 8 8 PRO C C 8 178.886 178.886 176.510 2.376 18692 8018 1 20 . 1 1 8 8 PRO CA C 8 65.193 65.193 63.174 2.019 18692 8019 1 20 . 1 1 8 8 PRO CB C 8 31.566 31.566 31.685 -0.119 18692 8020 1 20 . 1 1 9 9 LEU N N 9 114.107 114.107 121.616 -7.509 18692 8021 1 20 . 1 1 9 9 LEU HA H 9 4.175 4.175 4.334 -0.159 18692 8022 1 20 . 1 1 9 9 LEU C C 9 178.897 178.897 176.313 2.584 18692 8023 1 20 . 1 1 9 9 LEU CA C 9 54.878 54.878 54.875 0.003 18692 8024 1 20 . 1 1 9 9 LEU CB C 9 41.222 41.222 43.614 -2.393 18692 8025 1 20 . 1 1 9 9 LEU H H 9 7.310 7.310 7.242 0.068 18692 8026 1 20 . 1 1 10 10 LYS N N 10 116.563 116.563 123.049 -6.486 18692 8027 1 20 . 1 1 10 10 LYS HA H 10 3.823 3.823 4.268 -0.445 18692 8028 1 20 . 1 1 10 10 LYS C C 10 178.805 178.805 175.646 3.159 18692 8029 1 20 . 1 1 10 10 LYS CA C 10 57.693 57.693 55.379 2.314 18692 8030 1 20 . 1 1 10 10 LYS CB C 10 34.124 34.124 33.593 0.531 18692 8031 1 20 . 1 1 10 10 LYS H H 10 8.132 8.132 8.132 0.000 18692 8032 1 20 . 1 1 11 11 ALA N N 11 124.134 124.134 122.670 1.464 18692 8033 1 20 . 1 1 11 11 ALA HA H 11 4.399 4.399 3.886 0.513 18692 8034 1 20 . 1 1 11 11 ALA C C 11 178.877 178.877 178.679 0.198 18692 8035 1 20 . 1 1 11 11 ALA CA C 11 53.292 53.292 52.953 0.339 18692 8036 1 20 . 1 1 11 11 ALA CB C 11 19.310 19.310 18.290 1.020 18692 8037 1 20 . 1 1 11 11 ALA H H 11 8.239 8.239 8.310 -0.071 18692 8038 1 20 . 1 1 12 12 GLY N N 12 108.661 108.661 111.129 -2.468 18692 8039 1 20 . 1 1 12 12 GLY C C 12 178.614 178.614 174.533 4.081 18692 8040 1 20 . 1 1 12 12 GLY CA C 12 47.640 47.640 45.590 2.050 18692 8041 1 20 . 1 1 12 12 GLY H H 12 8.186 8.186 8.872 -0.686 18692 8042 1 20 . 1 1 13 13 ILE N N 13 123.465 123.465 122.008 1.457 18692 8043 1 20 . 1 1 13 13 ILE HA H 13 4.150 4.150 4.349 -0.199 18692 8044 1 20 . 1 1 13 13 ILE C C 13 177.234 177.234 177.217 0.017 18692 8045 1 20 . 1 1 13 13 ILE CA C 13 60.500 60.500 62.070 -1.570 18692 8046 1 20 . 1 1 13 13 ILE CB C 13 36.970 36.970 39.058 -2.088 18692 8047 1 20 . 1 1 13 13 ILE H H 13 8.309 8.309 7.428 0.881 18692 8048 1 20 . 1 1 14 14 PHE N N 14 119.560 119.560 120.151 -0.591 18692 8049 1 20 . 1 1 14 14 PHE HA H 14 3.354 3.354 4.163 -0.809 18692 8050 1 20 . 1 1 14 14 PHE C C 14 179.301 179.301 176.734 2.567 18692 8051 1 20 . 1 1 14 14 PHE CA C 14 63.883 63.883 61.147 2.736 18692 8052 1 20 . 1 1 14 14 PHE CB C 14 37.608 37.608 37.895 -0.287 18692 8053 1 20 . 1 1 14 14 PHE H H 14 7.801 7.801 8.017 -0.216 18692 8054 1 20 . 1 1 15 15 GLU N N 15 121.567 121.567 119.259 2.308 18692 8055 1 20 . 1 1 15 15 GLU HA H 15 4.260 4.260 3.467 0.793 18692 8056 1 20 . 1 1 15 15 GLU C C 15 181.428 181.428 177.347 4.081 18692 8057 1 20 . 1 1 15 15 GLU CA C 15 60.579 60.579 57.781 2.798 18692 8058 1 20 . 1 1 15 15 GLU CB C 15 28.158 28.158 28.863 -0.705 18692 8059 1 20 . 1 1 15 15 GLU H H 15 8.331 8.331 8.241 0.090 18692 8060 1 20 . 1 1 16 16 ARG N N 16 121.602 121.602 119.356 2.246 18692 8061 1 20 . 1 1 16 16 ARG HA H 16 4.104 4.104 3.838 0.266 18692 8062 1 20 . 1 1 16 16 ARG C C 16 179.418 179.418 178.900 0.518 18692 8063 1 20 . 1 1 16 16 ARG CA C 16 56.877 56.877 58.347 -1.470 18692 8064 1 20 . 1 1 16 16 ARG CB C 16 29.397 29.397 30.241 -0.844 18692 8065 1 20 . 1 1 16 16 ARG H H 16 8.240 8.240 7.333 0.907 18692 8066 1 20 . 1 1 17 17 LEU N N 17 119.769 119.769 119.439 0.330 18692 8067 1 20 . 1 1 17 17 LEU HA H 17 3.619 3.619 4.126 -0.507 18692 8068 1 20 . 1 1 17 17 LEU C C 17 179.136 179.136 177.930 1.206 18692 8069 1 20 . 1 1 17 17 LEU CA C 17 59.104 59.104 56.393 2.711 18692 8070 1 20 . 1 1 17 17 LEU CB C 17 42.770 42.770 41.508 1.262 18692 8071 1 20 . 1 1 17 17 LEU H H 17 8.134 8.134 8.513 -0.379 18692 8072 1 20 . 1 1 18 18 GLU N N 18 115.547 115.547 118.409 -2.862 18692 8073 1 20 . 1 1 18 18 GLU HA H 18 3.889 3.889 3.350 0.539 18692 8074 1 20 . 1 1 18 18 GLU C C 18 179.643 179.643 178.116 1.527 18692 8075 1 20 . 1 1 18 18 GLU CA C 18 59.929 59.929 59.512 0.417 18692 8076 1 20 . 1 1 18 18 GLU CB C 18 29.170 29.170 28.902 0.268 18692 8077 1 20 . 1 1 18 18 GLU H H 18 7.674 7.674 7.668 0.006 18692 8078 1 20 . 1 1 19 19 GLU N N 19 119.211 119.211 118.759 0.452 18692 8079 1 20 . 1 1 19 19 GLU HA H 19 4.047 4.047 4.025 0.022 18692 8080 1 20 . 1 1 19 19 GLU C C 19 180.374 180.374 178.034 2.340 18692 8081 1 20 . 1 1 19 19 GLU CA C 19 59.441 59.441 58.270 1.171 18692 8082 1 20 . 1 1 19 19 GLU CB C 19 30.269 30.269 29.459 0.810 18692 8083 1 20 . 1 1 19 19 GLU H H 19 7.782 7.782 7.387 0.395 18692 8084 1 20 . 1 1 20 20 LEU N N 20 119.264 119.264 120.218 -0.954 18692 8085 1 20 . 1 1 20 20 LEU HA H 20 3.761 3.761 3.949 -0.188 18692 8086 1 20 . 1 1 20 20 LEU C C 20 181.666 181.666 178.828 2.838 18692 8087 1 20 . 1 1 20 20 LEU CA C 20 57.862 57.862 57.771 0.091 18692 8088 1 20 . 1 1 20 20 LEU CB C 20 42.111 42.111 42.014 0.097 18692 8089 1 20 . 1 1 20 20 LEU H H 20 8.507 8.507 7.119 1.388 18692 8090 1 20 . 1 1 21 21 ILE N N 21 117.879 117.879 117.663 0.216 18692 8091 1 20 . 1 1 21 21 ILE HA H 21 3.697 3.697 3.823 -0.126 18692 8092 1 20 . 1 1 21 21 ILE C C 21 181.696 181.696 176.948 4.748 18692 8093 1 20 . 1 1 21 21 ILE CA C 21 65.174 65.174 61.826 3.348 18692 8094 1 20 . 1 1 21 21 ILE CB C 21 38.420 38.420 37.854 0.566 18692 8095 1 20 . 1 1 21 21 ILE H H 21 7.750 7.750 7.068 0.682 18692 8096 1 20 . 1 1 22 22 GLU N N 22 116.656 116.656 119.628 -2.972 18692 8097 1 20 . 1 1 22 22 GLU HA H 22 3.891 3.891 3.934 -0.043 18692 8098 1 20 . 1 1 22 22 GLU C C 22 180.424 180.424 177.757 2.667 18692 8099 1 20 . 1 1 22 22 GLU CA C 22 59.864 59.864 59.480 0.383 18692 8100 1 20 . 1 1 22 22 GLU CB C 22 30.047 30.047 29.343 0.704 18692 8101 1 20 . 1 1 22 22 GLU H H 22 8.203 8.203 7.509 0.694 18692 8102 1 20 . 1 1 23 23 LYS N N 23 113.426 113.426 116.784 -3.358 18692 8103 1 20 . 1 1 23 23 LYS HA H 23 4.392 4.392 4.099 0.293 18692 8104 1 20 . 1 1 23 23 LYS C C 23 180.639 180.639 177.753 2.886 18692 8105 1 20 . 1 1 23 23 LYS CA C 23 57.952 57.952 58.549 -0.597 18692 8106 1 20 . 1 1 23 23 LYS CB C 23 34.655 34.655 32.464 2.192 18692 8107 1 20 . 1 1 23 23 LYS H H 23 8.713 8.713 7.365 1.348 18692 8108 1 20 . 1 1 24 24 GLU N N 24 115.943 115.943 117.369 -1.426 18692 8109 1 20 . 1 1 24 24 GLU HA H 24 4.730 4.730 4.177 0.553 18692 8110 1 20 . 1 1 24 24 GLU C C 24 177.407 177.407 177.359 0.048 18692 8111 1 20 . 1 1 24 24 GLU CA C 24 56.241 56.241 57.205 -0.964 18692 8112 1 20 . 1 1 24 24 GLU CB C 24 30.664 30.664 30.375 0.289 18692 8113 1 20 . 1 1 24 24 GLU H H 24 8.225 8.225 7.714 0.511 18692 8114 1 20 . 1 1 25 25 MET N N 25 115.075 115.075 118.495 -3.420 18692 8115 1 20 . 1 1 25 25 MET HA H 25 4.832 4.832 4.287 0.545 18692 8116 1 20 . 1 1 25 25 MET C C 25 177.286 177.286 176.216 1.070 18692 8117 1 20 . 1 1 25 25 MET CA C 25 55.022 55.022 55.202 -0.180 18692 8118 1 20 . 1 1 25 25 MET CB C 25 37.416 37.416 32.292 5.124 18692 8119 1 20 . 1 1 25 25 MET H H 25 6.860 6.860 7.457 -0.597 18692 8120 1 20 . 1 1 26 26 GLN N N 26 122.801 122.801 121.757 1.044 18692 8121 1 20 . 1 1 26 26 GLN HA H 26 4.345 4.345 4.327 0.018 18692 8122 1 20 . 1 1 26 26 GLN C C 26 175.718 175.718 176.096 -0.378 18692 8123 1 20 . 1 1 26 26 GLN CA C 26 52.909 52.909 55.982 -3.073 18692 8124 1 20 . 1 1 26 26 GLN CB C 26 28.417 28.417 28.965 -0.548 18692 8125 1 20 . 1 1 26 26 GLN H H 26 9.264 9.264 8.359 0.905 18692 8126 1 20 . 1 1 27 27 PRO HA H 27 3.915 3.915 4.364 -0.449 18692 8127 1 20 . 1 1 27 27 PRO C C 27 177.450 177.450 175.749 1.701 18692 8128 1 20 . 1 1 27 27 PRO CA C 27 64.908 64.908 64.863 0.045 18692 8129 1 20 . 1 1 27 27 PRO CB C 27 31.265 31.265 32.110 -0.845 18692 8130 1 20 . 1 1 28 28 ASN N N 28 118.995 118.995 113.966 5.029 18692 8131 1 20 . 1 1 28 28 ASN HA H 28 4.475 4.475 5.250 -0.775 18692 8132 1 20 . 1 1 28 28 ASN C C 28 179.421 179.421 174.178 5.243 18692 8133 1 20 . 1 1 28 28 ASN CA C 28 55.368 55.368 52.383 2.985 18692 8134 1 20 . 1 1 28 28 ASN CB C 28 38.967 38.967 39.641 -0.674 18692 8135 1 20 . 1 1 28 28 ASN H H 28 8.458 8.458 8.178 0.280 18692 8136 1 20 . 1 1 29 29 GLU N N 29 123.128 123.128 119.441 3.687 18692 8137 1 20 . 1 1 29 29 GLU HA H 29 4.291 4.291 4.603 -0.312 18692 8138 1 20 . 1 1 29 29 GLU C C 29 175.883 175.883 173.983 1.900 18692 8139 1 20 . 1 1 29 29 GLU CA C 29 56.876 56.876 54.569 2.307 18692 8140 1 20 . 1 1 29 29 GLU CB C 29 31.863 31.863 33.553 -1.690 18692 8141 1 20 . 1 1 29 29 GLU H H 29 8.294 8.294 7.490 0.804 18692 8142 1 20 . 1 1 30 30 VAL N N 30 123.635 123.635 120.292 3.343 18692 8143 1 20 . 1 1 30 30 VAL HA H 30 5.293 5.293 4.714 0.579 18692 8144 1 20 . 1 1 30 30 VAL C C 30 177.201 177.201 175.078 2.123 18692 8145 1 20 . 1 1 30 30 VAL CA C 30 60.562 60.562 60.181 0.381 18692 8146 1 20 . 1 1 30 30 VAL CB C 30 33.419 33.419 34.319 -0.900 18692 8147 1 20 . 1 1 30 30 VAL H H 30 8.067 8.067 8.338 -0.271 18692 8148 1 20 . 1 1 31 31 ALA N N 31 127.391 127.391 130.700 -3.309 18692 8149 1 20 . 1 1 31 31 ALA HA H 31 4.919 4.919 4.959 -0.040 18692 8150 1 20 . 1 1 31 31 ALA C C 31 176.179 176.179 176.085 0.094 18692 8151 1 20 . 1 1 31 31 ALA CA C 31 51.470 51.470 49.929 1.541 18692 8152 1 20 . 1 1 31 31 ALA CB C 31 24.772 24.772 20.908 3.864 18692 8153 1 20 . 1 1 31 31 ALA H H 31 9.086 9.086 8.193 0.893 18692 8154 1 20 . 1 1 32 32 ILE N N 32 118.468 118.468 125.824 -7.356 18692 8155 1 20 . 1 1 32 32 ILE HA H 32 5.102 5.102 4.294 0.808 18692 8156 1 20 . 1 1 32 32 ILE C C 32 176.300 176.300 174.773 1.527 18692 8157 1 20 . 1 1 32 32 ILE CA C 32 59.604 59.604 60.843 -1.239 18692 8158 1 20 . 1 1 32 32 ILE CB C 32 41.416 41.416 38.548 2.868 18692 8159 1 20 . 1 1 32 32 ILE H H 32 8.175 8.175 8.058 0.117 18692 8160 1 20 . 1 1 33 33 PHE N N 33 123.926 123.926 127.668 -3.742 18692 8161 1 20 . 1 1 33 33 PHE HA H 33 5.407 5.407 5.508 -0.101 18692 8162 1 20 . 1 1 33 33 PHE C C 33 176.695 176.695 175.894 0.801 18692 8163 1 20 . 1 1 33 33 PHE CA C 33 56.627 56.627 55.179 1.448 18692 8164 1 20 . 1 1 33 33 PHE CB C 33 41.583 41.583 39.590 1.993 18692 8165 1 20 . 1 1 33 33 PHE H H 33 9.277 9.277 8.901 0.376 18692 8166 1 20 . 1 1 34 34 MET N N 34 120.519 120.519 125.412 -4.893 18692 8167 1 20 . 1 1 34 34 MET HA H 34 5.517 5.517 5.471 0.046 18692 8168 1 20 . 1 1 34 34 MET C C 34 177.123 177.123 174.971 2.152 18692 8169 1 20 . 1 1 34 34 MET CA C 34 53.515 53.515 55.462 -1.947 18692 8170 1 20 . 1 1 34 34 MET CB C 34 36.447 36.447 35.022 1.425 18692 8171 1 20 . 1 1 34 34 MET H H 34 8.606 8.606 8.821 -0.215 18692 8172 1 20 . 1 1 35 35 PHE N N 35 118.119 118.119 121.779 -3.660 18692 8173 1 20 . 1 1 35 35 PHE HA H 35 4.642 4.642 5.189 -0.547 18692 8174 1 20 . 1 1 35 35 PHE C C 35 175.188 175.188 174.153 1.035 18692 8175 1 20 . 1 1 35 35 PHE CA C 35 56.100 56.100 55.811 0.289 18692 8176 1 20 . 1 1 35 35 PHE CB C 35 41.450 41.450 40.679 0.771 18692 8177 1 20 . 1 1 35 35 PHE H H 35 8.832 8.832 8.736 0.096 18692 8178 1 20 . 1 1 36 36 GLU N N 36 120.598 120.598 123.188 -2.590 18692 8179 1 20 . 1 1 36 36 GLU HA H 36 4.890 4.890 4.258 0.632 18692 8180 1 20 . 1 1 36 36 GLU C C 36 179.258 179.258 175.691 3.567 18692 8181 1 20 . 1 1 36 36 GLU CA C 36 57.184 57.184 56.348 0.836 18692 8182 1 20 . 1 1 36 36 GLU CB C 36 30.844 30.844 29.846 0.998 18692 8183 1 20 . 1 1 36 36 GLU H H 36 9.421 9.421 8.857 0.564 18692 8184 1 20 . 1 1 37 37 VAL N N 37 122.817 122.817 120.821 1.996 18692 8185 1 20 . 1 1 37 37 VAL HA H 37 4.230 4.230 4.136 0.094 18692 8186 1 20 . 1 1 37 37 VAL C C 37 176.550 176.550 176.889 -0.339 18692 8187 1 20 . 1 1 37 37 VAL CA C 37 65.923 65.923 62.396 3.527 18692 8188 1 20 . 1 1 37 37 VAL H H 37 9.005 9.005 7.613 1.392 18692 8189 1 20 . 1 1 38 38 GLY N N 38 109.660 109.660 110.674 -1.014 18692 8190 1 20 . 1 1 38 38 GLY C C 38 173.860 173.860 174.836 -0.976 18692 8191 1 20 . 1 1 38 38 GLY CA C 38 44.560 44.560 45.612 -1.052 18692 8192 1 20 . 1 1 38 38 GLY H H 38 8.440 8.440 8.567 -0.127 18692 8193 1 20 . 1 1 39 39 ASP N N 39 119.440 119.440 122.882 -3.442 18692 8194 1 20 . 1 1 39 39 ASP HA H 39 4.910 4.910 4.610 0.300 18692 8195 1 20 . 1 1 39 39 ASP C C 39 177.550 177.550 176.095 1.455 18692 8196 1 20 . 1 1 39 39 ASP CA C 39 54.420 54.420 54.294 0.126 18692 8197 1 20 . 1 1 39 39 ASP CB C 39 37.150 37.150 39.453 -2.303 18692 8198 1 20 . 1 1 39 39 ASP H H 39 8.330 8.330 8.401 -0.071 18692 8199 1 20 . 1 1 40 40 PHE N N 40 123.361 123.361 121.513 1.848 18692 8200 1 20 . 1 1 40 40 PHE HA H 40 4.620 4.620 4.464 0.156 18692 8201 1 20 . 1 1 40 40 PHE CA C 40 56.250 56.250 58.548 -2.298 18692 8202 1 20 . 1 1 40 40 PHE CB C 40 36.150 36.150 38.614 -2.464 18692 8203 1 20 . 1 1 40 40 PHE H H 40 7.949 7.949 7.840 0.109 18692 8204 1 20 . 1 1 41 41 SER N N 41 121.483 121.483 115.456 6.027 18692 8205 1 20 . 1 1 41 41 SER HA H 41 4.492 4.492 3.895 0.597 18692 8206 1 20 . 1 1 41 41 SER C C 41 174.554 174.554 175.871 -1.317 18692 8207 1 20 . 1 1 41 41 SER CA C 41 59.660 59.660 59.513 0.147 18692 8208 1 20 . 1 1 41 41 SER CB C 41 63.220 63.220 62.607 0.613 18692 8209 1 20 . 1 1 41 41 SER H H 41 8.519 8.519 7.688 0.831 18692 8210 1 20 . 1 1 42 42 ASN N N 42 118.920 118.920 118.566 0.354 18692 8211 1 20 . 1 1 42 42 ASN HA H 42 4.910 4.910 4.629 0.281 18692 8212 1 20 . 1 1 42 42 ASN CA C 42 53.490 53.490 54.598 -1.108 18692 8213 1 20 . 1 1 42 42 ASN CB C 42 38.120 38.120 38.200 -0.080 18692 8214 1 20 . 1 1 42 42 ASN H H 42 8.330 8.330 8.213 0.117 18692 8215 1 20 . 1 1 43 43 ILE N N 43 121.540 121.540 121.209 0.331 18692 8216 1 20 . 1 1 43 43 ILE HA H 43 4.180 4.180 3.850 0.330 18692 8217 1 20 . 1 1 43 43 ILE CA C 43 60.110 60.110 66.176 -6.066 18692 8218 1 20 . 1 1 43 43 ILE CB C 43 38.440 38.440 35.076 3.364 18692 8219 1 20 . 1 1 43 43 ILE H H 43 8.293 8.293 7.091 1.202 18692 8220 1 20 . 1 1 44 44 PRO HA H 44 4.461 4.461 4.341 0.120 18692 8221 1 20 . 1 1 44 44 PRO C C 44 176.465 176.465 178.634 -2.169 18692 8222 1 20 . 1 1 44 44 PRO CA C 44 65.358 65.358 65.150 0.208 18692 8223 1 20 . 1 1 44 44 PRO CB C 44 30.441 30.441 31.207 -0.766 18692 8224 1 20 . 1 1 45 45 LYS N N 45 116.236 116.236 118.573 -2.337 18692 8225 1 20 . 1 1 45 45 LYS HA H 45 4.128 4.128 4.065 0.063 18692 8226 1 20 . 1 1 45 45 LYS C C 45 181.467 181.467 178.428 3.039 18692 8227 1 20 . 1 1 45 45 LYS CA C 45 59.712 59.712 58.916 0.796 18692 8228 1 20 . 1 1 45 45 LYS CB C 45 33.281 33.281 32.245 1.036 18692 8229 1 20 . 1 1 45 45 LYS H H 45 7.270 7.270 7.675 -0.405 18692 8230 1 20 . 1 1 46 46 SER N N 46 116.059 116.059 115.464 0.595 18692 8231 1 20 . 1 1 46 46 SER HA H 46 4.080 4.080 4.194 -0.114 18692 8232 1 20 . 1 1 46 46 SER C C 46 177.432 177.432 176.906 0.526 18692 8233 1 20 . 1 1 46 46 SER CA C 46 63.202 63.202 61.296 1.906 18692 8234 1 20 . 1 1 46 46 SER CB C 46 62.118 62.118 62.822 -0.704 18692 8235 1 20 . 1 1 46 46 SER H H 46 8.293 8.293 7.813 0.480 18692 8236 1 20 . 1 1 47 47 ALA N N 47 126.579 126.579 124.176 2.403 18692 8237 1 20 . 1 1 47 47 ALA HA H 47 4.128 4.128 4.338 -0.210 18692 8238 1 20 . 1 1 47 47 ALA C C 47 181.528 181.528 178.100 3.428 18692 8239 1 20 . 1 1 47 47 ALA CA C 47 55.704 55.704 54.452 1.252 18692 8240 1 20 . 1 1 47 47 ALA CB C 47 18.326 18.326 18.244 0.083 18692 8241 1 20 . 1 1 47 47 ALA H H 47 6.990 6.990 7.632 -0.642 18692 8242 1 20 . 1 1 48 48 GLU N N 48 117.980 117.980 117.371 0.609 18692 8243 1 20 . 1 1 48 48 GLU HA H 48 4.062 4.062 3.231 0.831 18692 8244 1 20 . 1 1 48 48 GLU C C 48 180.822 180.822 177.636 3.186 18692 8245 1 20 . 1 1 48 48 GLU CA C 48 59.100 59.100 57.491 1.609 18692 8246 1 20 . 1 1 48 48 GLU CB C 48 29.770 29.770 29.364 0.406 18692 8247 1 20 . 1 1 48 48 GLU H H 48 7.863 7.863 7.339 0.524 18692 8248 1 20 . 1 1 49 49 PHE N N 49 122.179 122.179 117.434 4.745 18692 8249 1 20 . 1 1 49 49 PHE HA H 49 4.117 4.117 4.178 -0.061 18692 8250 1 20 . 1 1 49 49 PHE C C 49 179.580 179.580 176.718 2.862 18692 8251 1 20 . 1 1 49 49 PHE CA C 49 57.813 57.813 60.391 -2.578 18692 8252 1 20 . 1 1 49 49 PHE CB C 49 41.695 41.695 39.142 2.553 18692 8253 1 20 . 1 1 49 49 PHE H H 49 8.341 8.341 7.677 0.664 18692 8254 1 20 . 1 1 50 50 ILE N N 50 117.469 117.469 116.478 0.991 18692 8255 1 20 . 1 1 50 50 ILE HA H 50 3.533 3.533 3.960 -0.427 18692 8256 1 20 . 1 1 50 50 ILE C C 50 179.698 179.698 176.528 3.170 18692 8257 1 20 . 1 1 50 50 ILE CA C 50 62.884 62.884 62.395 0.489 18692 8258 1 20 . 1 1 50 50 ILE CB C 50 36.669 36.669 37.977 -1.308 18692 8259 1 20 . 1 1 50 50 ILE H H 50 8.322 8.322 7.300 1.022 18692 8260 1 20 . 1 1 51 51 GLN N N 51 117.190 117.190 117.752 -0.562 18692 8261 1 20 . 1 1 51 51 GLN HA H 51 4.261 4.261 4.528 -0.267 18692 8262 1 20 . 1 1 51 51 GLN C C 51 182.627 182.627 176.470 6.157 18692 8263 1 20 . 1 1 51 51 GLN CA C 51 58.862 58.862 55.195 3.667 18692 8264 1 20 . 1 1 51 51 GLN CB C 51 28.451 28.451 32.240 -3.789 18692 8265 1 20 . 1 1 51 51 GLN H H 51 7.887 7.887 7.742 0.145 18692 8266 1 20 . 1 1 52 52 SER N N 52 117.670 117.670 121.703 -4.033 18692 8267 1 20 . 1 1 52 52 SER HA H 52 4.137 4.137 4.266 -0.129 18692 8268 1 20 . 1 1 52 52 SER CA C 52 61.401 61.401 61.393 0.008 18692 8269 1 20 . 1 1 52 52 SER CB C 52 62.615 62.615 63.219 -0.604 18692 8270 1 20 . 1 1 52 52 SER H H 52 8.556 8.556 8.869 -0.313 18692 8271 1 20 . 1 1 53 53 LYS N N 53 119.008 119.008 120.162 -1.154 18692 8272 1 20 . 1 1 53 53 LYS HA H 53 4.170 4.170 4.483 -0.313 18692 8273 1 20 . 1 1 53 53 LYS C C 53 177.911 177.911 175.460 2.451 18692 8274 1 20 . 1 1 53 53 LYS CA C 53 54.662 54.662 55.855 -1.193 18692 8275 1 20 . 1 1 53 53 LYS CB C 53 32.652 32.652 32.499 0.153 18692 8276 1 20 . 1 1 53 53 LYS H H 53 7.064 7.064 7.728 -0.664 18692 8277 1 20 . 1 1 54 54 GLY N N 54 105.188 105.188 107.964 -2.776 18692 8278 1 20 . 1 1 54 54 GLY C C 54 175.528 175.528 173.313 2.215 18692 8279 1 20 . 1 1 54 54 GLY CA C 54 45.118 45.118 45.477 -0.359 18692 8280 1 20 . 1 1 54 54 GLY H H 54 7.548 7.548 8.194 -0.646 18692 8281 1 20 . 1 1 55 55 HIS N N 55 118.294 118.294 119.222 -0.928 18692 8282 1 20 . 1 1 55 55 HIS HA H 55 4.947 4.947 5.058 -0.111 18692 8283 1 20 . 1 1 55 55 HIS C C 55 175.240 175.240 173.764 1.476 18692 8284 1 20 . 1 1 55 55 HIS CA C 55 54.847 54.847 53.638 1.209 18692 8285 1 20 . 1 1 55 55 HIS CB C 55 31.315 31.315 30.177 1.137 18692 8286 1 20 . 1 1 55 55 HIS H H 55 6.998 6.998 7.653 -0.655 18692 8287 1 20 . 1 1 56 56 GLU N N 56 118.205 118.205 125.179 -6.974 18692 8288 1 20 . 1 1 56 56 GLU HA H 56 4.666 4.666 4.486 0.180 18692 8289 1 20 . 1 1 56 56 GLU C C 56 176.766 176.766 174.863 1.903 18692 8290 1 20 . 1 1 56 56 GLU CA C 56 55.162 55.162 54.707 0.455 18692 8291 1 20 . 1 1 56 56 GLU CB C 56 33.110 33.110 32.095 1.015 18692 8292 1 20 . 1 1 56 56 GLU H H 56 8.509 8.509 8.140 0.369 18692 8293 1 20 . 1 1 57 57 LEU N N 57 127.769 127.769 127.396 0.373 18692 8294 1 20 . 1 1 57 57 LEU HA H 57 4.786 4.786 4.836 -0.050 18692 8295 1 20 . 1 1 57 57 LEU C C 57 177.854 177.854 177.584 0.270 18692 8296 1 20 . 1 1 57 57 LEU CA C 57 53.780 53.780 53.664 0.116 18692 8297 1 20 . 1 1 57 57 LEU CB C 57 42.676 42.676 40.476 2.200 18692 8298 1 20 . 1 1 57 57 LEU H H 57 8.978 8.978 8.849 0.129 18692 8299 1 20 . 1 1 58 58 LEU N N 58 128.364 128.364 125.058 3.306 18692 8300 1 20 . 1 1 58 58 LEU HA H 58 4.402 4.402 4.011 0.391 18692 8301 1 20 . 1 1 58 58 LEU C C 58 179.469 179.469 177.294 2.175 18692 8302 1 20 . 1 1 58 58 LEU CA C 58 56.534 56.534 57.697 -1.163 18692 8303 1 20 . 1 1 58 58 LEU CB C 58 42.371 42.371 42.656 -0.285 18692 8304 1 20 . 1 1 58 58 LEU H H 58 9.128 9.128 7.930 1.198 18692 8305 1 20 . 1 1 59 59 ASN N N 59 113.622 113.622 114.726 -1.104 18692 8306 1 20 . 1 1 59 59 ASN HA H 59 4.918 4.918 4.862 0.056 18692 8307 1 20 . 1 1 59 59 ASN C C 59 175.560 175.560 174.364 1.196 18692 8308 1 20 . 1 1 59 59 ASN CA C 59 52.389 52.389 52.364 0.025 18692 8309 1 20 . 1 1 59 59 ASN CB C 59 41.887 41.887 40.422 1.465 18692 8310 1 20 . 1 1 59 59 ASN H H 59 7.574 7.574 7.989 -0.415 18692 8311 1 20 . 1 1 60 60 SER N N 60 118.134 118.134 120.574 -2.440 18692 8312 1 20 . 1 1 60 60 SER HA H 60 4.045 4.045 4.334 -0.289 18692 8313 1 20 . 1 1 60 60 SER CA C 60 56.925 56.925 58.357 -1.432 18692 8314 1 20 . 1 1 60 60 SER CB C 60 63.649 63.649 64.199 -0.550 18692 8315 1 20 . 1 1 60 60 SER H H 60 8.436 8.436 8.552 -0.116 18692 8316 1 20 . 1 1 61 61 LEU N N 61 128.266 128.266 120.216 8.050 18692 8317 1 20 . 1 1 61 61 LEU HA H 61 4.219 4.219 4.788 -0.569 18692 8318 1 20 . 1 1 61 61 LEU CA C 61 55.106 55.106 55.326 -0.220 18692 8319 1 20 . 1 1 61 61 LEU CB C 61 44.577 44.577 42.609 1.968 18692 8320 1 20 . 1 1 61 61 LEU H H 61 8.725 8.725 8.211 0.514 18692 8321 1 20 . 1 1 62 62 ARG N N 62 122.383 122.383 124.258 -1.875 18692 8322 1 20 . 1 1 62 62 ARG HA H 62 4.312 4.312 4.277 0.035 18692 8323 1 20 . 1 1 62 62 ARG C C 62 176.560 176.560 176.072 0.488 18692 8324 1 20 . 1 1 62 62 ARG CA C 62 57.290 57.290 54.239 3.051 18692 8325 1 20 . 1 1 62 62 ARG CB C 62 30.828 30.828 27.712 3.116 18692 8326 1 20 . 1 1 62 62 ARG H H 62 7.303 7.303 9.049 -1.746 18692 8327 1 20 . 1 1 63 63 PHE N N 63 120.560 120.560 122.066 -1.506 18692 8328 1 20 . 1 1 63 63 PHE HA H 63 4.613 4.613 4.401 0.212 18692 8329 1 20 . 1 1 63 63 PHE CA C 63 61.377 61.377 58.705 2.672 18692 8330 1 20 . 1 1 63 63 PHE CB C 63 39.908 39.908 38.707 1.201 18692 8331 1 20 . 1 1 63 63 PHE H H 63 8.321 8.321 7.904 0.417 18692 8332 1 20 . 1 1 64 64 ASN N N 64 117.616 117.616 116.866 0.750 18692 8333 1 20 . 1 1 64 64 ASN HA H 64 4.377 4.377 3.896 0.481 18692 8334 1 20 . 1 1 64 64 ASN C C 64 176.642 176.642 175.663 0.979 18692 8335 1 20 . 1 1 64 64 ASN CA C 64 53.465 53.465 54.738 -1.273 18692 8336 1 20 . 1 1 64 64 ASN CB C 64 37.450 37.450 37.984 -0.534 18692 8337 1 20 . 1 1 64 64 ASN H H 64 8.101 8.101 7.849 0.252 18692 8338 1 20 . 1 1 65 65 GLN N N 65 115.548 115.548 117.968 -2.420 18692 8339 1 20 . 1 1 65 65 GLN HA H 65 4.275 4.275 4.391 -0.116 18692 8340 1 20 . 1 1 65 65 GLN C C 65 178.411 178.411 174.830 3.581 18692 8341 1 20 . 1 1 65 65 GLN CA C 65 59.127 59.127 54.661 4.466 18692 8342 1 20 . 1 1 65 65 GLN CB C 65 28.650 28.650 30.294 -1.645 18692 8343 1 20 . 1 1 65 65 GLN H H 65 8.330 8.330 7.164 1.166 18692 8344 1 20 . 1 1 66 66 ALA N N 66 120.802 120.802 122.308 -1.506 18692 8345 1 20 . 1 1 66 66 ALA HA H 66 4.652 4.652 4.230 0.422 18692 8346 1 20 . 1 1 66 66 ALA C C 66 178.893 178.893 177.136 1.757 18692 8347 1 20 . 1 1 66 66 ALA CA C 66 52.751 52.751 52.518 0.233 18692 8348 1 20 . 1 1 66 66 ALA CB C 66 21.705 21.705 19.415 2.290 18692 8349 1 20 . 1 1 66 66 ALA H H 66 8.346 8.346 8.280 0.066 18692 8350 1 20 . 1 1 67 67 ASP N N 67 118.909 118.909 118.737 0.172 18692 8351 1 20 . 1 1 67 67 ASP HA H 67 4.612 4.612 4.378 0.234 18692 8352 1 20 . 1 1 67 67 ASP C C 67 175.639 175.639 175.490 0.149 18692 8353 1 20 . 1 1 67 67 ASP CA C 67 54.726 54.726 54.730 -0.004 18692 8354 1 20 . 1 1 67 67 ASP CB C 67 45.152 45.152 39.917 5.235 18692 8355 1 20 . 1 1 67 67 ASP H H 67 8.117 8.117 8.276 -0.159 18692 8356 1 20 . 1 1 68 68 TRP HA H 68 4.477 4.477 4.844 -0.367 18692 8357 1 20 . 1 1 68 68 TRP CA C 68 56.253 56.253 55.662 0.591 18692 8358 1 20 . 1 1 68 68 TRP CB C 68 33.719 33.719 33.401 0.318 18692 8359 1 20 . 1 1 68 68 TRP H H 68 8.310 8.310 7.387 0.923 18692 8360 1 20 . 1 1 69 69 THR N N 69 114.495 114.495 110.757 3.738 18692 8361 1 20 . 1 1 69 69 THR HA H 69 5.605 5.605 4.872 0.733 18692 8362 1 20 . 1 1 69 69 THR C C 69 176.005 176.005 173.257 2.748 18692 8363 1 20 . 1 1 69 69 THR CA C 69 58.855 58.855 61.279 -2.424 18692 8364 1 20 . 1 1 69 69 THR CB C 69 72.755 72.755 70.773 1.982 18692 8365 1 20 . 1 1 69 69 THR H H 69 7.985 7.985 8.211 -0.226 18692 8366 1 20 . 1 1 70 70 ILE N N 70 114.448 114.448 126.056 -11.608 18692 8367 1 20 . 1 1 70 70 ILE HA H 70 5.384 5.384 4.716 0.668 18692 8368 1 20 . 1 1 70 70 ILE C C 70 175.751 175.751 173.981 1.770 18692 8369 1 20 . 1 1 70 70 ILE CA C 70 59.637 59.637 58.884 0.753 18692 8370 1 20 . 1 1 70 70 ILE CB C 70 41.689 41.689 41.871 -0.182 18692 8371 1 20 . 1 1 70 70 ILE H H 70 8.807 8.807 8.350 0.457 18692 8372 1 20 . 1 1 71 71 VAL N N 71 124.084 124.084 126.616 -2.532 18692 8373 1 20 . 1 1 71 71 VAL HA H 71 5.012 5.012 4.612 0.400 18692 8374 1 20 . 1 1 71 71 VAL C C 71 177.625 177.625 174.583 3.042 18692 8375 1 20 . 1 1 71 71 VAL CA C 71 61.647 61.647 60.650 0.997 18692 8376 1 20 . 1 1 71 71 VAL CB C 71 32.482 32.482 32.482 -0.000 18692 8377 1 20 . 1 1 71 71 VAL H H 71 8.500 8.500 8.492 0.008 18692 8378 1 20 . 1 1 72 72 VAL N N 72 127.753 127.753 124.545 3.208 18692 8379 1 20 . 1 1 72 72 VAL HA H 72 5.147 5.147 4.664 0.483 18692 8380 1 20 . 1 1 72 72 VAL C C 72 175.444 175.444 175.192 0.252 18692 8381 1 20 . 1 1 72 72 VAL CA C 72 60.252 60.252 60.470 -0.218 18692 8382 1 20 . 1 1 72 72 VAL CB C 72 37.425 37.425 34.005 3.420 18692 8383 1 20 . 1 1 72 72 VAL H H 72 9.280 9.280 8.320 0.960 18692 8384 1 20 . 1 1 73 73 ARG N N 73 125.839 125.839 126.653 -0.814 18692 8385 1 20 . 1 1 73 73 ARG HA H 73 5.458 5.458 5.246 0.212 18692 8386 1 20 . 1 1 73 73 ARG C C 73 177.981 177.981 176.283 1.698 18692 8387 1 20 . 1 1 73 73 ARG CA C 73 53.788 53.788 54.038 -0.250 18692 8388 1 20 . 1 1 73 73 ARG CB C 73 33.855 33.855 30.941 2.914 18692 8389 1 20 . 1 1 73 73 ARG H H 73 9.194 9.194 8.818 0.376 18692 8390 1 20 . 1 1 74 74 LYS N N 74 129.522 129.522 126.280 3.242 18692 8391 1 20 . 1 1 74 74 LYS HA H 74 4.323 4.323 4.612 -0.288 18692 8392 1 20 . 1 1 74 74 LYS C C 74 178.340 178.340 176.590 1.750 18692 8393 1 20 . 1 1 74 74 LYS CA C 74 55.983 55.983 57.605 -1.623 18692 8394 1 20 . 1 1 74 74 LYS CB C 74 33.103 33.103 33.670 -0.567 18692 8395 1 20 . 1 1 74 74 LYS H H 74 10.930 10.930 8.166 2.764 18692 8396 1 20 . 1 1 75 75 LYS N N 75 131.817 131.817 118.519 13.298 18692 8397 1 20 . 1 1 75 75 LYS HA H 75 4.489 4.489 4.649 -0.160 18692 8398 1 20 . 1 1 75 75 LYS CA C 75 55.927 55.927 55.746 0.181 18692 8399 1 20 . 1 1 75 75 LYS CB C 75 29.730 29.730 36.642 -6.912 18692 8400 1 20 . 1 1 75 75 LYS H H 75 10.873 10.873 7.889 2.984 18692 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 70 3.725 0.218 3.746 18692 2 1 1 "Average Difference" HA 76 0.405 -0.059 0.403 18692 3 1 1 "Average Difference" C 64 2.442 -1.869 1.584 18692 4 1 1 "Average Difference" CA 74 1.850 -0.132 1.858 18692 5 1 1 "Average Difference" CB 70 1.812 -0.440 1.771 18692 6 1 1 "Average Difference" HN 71 0.768 -0.263 0.727 18692 7 1 2 "Average Difference" N 70 3.890 0.468 3.889 18692 8 1 2 "Average Difference" HA 76 0.401 -0.073 0.397 18692 9 1 2 "Average Difference" C 64 2.394 -1.857 1.523 18692 10 1 2 "Average Difference" CA 74 1.821 -0.224 1.820 18692 11 1 2 "Average Difference" CB 70 1.884 -0.449 1.843 18692 12 1 2 "Average Difference" HN 71 0.786 -0.303 0.731 18692 13 1 3 "Average Difference" N 70 3.985 0.693 3.952 18692 14 1 3 "Average Difference" HA 76 0.392 -0.060 0.390 18692 15 1 3 "Average Difference" C 64 2.425 -1.905 1.512 18692 16 1 3 "Average Difference" CA 74 1.849 -0.253 1.844 18692 17 1 3 "Average Difference" CB 70 1.872 -0.377 1.847 18692 18 1 3 "Average Difference" HN 71 0.769 -0.264 0.728 18692 19 1 4 "Average Difference" N 70 4.102 0.565 4.092 18692 20 1 4 "Average Difference" HA 76 0.386 -0.074 0.381 18692 21 1 4 "Average Difference" C 64 2.360 -1.856 1.470 18692 22 1 4 "Average Difference" CA 74 1.855 -0.187 1.858 18692 23 1 4 "Average Difference" CB 70 1.879 -0.452 1.837 18692 24 1 4 "Average Difference" HN 71 0.766 -0.274 0.720 18692 25 1 5 "Average Difference" N 70 4.259 0.419 4.269 18692 26 1 5 "Average Difference" HA 76 0.406 -0.055 0.405 18692 27 1 5 "Average Difference" C 64 2.392 -1.832 1.550 18692 28 1 5 "Average Difference" CA 74 1.909 -0.204 1.911 18692 29 1 5 "Average Difference" CB 70 1.941 -0.451 1.901 18692 30 1 5 "Average Difference" HN 71 0.784 -0.266 0.743 18692 31 1 6 "Average Difference" N 70 3.880 0.419 3.885 18692 32 1 6 "Average Difference" HA 76 0.396 -0.073 0.392 18692 33 1 6 "Average Difference" C 64 2.333 -1.802 1.494 18692 34 1 6 "Average Difference" CA 74 1.810 -0.173 1.814 18692 35 1 6 "Average Difference" CB 70 1.813 -0.479 1.761 18692 36 1 6 "Average Difference" HN 71 0.765 -0.258 0.726 18692 37 1 7 "Average Difference" N 70 3.943 0.182 3.967 18692 38 1 7 "Average Difference" HA 76 0.373 -0.077 0.367 18692 39 1 7 "Average Difference" C 64 2.457 -1.921 1.544 18692 40 1 7 "Average Difference" CA 74 1.873 -0.233 1.871 18692 41 1 7 "Average Difference" CB 70 1.848 -0.390 1.820 18692 42 1 7 "Average Difference" HN 71 0.780 -0.280 0.734 18692 43 1 8 "Average Difference" N 70 4.028 0.308 4.045 18692 44 1 8 "Average Difference" HA 76 0.399 -0.072 0.395 18692 45 1 8 "Average Difference" C 64 2.420 -1.862 1.558 18692 46 1 8 "Average Difference" CA 74 1.933 -0.251 1.930 18692 47 1 8 "Average Difference" CB 70 2.005 -0.454 1.967 18692 48 1 8 "Average Difference" HN 71 0.785 -0.310 0.726 18692 49 1 9 "Average Difference" N 70 3.731 0.330 3.743 18692 50 1 9 "Average Difference" HA 76 0.402 -0.076 0.397 18692 51 1 9 "Average Difference" C 64 2.370 -1.859 1.483 18692 52 1 9 "Average Difference" CA 74 1.854 -0.255 1.849 18692 53 1 9 "Average Difference" CB 70 1.904 -0.407 1.874 18692 54 1 9 "Average Difference" HN 71 0.834 -0.300 0.783 18692 55 1 10 "Average Difference" N 70 4.109 0.294 4.128 18692 56 1 10 "Average Difference" HA 76 0.377 -0.074 0.372 18692 57 1 10 "Average Difference" C 64 2.429 -1.902 1.522 18692 58 1 10 "Average Difference" CA 74 1.882 -0.261 1.876 18692 59 1 10 "Average Difference" CB 70 1.902 -0.453 1.861 18692 60 1 10 "Average Difference" HN 71 0.798 -0.302 0.744 18692 61 1 11 "Average Difference" N 70 4.005 0.247 4.026 18692 62 1 11 "Average Difference" HA 76 0.404 -0.057 0.402 18692 63 1 11 "Average Difference" C 64 2.362 -1.852 1.477 18692 64 1 11 "Average Difference" CA 74 1.816 -0.213 1.816 18692 65 1 11 "Average Difference" CB 70 1.878 -0.318 1.864 18692 66 1 11 "Average Difference" HN 71 0.769 -0.292 0.716 18692 67 1 12 "Average Difference" N 70 4.108 0.537 4.102 18692 68 1 12 "Average Difference" HA 76 0.410 -0.078 0.405 18692 69 1 12 "Average Difference" C 64 2.394 -1.886 1.486 18692 70 1 12 "Average Difference" CA 74 1.851 -0.268 1.844 18692 71 1 12 "Average Difference" CB 70 1.852 -0.431 1.814 18692 72 1 12 "Average Difference" HN 71 0.815 -0.316 0.756 18692 73 1 13 "Average Difference" N 70 3.826 0.248 3.846 18692 74 1 13 "Average Difference" HA 76 0.396 -0.058 0.395 18692 75 1 13 "Average Difference" C 64 2.356 -1.845 1.477 18692 76 1 13 "Average Difference" CA 74 1.769 -0.263 1.761 18692 77 1 13 "Average Difference" CB 70 1.965 -0.369 1.944 18692 78 1 13 "Average Difference" HN 71 0.785 -0.292 0.734 18692 79 1 14 "Average Difference" N 70 4.053 -0.027 4.083 18692 80 1 14 "Average Difference" HA 76 0.409 -0.073 0.405 18692 81 1 14 "Average Difference" C 64 2.383 -1.864 1.496 18692 82 1 14 "Average Difference" CA 74 1.863 -0.167 1.868 18692 83 1 14 "Average Difference" CB 70 2.008 -0.551 1.945 18692 84 1 14 "Average Difference" HN 71 0.808 -0.317 0.748 18692 85 1 15 "Average Difference" N 70 3.841 0.262 3.859 18692 86 1 15 "Average Difference" HA 76 0.417 -0.022 0.419 18692 87 1 15 "Average Difference" C 64 2.442 -1.922 1.519 18692 88 1 15 "Average Difference" CA 74 1.848 -0.298 1.836 18692 89 1 15 "Average Difference" CB 70 1.836 -0.297 1.825 18692 90 1 15 "Average Difference" HN 71 0.794 -0.273 0.751 18692 91 1 16 "Average Difference" N 70 4.085 0.354 4.099 18692 92 1 16 "Average Difference" HA 76 0.415 -0.096 0.407 18692 93 1 16 "Average Difference" C 64 2.440 -1.896 1.548 18692 94 1 16 "Average Difference" CA 74 1.929 -0.178 1.934 18692 95 1 16 "Average Difference" CB 70 1.960 -0.467 1.917 18692 96 1 16 "Average Difference" HN 71 0.784 -0.308 0.726 18692 97 1 17 "Average Difference" N 70 3.978 0.163 4.004 18692 98 1 17 "Average Difference" HA 76 0.372 -0.052 0.370 18692 99 1 17 "Average Difference" C 64 2.428 -1.903 1.519 18692 100 1 17 "Average Difference" CA 74 1.982 -0.268 1.978 18692 101 1 17 "Average Difference" CB 70 1.872 -0.419 1.838 18692 102 1 17 "Average Difference" HN 71 0.791 -0.304 0.735 18692 103 1 18 "Average Difference" N 70 3.831 0.229 3.852 18692 104 1 18 "Average Difference" HA 76 0.416 -0.095 0.407 18692 105 1 18 "Average Difference" C 64 2.396 -1.871 1.509 18692 106 1 18 "Average Difference" CA 74 1.830 -0.198 1.832 18692 107 1 18 "Average Difference" CB 70 1.792 -0.477 1.740 18692 108 1 18 "Average Difference" HN 71 0.800 -0.285 0.753 18692 109 1 19 "Average Difference" N 70 3.943 0.353 3.956 18692 110 1 19 "Average Difference" HA 76 0.408 -0.079 0.403 18692 111 1 19 "Average Difference" C 64 2.417 -1.902 1.503 18692 112 1 19 "Average Difference" CA 74 1.936 -0.264 1.931 18692 113 1 19 "Average Difference" CB 70 1.868 -0.463 1.822 18692 114 1 19 "Average Difference" HN 71 0.746 -0.277 0.698 18692 115 1 20 "Average Difference" N 70 3.861 0.355 3.873 18692 116 1 20 "Average Difference" HA 76 0.407 -0.032 0.409 18692 117 1 20 "Average Difference" C 64 2.383 -1.836 1.532 18692 118 1 20 "Average Difference" CA 74 1.869 -0.274 1.861 18692 119 1 20 "Average Difference" CB 70 1.952 -0.409 1.922 18692 120 1 20 "Average Difference" HN 71 0.801 -0.319 0.740 18692 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 18692 _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 LYS N N 2 127.399 127.399 119.878 7.521 18692 2 1 . 1 1 2 2 LYS HA H 2 3.954 3.954 4.532 -0.578 18692 3 1 . 1 1 2 2 LYS C C 2 175.826 175.826 174.703 1.123 18692 4 1 . 1 1 2 2 LYS CA C 2 57.475 57.475 56.243 1.232 18692 5 1 . 1 1 2 2 LYS CB C 2 34.009 34.009 32.528 1.481 18692 6 1 . 1 1 2 2 LYS H H 2 9.167 9.167 8.371 0.796 18692 7 1 . 1 1 3 3 ARG N N 3 121.207 121.207 118.044 3.163 18692 8 1 . 1 1 3 3 ARG HA H 3 4.797 4.797 4.818 -0.021 18692 9 1 . 1 1 3 3 ARG C C 3 176.719 176.719 174.324 2.395 18692 10 1 . 1 1 3 3 ARG CA C 3 54.082 54.082 55.186 -1.104 18692 11 1 . 1 1 3 3 ARG CB C 3 32.816 32.816 32.873 -0.057 18692 12 1 . 1 1 3 3 ARG H H 3 7.705 7.705 7.719 -0.014 18692 13 1 . 1 1 4 4 PHE N N 4 124.380 124.380 121.047 3.333 18692 14 1 . 1 1 4 4 PHE HA H 4 4.729 4.729 4.833 -0.104 18692 15 1 . 1 1 4 4 PHE C C 4 176.180 176.180 174.012 2.168 18692 16 1 . 1 1 4 4 PHE CA C 4 56.584 56.584 57.161 -0.577 18692 17 1 . 1 1 4 4 PHE CB C 4 41.758 41.758 42.745 -0.987 18692 18 1 . 1 1 4 4 PHE H H 4 8.913 8.913 9.490 -0.577 18692 19 1 . 1 1 5 5 ASP N N 5 123.331 123.331 128.225 -4.894 18692 20 1 . 1 1 5 5 ASP HA H 5 4.390 4.390 4.882 -0.492 18692 21 1 . 1 1 5 5 ASP C C 5 177.524 177.524 175.566 1.958 18692 22 1 . 1 1 5 5 ASP CA C 5 53.344 53.344 54.280 -0.936 18692 23 1 . 1 1 5 5 ASP CB C 5 41.043 41.043 41.048 -0.005 18692 24 1 . 1 1 5 5 ASP H H 5 9.113 9.113 8.617 0.496 18692 25 1 . 1 1 6 6 LEU N N 6 122.540 122.540 124.647 -2.107 18692 26 1 . 1 1 6 6 LEU HA H 6 4.304 4.304 4.473 -0.169 18692 27 1 . 1 1 6 6 LEU CA C 6 55.260 55.260 54.407 0.853 18692 28 1 . 1 1 6 6 LEU CB C 6 42.680 42.680 41.815 0.865 18692 29 1 . 1 1 6 6 LEU H H 6 8.305 8.305 8.466 -0.161 18692 30 1 . 1 1 7 7 ARG N N 7 121.715 121.715 122.054 -0.339 18692 31 1 . 1 1 7 7 ARG HA H 7 4.156 4.156 4.101 0.055 18692 32 1 . 1 1 7 7 ARG C C 7 177.664 177.664 175.590 2.074 18692 33 1 . 1 1 7 7 ARG CA C 7 56.463 56.463 60.455 -3.992 18692 34 1 . 1 1 7 7 ARG CB C 7 29.315 29.315 28.558 0.757 18692 35 1 . 1 1 7 7 ARG H H 7 8.293 8.293 8.181 0.112 18692 36 1 . 1 1 8 8 PRO HA H 8 4.365 4.365 4.336 0.029 18692 37 1 . 1 1 8 8 PRO C C 8 178.886 178.886 176.580 2.306 18692 38 1 . 1 1 8 8 PRO CA C 8 65.193 65.193 63.456 1.737 18692 39 1 . 1 1 8 8 PRO CB C 8 31.566 31.566 31.626 -0.060 18692 40 1 . 1 1 9 9 LEU N N 9 114.107 114.107 120.953 -6.846 18692 41 1 . 1 1 9 9 LEU HA H 9 4.175 4.175 4.336 -0.161 18692 42 1 . 1 1 9 9 LEU C C 9 178.897 178.897 176.189 2.708 18692 43 1 . 1 1 9 9 LEU CA C 9 54.878 54.878 54.700 0.178 18692 44 1 . 1 1 9 9 LEU CB C 9 41.222 41.222 43.291 -2.069 18692 45 1 . 1 1 9 9 LEU H H 9 7.310 7.310 7.292 0.018 18692 46 1 . 1 1 10 10 LYS N N 10 116.563 116.563 121.213 -4.650 18692 47 1 . 1 1 10 10 LYS HA H 10 3.823 3.823 4.238 -0.415 18692 48 1 . 1 1 10 10 LYS C C 10 178.805 178.805 175.600 3.205 18692 49 1 . 1 1 10 10 LYS CA C 10 57.693 57.693 55.605 2.088 18692 50 1 . 1 1 10 10 LYS CB C 10 34.124 34.124 33.248 0.876 18692 51 1 . 1 1 10 10 LYS H H 10 8.132 8.132 8.006 0.126 18692 52 1 . 1 1 11 11 ALA N N 11 124.134 124.134 122.897 1.236 18692 53 1 . 1 1 11 11 ALA HA H 11 4.399 4.399 3.976 0.423 18692 54 1 . 1 1 11 11 ALA C C 11 178.877 178.877 178.274 0.603 18692 55 1 . 1 1 11 11 ALA CA C 11 53.292 53.292 52.786 0.506 18692 56 1 . 1 1 11 11 ALA CB C 11 19.310 19.310 18.733 0.577 18692 57 1 . 1 1 11 11 ALA H H 11 8.239 8.239 8.237 0.002 18692 58 1 . 1 1 12 12 GLY N N 12 108.661 108.661 110.800 -2.139 18692 59 1 . 1 1 12 12 GLY C C 12 178.614 178.614 175.172 3.442 18692 60 1 . 1 1 12 12 GLY CA C 12 47.640 47.640 45.778 1.862 18692 61 1 . 1 1 12 12 GLY H H 12 8.186 8.186 9.031 -0.845 18692 62 1 . 1 1 13 13 ILE N N 13 123.465 123.465 123.305 0.160 18692 63 1 . 1 1 13 13 ILE HA H 13 4.150 4.150 4.253 -0.103 18692 64 1 . 1 1 13 13 ILE C C 13 177.234 177.234 176.847 0.387 18692 65 1 . 1 1 13 13 ILE CA C 13 60.500 60.500 62.418 -1.918 18692 66 1 . 1 1 13 13 ILE CB C 13 36.970 36.970 38.678 -1.708 18692 67 1 . 1 1 13 13 ILE H H 13 8.309 8.309 7.423 0.886 18692 68 1 . 1 1 14 14 PHE N N 14 119.560 119.560 120.275 -0.715 18692 69 1 . 1 1 14 14 PHE HA H 14 3.354 3.354 4.164 -0.810 18692 70 1 . 1 1 14 14 PHE C C 14 179.301 179.301 176.659 2.642 18692 71 1 . 1 1 14 14 PHE CA C 14 63.883 63.883 61.153 2.730 18692 72 1 . 1 1 14 14 PHE CB C 14 37.608 37.608 37.903 -0.295 18692 73 1 . 1 1 14 14 PHE H H 14 7.801 7.801 8.081 -0.280 18692 74 1 . 1 1 15 15 GLU N N 15 121.567 121.567 119.517 2.050 18692 75 1 . 1 1 15 15 GLU HA H 15 4.260 4.260 3.458 0.802 18692 76 1 . 1 1 15 15 GLU C C 15 181.428 181.428 177.323 4.105 18692 77 1 . 1 1 15 15 GLU CA C 15 60.579 60.579 57.833 2.746 18692 78 1 . 1 1 15 15 GLU CB C 15 28.158 28.158 28.802 -0.644 18692 79 1 . 1 1 15 15 GLU H H 15 8.331 8.331 8.192 0.139 18692 80 1 . 1 1 16 16 ARG N N 16 121.602 121.602 119.125 2.477 18692 81 1 . 1 1 16 16 ARG HA H 16 4.104 4.104 3.780 0.324 18692 82 1 . 1 1 16 16 ARG C C 16 179.418 179.418 178.790 0.628 18692 83 1 . 1 1 16 16 ARG CA C 16 56.877 56.877 58.599 -1.722 18692 84 1 . 1 1 16 16 ARG CB C 16 29.397 29.397 30.087 -0.689 18692 85 1 . 1 1 16 16 ARG H H 16 8.240 8.240 7.443 0.797 18692 86 1 . 1 1 17 17 LEU N N 17 119.769 119.769 119.974 -0.205 18692 87 1 . 1 1 17 17 LEU HA H 17 3.619 3.619 4.104 -0.484 18692 88 1 . 1 1 17 17 LEU C C 17 179.136 179.136 177.907 1.229 18692 89 1 . 1 1 17 17 LEU CA C 17 59.104 59.104 56.673 2.431 18692 90 1 . 1 1 17 17 LEU CB C 17 42.770 42.770 41.400 1.370 18692 91 1 . 1 1 17 17 LEU H H 17 8.134 8.134 8.416 -0.282 18692 92 1 . 1 1 18 18 GLU N N 18 115.547 115.547 118.321 -2.774 18692 93 1 . 1 1 18 18 GLU HA H 18 3.889 3.889 3.338 0.551 18692 94 1 . 1 1 18 18 GLU C C 18 179.643 179.643 178.139 1.504 18692 95 1 . 1 1 18 18 GLU CA C 18 59.929 59.929 59.476 0.453 18692 96 1 . 1 1 18 18 GLU CB C 18 29.170 29.170 28.896 0.273 18692 97 1 . 1 1 18 18 GLU H H 18 7.674 7.674 7.635 0.039 18692 98 1 . 1 1 19 19 GLU N N 19 119.211 119.211 118.722 0.489 18692 99 1 . 1 1 19 19 GLU HA H 19 4.047 4.047 4.019 0.028 18692 100 1 . 1 1 19 19 GLU C C 19 180.374 180.374 178.118 2.256 18692 101 1 . 1 1 19 19 GLU CA C 19 59.441 59.441 58.312 1.129 18692 102 1 . 1 1 19 19 GLU CB C 19 30.269 30.269 29.495 0.774 18692 103 1 . 1 1 19 19 GLU H H 19 7.782 7.782 7.374 0.408 18692 104 1 . 1 1 20 20 LEU N N 20 119.264 119.264 120.152 -0.888 18692 105 1 . 1 1 20 20 LEU HA H 20 3.761 3.761 3.959 -0.198 18692 106 1 . 1 1 20 20 LEU C C 20 181.666 181.666 178.799 2.867 18692 107 1 . 1 1 20 20 LEU CA C 20 57.862 57.862 57.719 0.143 18692 108 1 . 1 1 20 20 LEU CB C 20 42.111 42.111 42.051 0.060 18692 109 1 . 1 1 20 20 LEU H H 20 8.507 8.507 7.362 1.145 18692 110 1 . 1 1 21 21 ILE N N 21 117.879 117.879 117.707 0.172 18692 111 1 . 1 1 21 21 ILE HA H 21 3.697 3.697 3.826 -0.129 18692 112 1 . 1 1 21 21 ILE C C 21 181.696 181.696 177.006 4.690 18692 113 1 . 1 1 21 21 ILE CA C 21 65.174 65.174 62.034 3.140 18692 114 1 . 1 1 21 21 ILE CB C 21 38.420 38.420 37.822 0.598 18692 115 1 . 1 1 21 21 ILE H H 21 7.750 7.750 7.050 0.700 18692 116 1 . 1 1 22 22 GLU N N 22 116.656 116.656 120.048 -3.392 18692 117 1 . 1 1 22 22 GLU HA H 22 3.891 3.891 3.956 -0.065 18692 118 1 . 1 1 22 22 GLU C C 22 180.424 180.424 178.204 2.220 18692 119 1 . 1 1 22 22 GLU CA C 22 59.864 59.864 59.263 0.601 18692 120 1 . 1 1 22 22 GLU CB C 22 30.047 30.047 29.147 0.900 18692 121 1 . 1 1 22 22 GLU H H 22 8.203 8.203 7.551 0.652 18692 122 1 . 1 1 23 23 LYS N N 23 113.426 113.426 117.114 -3.689 18692 123 1 . 1 1 23 23 LYS HA H 23 4.392 4.392 4.095 0.297 18692 124 1 . 1 1 23 23 LYS C C 23 180.639 180.639 178.172 2.467 18692 125 1 . 1 1 23 23 LYS CA C 23 57.952 57.952 58.668 -0.716 18692 126 1 . 1 1 23 23 LYS CB C 23 34.655 34.655 32.406 2.249 18692 127 1 . 1 1 23 23 LYS H H 23 8.713 8.713 7.403 1.310 18692 128 1 . 1 1 24 24 GLU N N 24 115.943 115.943 117.510 -1.567 18692 129 1 . 1 1 24 24 GLU HA H 24 4.730 4.730 4.189 0.541 18692 130 1 . 1 1 24 24 GLU C C 24 177.407 177.407 177.161 0.246 18692 131 1 . 1 1 24 24 GLU CA C 24 56.241 56.241 57.110 -0.870 18692 132 1 . 1 1 24 24 GLU CB C 24 30.664 30.664 30.373 0.291 18692 133 1 . 1 1 24 24 GLU H H 24 8.225 8.225 7.694 0.531 18692 134 1 . 1 1 25 25 MET N N 25 115.075 115.075 118.195 -3.120 18692 135 1 . 1 1 25 25 MET HA H 25 4.832 4.832 4.340 0.492 18692 136 1 . 1 1 25 25 MET C C 25 177.286 177.286 176.186 1.100 18692 137 1 . 1 1 25 25 MET CA C 25 55.022 55.022 55.141 -0.119 18692 138 1 . 1 1 25 25 MET CB C 25 37.416 37.416 32.624 4.792 18692 139 1 . 1 1 25 25 MET H H 25 6.860 6.860 7.426 -0.567 18692 140 1 . 1 1 26 26 GLN N N 26 122.801 122.801 121.406 1.395 18692 141 1 . 1 1 26 26 GLN HA H 26 4.345 4.345 4.354 -0.009 18692 142 1 . 1 1 26 26 GLN C C 26 175.718 175.718 176.038 -0.320 18692 143 1 . 1 1 26 26 GLN CA C 26 52.909 52.909 56.153 -3.244 18692 144 1 . 1 1 26 26 GLN CB C 26 28.417 28.417 28.867 -0.450 18692 145 1 . 1 1 26 26 GLN H H 26 9.264 9.264 8.385 0.879 18692 146 1 . 1 1 27 27 PRO HA H 27 3.915 3.915 4.342 -0.427 18692 147 1 . 1 1 27 27 PRO C C 27 177.450 177.450 175.871 1.579 18692 148 1 . 1 1 27 27 PRO CA C 27 64.908 64.908 64.725 0.183 18692 149 1 . 1 1 27 27 PRO CB C 27 31.265 31.265 32.126 -0.861 18692 150 1 . 1 1 28 28 ASN N N 28 118.995 118.995 113.718 5.277 18692 151 1 . 1 1 28 28 ASN HA H 28 4.475 4.475 5.202 -0.727 18692 152 1 . 1 1 28 28 ASN C C 28 179.421 179.421 174.104 5.317 18692 153 1 . 1 1 28 28 ASN CA C 28 55.368 55.368 52.542 2.826 18692 154 1 . 1 1 28 28 ASN CB C 28 38.967 38.967 39.932 -0.965 18692 155 1 . 1 1 28 28 ASN H H 28 8.458 8.458 8.165 0.293 18692 156 1 . 1 1 29 29 GLU N N 29 123.128 123.128 119.576 3.552 18692 157 1 . 1 1 29 29 GLU HA H 29 4.291 4.291 4.583 -0.292 18692 158 1 . 1 1 29 29 GLU C C 29 175.883 175.883 174.355 1.528 18692 159 1 . 1 1 29 29 GLU CA C 29 56.876 56.876 54.707 2.169 18692 160 1 . 1 1 29 29 GLU CB C 29 31.863 31.863 33.665 -1.802 18692 161 1 . 1 1 29 29 GLU H H 29 8.294 8.294 7.635 0.659 18692 162 1 . 1 1 30 30 VAL N N 30 123.635 123.635 120.497 3.138 18692 163 1 . 1 1 30 30 VAL HA H 30 5.293 5.293 4.691 0.602 18692 164 1 . 1 1 30 30 VAL C C 30 177.201 177.201 175.013 2.188 18692 165 1 . 1 1 30 30 VAL CA C 30 60.562 60.562 60.724 -0.161 18692 166 1 . 1 1 30 30 VAL CB C 30 33.419 33.419 34.066 -0.647 18692 167 1 . 1 1 30 30 VAL H H 30 8.067 8.067 8.434 -0.367 18692 168 1 . 1 1 31 31 ALA N N 31 127.391 127.391 130.302 -2.911 18692 169 1 . 1 1 31 31 ALA HA H 31 4.919 4.919 4.981 -0.062 18692 170 1 . 1 1 31 31 ALA C C 31 176.179 176.179 176.017 0.162 18692 171 1 . 1 1 31 31 ALA CA C 31 51.470 51.470 50.022 1.448 18692 172 1 . 1 1 31 31 ALA CB C 31 24.772 24.772 21.422 3.350 18692 173 1 . 1 1 31 31 ALA H H 31 9.086 9.086 8.297 0.789 18692 174 1 . 1 1 32 32 ILE N N 32 118.468 118.468 125.910 -7.442 18692 175 1 . 1 1 32 32 ILE HA H 32 5.102 5.102 4.426 0.676 18692 176 1 . 1 1 32 32 ILE C C 32 176.300 176.300 174.727 1.573 18692 177 1 . 1 1 32 32 ILE CA C 32 59.604 59.604 60.774 -1.170 18692 178 1 . 1 1 32 32 ILE CB C 32 41.416 41.416 38.814 2.602 18692 179 1 . 1 1 32 32 ILE H H 32 8.175 8.175 8.021 0.154 18692 180 1 . 1 1 33 33 PHE N N 33 123.926 123.926 127.847 -3.921 18692 181 1 . 1 1 33 33 PHE HA H 33 5.407 5.407 5.545 -0.138 18692 182 1 . 1 1 33 33 PHE C C 33 176.695 176.695 175.944 0.751 18692 183 1 . 1 1 33 33 PHE CA C 33 56.627 56.627 55.123 1.504 18692 184 1 . 1 1 33 33 PHE CB C 33 41.583 41.583 39.564 2.018 18692 185 1 . 1 1 33 33 PHE H H 33 9.277 9.277 8.862 0.415 18692 186 1 . 1 1 34 34 MET N N 34 120.519 120.519 124.964 -4.445 18692 187 1 . 1 1 34 34 MET HA H 34 5.517 5.517 5.374 0.143 18692 188 1 . 1 1 34 34 MET C C 34 177.123 177.123 175.088 2.035 18692 189 1 . 1 1 34 34 MET CA C 34 53.515 53.515 55.546 -2.031 18692 190 1 . 1 1 34 34 MET CB C 34 36.447 36.447 34.530 1.917 18692 191 1 . 1 1 34 34 MET H H 34 8.606 8.606 8.857 -0.251 18692 192 1 . 1 1 35 35 PHE N N 35 118.119 118.119 121.240 -3.121 18692 193 1 . 1 1 35 35 PHE HA H 35 4.642 4.642 5.187 -0.545 18692 194 1 . 1 1 35 35 PHE C C 35 175.188 175.188 174.039 1.149 18692 195 1 . 1 1 35 35 PHE CA C 35 56.100 56.100 55.692 0.408 18692 196 1 . 1 1 35 35 PHE CB C 35 41.450 41.450 41.085 0.365 18692 197 1 . 1 1 35 35 PHE H H 35 8.832 8.832 8.781 0.051 18692 198 1 . 1 1 36 36 GLU N N 36 120.598 120.598 123.042 -2.444 18692 199 1 . 1 1 36 36 GLU HA H 36 4.890 4.890 4.307 0.583 18692 200 1 . 1 1 36 36 GLU C C 36 179.258 179.258 175.464 3.794 18692 201 1 . 1 1 36 36 GLU CA C 36 57.184 57.184 56.076 1.108 18692 202 1 . 1 1 36 36 GLU CB C 36 30.844 30.844 30.082 0.762 18692 203 1 . 1 1 36 36 GLU H H 36 9.421 9.421 8.852 0.569 18692 204 1 . 1 1 37 37 VAL N N 37 122.817 122.817 119.401 3.417 18692 205 1 . 1 1 37 37 VAL HA H 37 4.230 4.230 4.195 0.035 18692 206 1 . 1 1 37 37 VAL C C 37 176.550 176.550 176.851 -0.301 18692 207 1 . 1 1 37 37 VAL CA C 37 65.923 65.923 62.084 3.839 18692 208 1 . 1 1 37 37 VAL H H 37 9.005 9.005 7.516 1.489 18692 209 1 . 1 1 38 38 GLY N N 38 109.660 109.660 109.572 0.088 18692 210 1 . 1 1 38 38 GLY C C 38 173.860 173.860 173.948 -0.088 18692 211 1 . 1 1 38 38 GLY CA C 38 44.560 44.560 45.213 -0.653 18692 212 1 . 1 1 38 38 GLY H H 38 8.440 8.440 8.499 -0.059 18692 213 1 . 1 1 39 39 ASP N N 39 119.440 119.440 121.279 -1.839 18692 214 1 . 1 1 39 39 ASP HA H 39 4.910 4.910 4.441 0.469 18692 215 1 . 1 1 39 39 ASP C C 39 177.550 177.550 176.025 1.525 18692 216 1 . 1 1 39 39 ASP CA C 39 54.420 54.420 53.880 0.540 18692 217 1 . 1 1 39 39 ASP CB C 39 37.150 37.150 40.081 -2.931 18692 218 1 . 1 1 39 39 ASP H H 39 8.330 8.330 8.056 0.274 18692 219 1 . 1 1 40 40 PHE N N 40 123.361 123.361 120.320 3.041 18692 220 1 . 1 1 40 40 PHE HA H 40 4.620 4.620 4.426 0.194 18692 221 1 . 1 1 40 40 PHE CA C 40 56.250 56.250 58.572 -2.322 18692 222 1 . 1 1 40 40 PHE CB C 40 36.150 36.150 38.883 -2.733 18692 223 1 . 1 1 40 40 PHE H H 40 7.949 7.949 7.353 0.596 18692 224 1 . 1 1 41 41 SER N N 41 121.483 121.483 115.816 5.667 18692 225 1 . 1 1 41 41 SER HA H 41 4.492 4.492 4.038 0.454 18692 226 1 . 1 1 41 41 SER C C 41 174.554 174.554 175.718 -1.164 18692 227 1 . 1 1 41 41 SER CA C 41 59.660 59.660 59.964 -0.304 18692 228 1 . 1 1 41 41 SER CB C 41 63.220 63.220 62.610 0.610 18692 229 1 . 1 1 41 41 SER H H 41 8.519 8.519 7.903 0.616 18692 230 1 . 1 1 42 42 ASN N N 42 118.920 118.920 118.624 0.296 18692 231 1 . 1 1 42 42 ASN HA H 42 4.910 4.910 4.629 0.281 18692 232 1 . 1 1 42 42 ASN CA C 42 53.490 53.490 54.757 -1.267 18692 233 1 . 1 1 42 42 ASN CB C 42 38.120 38.120 38.540 -0.420 18692 234 1 . 1 1 42 42 ASN H H 42 8.330 8.330 8.020 0.310 18692 235 1 . 1 1 43 43 ILE N N 43 121.540 121.540 121.251 0.289 18692 236 1 . 1 1 43 43 ILE HA H 43 4.180 4.180 3.840 0.340 18692 237 1 . 1 1 43 43 ILE CA C 43 60.110 60.110 66.101 -5.991 18692 238 1 . 1 1 43 43 ILE CB C 43 38.440 38.440 35.124 3.316 18692 239 1 . 1 1 43 43 ILE H H 43 8.293 8.293 7.249 1.044 18692 240 1 . 1 1 44 44 PRO HA H 44 4.461 4.461 4.354 0.107 18692 241 1 . 1 1 44 44 PRO C C 44 176.465 176.465 178.543 -2.078 18692 242 1 . 1 1 44 44 PRO CA C 44 65.358 65.358 65.150 0.208 18692 243 1 . 1 1 44 44 PRO CB C 44 30.441 30.441 31.106 -0.665 18692 244 1 . 1 1 45 45 LYS N N 45 116.236 116.236 118.757 -2.521 18692 245 1 . 1 1 45 45 LYS HA H 45 4.128 4.128 4.087 0.041 18692 246 1 . 1 1 45 45 LYS C C 45 181.467 181.467 178.452 3.015 18692 247 1 . 1 1 45 45 LYS CA C 45 59.712 59.712 59.054 0.658 18692 248 1 . 1 1 45 45 LYS CB C 45 33.281 33.281 32.294 0.987 18692 249 1 . 1 1 45 45 LYS H H 45 7.270 7.270 7.716 -0.446 18692 250 1 . 1 1 46 46 SER N N 46 116.059 116.059 115.700 0.359 18692 251 1 . 1 1 46 46 SER HA H 46 4.080 4.080 4.252 -0.172 18692 252 1 . 1 1 46 46 SER C C 46 177.432 177.432 176.771 0.661 18692 253 1 . 1 1 46 46 SER CA C 46 63.202 63.202 60.951 2.250 18692 254 1 . 1 1 46 46 SER CB C 46 62.118 62.118 62.929 -0.811 18692 255 1 . 1 1 46 46 SER H H 46 8.293 8.293 7.646 0.647 18692 256 1 . 1 1 47 47 ALA N N 47 126.579 126.579 123.944 2.635 18692 257 1 . 1 1 47 47 ALA HA H 47 4.128 4.128 4.143 -0.015 18692 258 1 . 1 1 47 47 ALA C C 47 181.528 181.528 178.236 3.292 18692 259 1 . 1 1 47 47 ALA CA C 47 55.704 55.704 54.573 1.131 18692 260 1 . 1 1 47 47 ALA CB C 47 18.326 18.326 18.191 0.135 18692 261 1 . 1 1 47 47 ALA H H 47 6.990 6.990 7.696 -0.706 18692 262 1 . 1 1 48 48 GLU N N 48 117.980 117.980 117.498 0.482 18692 263 1 . 1 1 48 48 GLU HA H 48 4.062 4.062 3.180 0.882 18692 264 1 . 1 1 48 48 GLU C C 48 180.822 180.822 177.722 3.100 18692 265 1 . 1 1 48 48 GLU CA C 48 59.100 59.100 57.620 1.480 18692 266 1 . 1 1 48 48 GLU CB C 48 29.770 29.770 29.372 0.398 18692 267 1 . 1 1 48 48 GLU H H 48 7.863 7.863 7.424 0.439 18692 268 1 . 1 1 49 49 PHE N N 49 122.179 122.179 117.848 4.331 18692 269 1 . 1 1 49 49 PHE HA H 49 4.117 4.117 4.160 -0.043 18692 270 1 . 1 1 49 49 PHE C C 49 179.580 179.580 176.933 2.647 18692 271 1 . 1 1 49 49 PHE CA C 49 57.813 57.813 60.526 -2.713 18692 272 1 . 1 1 49 49 PHE CB C 49 41.695 41.695 39.095 2.600 18692 273 1 . 1 1 49 49 PHE H H 49 8.341 8.341 7.667 0.674 18692 274 1 . 1 1 50 50 ILE N N 50 117.469 117.469 116.782 0.686 18692 275 1 . 1 1 50 50 ILE HA H 50 3.533 3.533 3.963 -0.430 18692 276 1 . 1 1 50 50 ILE C C 50 179.698 179.698 176.336 3.362 18692 277 1 . 1 1 50 50 ILE CA C 50 62.884 62.884 62.533 0.350 18692 278 1 . 1 1 50 50 ILE CB C 50 36.669 36.669 37.885 -1.216 18692 279 1 . 1 1 50 50 ILE H H 50 8.322 8.322 7.268 1.054 18692 280 1 . 1 1 51 51 GLN N N 51 117.190 117.190 117.158 0.032 18692 281 1 . 1 1 51 51 GLN HA H 51 4.261 4.261 4.492 -0.231 18692 282 1 . 1 1 51 51 GLN C C 51 182.627 182.627 175.651 6.976 18692 283 1 . 1 1 51 51 GLN CA C 51 58.862 58.862 55.114 3.748 18692 284 1 . 1 1 51 51 GLN CB C 51 28.451 28.451 31.604 -3.153 18692 285 1 . 1 1 51 51 GLN H H 51 7.887 7.887 7.581 0.306 18692 286 1 . 1 1 52 52 SER N N 52 117.670 117.670 119.811 -2.141 18692 287 1 . 1 1 52 52 SER HA H 52 4.137 4.137 4.239 -0.102 18692 288 1 . 1 1 52 52 SER CA C 52 61.401 61.401 60.921 0.480 18692 289 1 . 1 1 52 52 SER CB C 52 62.615 62.615 63.416 -0.801 18692 290 1 . 1 1 52 52 SER H H 52 8.556 8.556 8.724 -0.168 18692 291 1 . 1 1 53 53 LYS N N 53 119.008 119.008 120.003 -0.995 18692 292 1 . 1 1 53 53 LYS HA H 53 4.170 4.170 4.411 -0.241 18692 293 1 . 1 1 53 53 LYS C C 53 177.911 177.911 175.486 2.425 18692 294 1 . 1 1 53 53 LYS CA C 53 54.662 54.662 56.021 -1.359 18692 295 1 . 1 1 53 53 LYS CB C 53 32.652 32.652 33.366 -0.714 18692 296 1 . 1 1 53 53 LYS H H 53 7.064 7.064 7.720 -0.656 18692 297 1 . 1 1 54 54 GLY N N 54 105.188 105.188 111.166 -5.978 18692 298 1 . 1 1 54 54 GLY C C 54 175.528 175.528 173.503 2.025 18692 299 1 . 1 1 54 54 GLY CA C 54 45.118 45.118 45.493 -0.375 18692 300 1 . 1 1 54 54 GLY H H 54 7.548 7.548 8.580 -1.032 18692 301 1 . 1 1 55 55 HIS N N 55 118.294 118.294 120.815 -2.521 18692 302 1 . 1 1 55 55 HIS HA H 55 4.947 4.947 4.933 0.014 18692 303 1 . 1 1 55 55 HIS C C 55 175.240 175.240 174.001 1.239 18692 304 1 . 1 1 55 55 HIS CA C 55 54.847 54.847 54.588 0.259 18692 305 1 . 1 1 55 55 HIS CB C 55 31.315 31.315 29.767 1.548 18692 306 1 . 1 1 55 55 HIS H H 55 6.998 6.998 8.024 -1.026 18692 307 1 . 1 1 56 56 GLU N N 56 118.205 118.205 125.629 -7.424 18692 308 1 . 1 1 56 56 GLU HA H 56 4.666 4.666 4.471 0.195 18692 309 1 . 1 1 56 56 GLU C C 56 176.766 176.766 174.943 1.823 18692 310 1 . 1 1 56 56 GLU CA C 56 55.162 55.162 54.936 0.226 18692 311 1 . 1 1 56 56 GLU CB C 56 33.110 33.110 32.403 0.707 18692 312 1 . 1 1 56 56 GLU H H 56 8.509 8.509 8.102 0.407 18692 313 1 . 1 1 57 57 LEU N N 57 127.769 127.769 127.150 0.619 18692 314 1 . 1 1 57 57 LEU HA H 57 4.786 4.786 4.711 0.075 18692 315 1 . 1 1 57 57 LEU C C 57 177.854 177.854 177.752 0.102 18692 316 1 . 1 1 57 57 LEU CA C 57 53.780 53.780 53.972 -0.193 18692 317 1 . 1 1 57 57 LEU CB C 57 42.676 42.676 40.379 2.297 18692 318 1 . 1 1 57 57 LEU H H 57 8.978 8.978 8.836 0.142 18692 319 1 . 1 1 58 58 LEU N N 58 128.364 128.364 125.744 2.620 18692 320 1 . 1 1 58 58 LEU HA H 58 4.402 4.402 4.032 0.370 18692 321 1 . 1 1 58 58 LEU C C 58 179.469 179.469 177.371 2.098 18692 322 1 . 1 1 58 58 LEU CA C 58 56.534 56.534 57.633 -1.099 18692 323 1 . 1 1 58 58 LEU CB C 58 42.371 42.371 42.655 -0.284 18692 324 1 . 1 1 58 58 LEU H H 58 9.128 9.128 8.115 1.013 18692 325 1 . 1 1 59 59 ASN N N 59 113.622 113.622 115.210 -1.588 18692 326 1 . 1 1 59 59 ASN HA H 59 4.918 4.918 4.862 0.056 18692 327 1 . 1 1 59 59 ASN C C 59 175.560 175.560 174.176 1.384 18692 328 1 . 1 1 59 59 ASN CA C 59 52.389 52.389 52.431 -0.042 18692 329 1 . 1 1 59 59 ASN CB C 59 41.887 41.887 39.838 2.049 18692 330 1 . 1 1 59 59 ASN H H 59 7.574 7.574 7.958 -0.384 18692 331 1 . 1 1 60 60 SER N N 60 118.134 118.134 119.757 -1.623 18692 332 1 . 1 1 60 60 SER HA H 60 4.045 4.045 4.347 -0.302 18692 333 1 . 1 1 60 60 SER CA C 60 56.925 56.925 58.560 -1.635 18692 334 1 . 1 1 60 60 SER CB C 60 63.649 63.649 63.913 -0.264 18692 335 1 . 1 1 60 60 SER H H 60 8.436 8.436 8.512 -0.076 18692 336 1 . 1 1 61 61 LEU N N 61 128.266 128.266 120.657 7.609 18692 337 1 . 1 1 61 61 LEU HA H 61 4.219 4.219 4.687 -0.468 18692 338 1 . 1 1 61 61 LEU CA C 61 55.106 55.106 55.539 -0.433 18692 339 1 . 1 1 61 61 LEU CB C 61 44.577 44.577 42.566 2.011 18692 340 1 . 1 1 61 61 LEU H H 61 8.725 8.725 8.216 0.509 18692 341 1 . 1 1 62 62 ARG N N 62 122.383 122.383 124.778 -2.395 18692 342 1 . 1 1 62 62 ARG HA H 62 4.312 4.312 4.271 0.041 18692 343 1 . 1 1 62 62 ARG C C 62 176.560 176.560 175.742 0.818 18692 344 1 . 1 1 62 62 ARG CA C 62 57.290 57.290 54.423 2.867 18692 345 1 . 1 1 62 62 ARG CB C 62 30.828 30.828 28.121 2.707 18692 346 1 . 1 1 62 62 ARG H H 62 7.303 7.303 9.010 -1.707 18692 347 1 . 1 1 63 63 PHE N N 63 120.560 120.560 121.310 -0.750 18692 348 1 . 1 1 63 63 PHE HA H 63 4.613 4.613 4.461 0.152 18692 349 1 . 1 1 63 63 PHE CA C 63 61.377 61.377 58.464 2.913 18692 350 1 . 1 1 63 63 PHE CB C 63 39.908 39.908 38.683 1.225 18692 351 1 . 1 1 63 63 PHE H H 63 8.321 8.321 8.024 0.297 18692 352 1 . 1 1 64 64 ASN N N 64 117.616 117.616 117.563 0.053 18692 353 1 . 1 1 64 64 ASN HA H 64 4.377 4.377 4.004 0.373 18692 354 1 . 1 1 64 64 ASN C C 64 176.642 176.642 175.087 1.555 18692 355 1 . 1 1 64 64 ASN CA C 64 53.465 53.465 54.266 -0.801 18692 356 1 . 1 1 64 64 ASN CB C 64 37.450 37.450 38.082 -0.632 18692 357 1 . 1 1 64 64 ASN H H 64 8.101 8.101 8.250 -0.149 18692 358 1 . 1 1 65 65 GLN N N 65 115.548 115.548 118.406 -2.858 18692 359 1 . 1 1 65 65 GLN HA H 65 4.275 4.275 4.411 -0.136 18692 360 1 . 1 1 65 65 GLN C C 65 178.411 178.411 174.840 3.571 18692 361 1 . 1 1 65 65 GLN CA C 65 59.127 59.127 54.848 4.280 18692 362 1 . 1 1 65 65 GLN CB C 65 28.650 28.650 30.725 -2.075 18692 363 1 . 1 1 65 65 GLN H H 65 8.330 8.330 7.587 0.743 18692 364 1 . 1 1 66 66 ALA N N 66 120.802 120.802 122.841 -2.039 18692 365 1 . 1 1 66 66 ALA HA H 66 4.652 4.652 4.229 0.423 18692 366 1 . 1 1 66 66 ALA C C 66 178.893 178.893 177.034 1.859 18692 367 1 . 1 1 66 66 ALA CA C 66 52.751 52.751 52.380 0.371 18692 368 1 . 1 1 66 66 ALA CB C 66 21.705 21.705 19.375 2.330 18692 369 1 . 1 1 66 66 ALA H H 66 8.346 8.346 8.261 0.085 18692 370 1 . 1 1 67 67 ASP N N 67 118.909 118.909 119.003 -0.094 18692 371 1 . 1 1 67 67 ASP HA H 67 4.612 4.612 4.375 0.237 18692 372 1 . 1 1 67 67 ASP C C 67 175.639 175.639 175.429 0.210 18692 373 1 . 1 1 67 67 ASP CA C 67 54.726 54.726 54.824 -0.098 18692 374 1 . 1 1 67 67 ASP CB C 67 45.152 45.152 40.198 4.954 18692 375 1 . 1 1 67 67 ASP H H 67 8.117 8.117 8.303 -0.186 18692 376 1 . 1 1 68 68 TRP HA H 68 4.477 4.477 4.837 -0.360 18692 377 1 . 1 1 68 68 TRP CA C 68 56.253 56.253 55.845 0.408 18692 378 1 . 1 1 68 68 TRP CB C 68 33.719 33.719 33.465 0.254 18692 379 1 . 1 1 68 68 TRP H H 68 8.310 8.310 7.640 0.670 18692 380 1 . 1 1 69 69 THR N N 69 114.495 114.495 111.638 2.857 18692 381 1 . 1 1 69 69 THR HA H 69 5.605 5.605 4.843 0.762 18692 382 1 . 1 1 69 69 THR C C 69 176.005 176.005 173.173 2.832 18692 383 1 . 1 1 69 69 THR CA C 69 58.855 58.855 60.821 -1.966 18692 384 1 . 1 1 69 69 THR CB C 69 72.755 72.755 70.768 1.987 18692 385 1 . 1 1 69 69 THR H H 69 7.985 7.985 8.159 -0.174 18692 386 1 . 1 1 70 70 ILE N N 70 114.448 114.448 126.046 -11.598 18692 387 1 . 1 1 70 70 ILE HA H 70 5.384 5.384 4.699 0.685 18692 388 1 . 1 1 70 70 ILE C C 70 175.751 175.751 173.871 1.880 18692 389 1 . 1 1 70 70 ILE CA C 70 59.637 59.637 58.937 0.700 18692 390 1 . 1 1 70 70 ILE CB C 70 41.689 41.689 41.767 -0.078 18692 391 1 . 1 1 70 70 ILE H H 70 8.807 8.807 8.280 0.527 18692 392 1 . 1 1 71 71 VAL N N 71 124.084 124.084 127.352 -3.268 18692 393 1 . 1 1 71 71 VAL HA H 71 5.012 5.012 4.581 0.431 18692 394 1 . 1 1 71 71 VAL C C 71 177.625 177.625 174.709 2.916 18692 395 1 . 1 1 71 71 VAL CA C 71 61.647 61.647 60.883 0.764 18692 396 1 . 1 1 71 71 VAL CB C 71 32.482 32.482 32.252 0.230 18692 397 1 . 1 1 71 71 VAL H H 71 8.500 8.500 8.484 0.016 18692 398 1 . 1 1 72 72 VAL N N 72 127.753 127.753 125.032 2.721 18692 399 1 . 1 1 72 72 VAL HA H 72 5.147 5.147 4.480 0.667 18692 400 1 . 1 1 72 72 VAL C C 72 175.444 175.444 175.059 0.385 18692 401 1 . 1 1 72 72 VAL CA C 72 60.252 60.252 60.548 -0.296 18692 402 1 . 1 1 72 72 VAL CB C 72 37.425 37.425 33.770 3.656 18692 403 1 . 1 1 72 72 VAL H H 72 9.280 9.280 8.363 0.917 18692 404 1 . 1 1 73 73 ARG N N 73 125.839 125.839 126.614 -0.775 18692 405 1 . 1 1 73 73 ARG HA H 73 5.458 5.458 5.218 0.240 18692 406 1 . 1 1 73 73 ARG C C 73 177.981 177.981 176.226 1.756 18692 407 1 . 1 1 73 73 ARG CA C 73 53.788 53.788 54.089 -0.301 18692 408 1 . 1 1 73 73 ARG CB C 73 33.855 33.855 31.124 2.731 18692 409 1 . 1 1 73 73 ARG H H 73 9.194 9.194 8.396 0.798 18692 410 1 . 1 1 74 74 LYS N N 74 129.522 129.522 125.477 4.045 18692 411 1 . 1 1 74 74 LYS HA H 74 4.323 4.323 4.302 0.021 18692 412 1 . 1 1 74 74 LYS C C 74 178.340 178.340 176.428 1.912 18692 413 1 . 1 1 74 74 LYS CA C 74 55.983 55.983 57.531 -1.548 18692 414 1 . 1 1 74 74 LYS CB C 74 33.103 33.103 33.557 -0.454 18692 415 1 . 1 1 74 74 LYS H H 74 10.930 10.930 8.295 2.635 18692 416 1 . 1 1 75 75 LYS N N 75 131.817 131.817 118.772 13.045 18692 417 1 . 1 1 75 75 LYS HA H 75 4.489 4.489 4.589 -0.100 18692 418 1 . 1 1 75 75 LYS CA C 75 55.927 55.927 56.033 -0.106 18692 419 1 . 1 1 75 75 LYS CB C 75 29.730 29.730 34.943 -5.213 18692 420 1 . 1 1 75 75 LYS H H 75 10.873 10.873 8.338 2.535 18692 stop_ save_