data_17554 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17554 _Entry.PDB_ID 2LBC 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 17554 _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 ILE N N 2 117.266 117.266 122.803 -5.537 17554 2 1 1 . 1 1 2 2 ILE HA H 2 3.919 3.919 4.209 -0.290 17554 3 1 1 . 1 1 2 2 ILE CA C 2 60.653 60.653 60.973 -0.320 17554 4 1 1 . 1 1 2 2 ILE CB C 2 41.029 41.029 37.192 3.837 17554 5 1 1 . 1 1 2 2 ILE H H 2 7.746 7.746 8.155 -0.409 17554 6 1 1 . 1 1 3 3 ASP N N 3 125.895 125.895 126.244 -0.349 17554 7 1 1 . 1 1 3 3 ASP HA H 3 4.606 4.606 4.502 0.104 17554 8 1 1 . 1 1 3 3 ASP CA C 3 54.349 54.349 55.126 -0.777 17554 9 1 1 . 1 1 3 3 ASP CB C 3 41.214 41.214 40.833 0.381 17554 10 1 1 . 1 1 3 3 ASP H H 3 8.328 8.328 8.090 0.238 17554 11 1 1 . 1 1 4 4 GLU N N 4 128.620 128.620 125.374 3.246 17554 12 1 1 . 1 1 4 4 GLU HA H 4 3.948 3.948 4.099 -0.151 17554 13 1 1 . 1 1 4 4 GLU CA C 4 58.981 58.981 58.419 0.562 17554 14 1 1 . 1 1 4 4 GLU CB C 4 29.631 29.631 29.421 0.210 17554 15 1 1 . 1 1 4 4 GLU H H 4 8.991 8.991 8.448 0.543 17554 16 1 1 . 1 1 5 5 SER N N 5 115.342 115.342 116.424 -1.082 17554 17 1 1 . 1 1 5 5 SER HA H 5 4.254 4.254 4.222 0.032 17554 18 1 1 . 1 1 5 5 SER CA C 5 61.961 61.961 61.949 0.012 17554 19 1 1 . 1 1 5 5 SER CB C 5 62.222 62.222 62.511 -0.289 17554 20 1 1 . 1 1 5 5 SER H H 5 8.634 8.634 8.398 0.236 17554 21 1 1 . 1 1 6 6 SER N N 6 119.418 119.418 117.660 1.758 17554 22 1 1 . 1 1 6 6 SER HA H 6 4.354 4.354 4.483 -0.129 17554 23 1 1 . 1 1 6 6 SER CA C 6 61.729 61.729 61.434 0.295 17554 24 1 1 . 1 1 6 6 SER CB C 6 63.366 63.366 62.825 0.541 17554 25 1 1 . 1 1 6 6 SER H H 6 7.670 7.670 7.926 -0.256 17554 26 1 1 . 1 1 7 7 VAL N N 7 120.774 120.774 123.209 -2.435 17554 27 1 1 . 1 1 7 7 VAL HA H 7 3.234 3.234 3.895 -0.661 17554 28 1 1 . 1 1 7 7 VAL CA C 7 67.151 67.151 64.955 2.196 17554 29 1 1 . 1 1 7 7 VAL CB C 7 31.792 31.792 31.756 0.036 17554 30 1 1 . 1 1 7 7 VAL H H 7 7.286 7.286 7.770 -0.484 17554 31 1 1 . 1 1 8 8 MET N N 8 116.159 116.159 118.633 -2.474 17554 32 1 1 . 1 1 8 8 MET HA H 8 4.356 4.356 4.001 0.355 17554 33 1 1 . 1 1 8 8 MET CA C 8 57.482 57.482 59.726 -2.244 17554 34 1 1 . 1 1 8 8 MET CB C 8 31.341 31.341 32.043 -0.702 17554 35 1 1 . 1 1 8 8 MET H H 8 8.244 8.244 8.178 0.066 17554 36 1 1 . 1 1 9 9 GLN N N 9 119.708 119.708 119.369 0.339 17554 37 1 1 . 1 1 9 9 GLN HA H 9 4.101 4.101 4.018 0.083 17554 38 1 1 . 1 1 9 9 GLN CA C 9 59.331 59.331 58.787 0.544 17554 39 1 1 . 1 1 9 9 GLN CB C 9 28.880 28.880 28.646 0.234 17554 40 1 1 . 1 1 9 9 GLN H H 9 7.855 7.855 7.938 -0.083 17554 41 1 1 . 1 1 10 10 LEU N N 10 118.986 118.986 118.502 0.484 17554 42 1 1 . 1 1 10 10 LEU HA H 10 4.463 4.463 4.142 0.321 17554 43 1 1 . 1 1 10 10 LEU CA C 10 57.438 57.438 57.438 0.000 17554 44 1 1 . 1 1 10 10 LEU CB C 10 42.943 42.943 41.809 1.134 17554 45 1 1 . 1 1 10 10 LEU H H 10 7.432 7.432 7.695 -0.263 17554 46 1 1 . 1 1 11 11 ALA N N 11 125.146 125.146 122.823 2.323 17554 47 1 1 . 1 1 11 11 ALA HA H 11 4.411 4.411 4.472 -0.061 17554 48 1 1 . 1 1 11 11 ALA CA C 11 55.259 55.259 54.609 0.650 17554 49 1 1 . 1 1 11 11 ALA CB C 11 17.734 17.734 18.654 -0.920 17554 50 1 1 . 1 1 11 11 ALA H H 11 8.797 8.797 8.478 0.319 17554 51 1 1 . 1 1 12 12 GLU N N 12 119.871 119.871 116.506 3.365 17554 52 1 1 . 1 1 12 12 GLU HA H 12 4.117 4.117 4.191 -0.074 17554 53 1 1 . 1 1 12 12 GLU CA C 12 58.473 58.473 58.062 0.411 17554 54 1 1 . 1 1 12 12 GLU CB C 12 29.531 29.531 29.019 0.512 17554 55 1 1 . 1 1 12 12 GLU H H 12 8.178 8.178 8.654 -0.476 17554 56 1 1 . 1 1 13 13 MET N N 13 116.292 116.292 112.130 4.162 17554 57 1 1 . 1 1 13 13 MET HA H 13 4.296 4.296 5.209 -0.913 17554 58 1 1 . 1 1 13 13 MET CA C 13 56.797 56.797 55.321 1.476 17554 59 1 1 . 1 1 13 13 MET CB C 13 33.221 33.221 34.997 -1.776 17554 60 1 1 . 1 1 13 13 MET H H 13 7.619 7.619 7.424 0.195 17554 61 1 1 . 1 1 14 14 GLY N N 14 104.580 104.580 108.398 -3.818 17554 62 1 1 . 1 1 14 14 GLY CA C 14 44.860 44.860 45.989 -1.129 17554 63 1 1 . 1 1 14 14 GLY H H 14 7.873 7.873 7.915 -0.042 17554 64 1 1 . 1 1 15 15 PHE N N 15 118.802 118.802 117.691 1.111 17554 65 1 1 . 1 1 15 15 PHE HA H 15 5.017 5.017 5.307 -0.290 17554 66 1 1 . 1 1 15 15 PHE CA C 15 56.352 56.352 54.173 2.179 17554 67 1 1 . 1 1 15 15 PHE CB C 15 39.395 39.395 41.887 -2.492 17554 68 1 1 . 1 1 15 15 PHE H H 15 6.623 6.623 7.610 -0.987 17554 69 1 1 . 1 1 16 16 PRO HA H 16 4.530 4.530 4.504 0.026 17554 70 1 1 . 1 1 16 16 PRO CA C 16 63.064 63.064 63.226 -0.162 17554 71 1 1 . 1 1 16 16 PRO CB C 16 32.293 32.293 30.369 1.924 17554 72 1 1 . 1 1 17 17 LEU N N 17 128.389 128.389 126.673 1.716 17554 73 1 1 . 1 1 17 17 LEU HA H 17 3.945 3.945 4.271 -0.326 17554 74 1 1 . 1 1 17 17 LEU CA C 17 59.601 59.601 53.977 5.625 17554 75 1 1 . 1 1 17 17 LEU CB C 17 42.248 42.248 39.894 2.354 17554 76 1 1 . 1 1 17 17 LEU H H 17 9.041 9.041 8.176 0.865 17554 77 1 1 . 1 1 18 18 GLU N N 18 114.837 114.837 124.467 -9.630 17554 78 1 1 . 1 1 18 18 GLU HA H 18 4.067 4.067 3.864 0.203 17554 79 1 1 . 1 1 18 18 GLU CA C 18 59.139 59.139 59.325 -0.186 17554 80 1 1 . 1 1 18 18 GLU CB C 18 28.874 28.874 29.648 -0.774 17554 81 1 1 . 1 1 18 18 GLU H H 18 9.267 9.267 8.317 0.950 17554 82 1 1 . 1 1 19 19 ALA N N 19 119.137 119.137 121.406 -2.269 17554 83 1 1 . 1 1 19 19 ALA HA H 19 3.918 3.918 4.167 -0.249 17554 84 1 1 . 1 1 19 19 ALA CA C 19 54.872 54.872 55.014 -0.142 17554 85 1 1 . 1 1 19 19 ALA CB C 19 17.972 17.972 18.257 -0.285 17554 86 1 1 . 1 1 19 19 ALA H H 19 6.838 6.838 8.422 -1.584 17554 87 1 1 . 1 1 20 20 CYS N N 20 116.877 116.877 116.895 -0.018 17554 88 1 1 . 1 1 20 20 CYS HA H 20 3.891 3.891 4.125 -0.234 17554 89 1 1 . 1 1 20 20 CYS CA C 20 63.356 63.356 62.275 1.081 17554 90 1 1 . 1 1 20 20 CYS CB C 20 28.018 28.018 27.901 0.117 17554 91 1 1 . 1 1 20 20 CYS H H 20 7.610 7.610 8.236 -0.626 17554 92 1 1 . 1 1 21 21 ARG N N 21 117.434 117.434 121.088 -3.654 17554 93 1 1 . 1 1 21 21 ARG HA H 21 3.696 3.696 3.909 -0.213 17554 94 1 1 . 1 1 21 21 ARG CA C 21 60.192 60.192 59.296 0.896 17554 95 1 1 . 1 1 21 21 ARG CB C 21 30.175 30.175 29.990 0.185 17554 96 1 1 . 1 1 21 21 ARG H H 21 7.965 7.965 7.735 0.230 17554 97 1 1 . 1 1 22 22 LYS N N 22 117.667 117.667 117.724 -0.057 17554 98 1 1 . 1 1 22 22 LYS HA H 22 3.412 3.412 4.160 -0.748 17554 99 1 1 . 1 1 22 22 LYS CA C 22 60.181 60.181 59.114 1.067 17554 100 1 1 . 1 1 22 22 LYS CB C 22 32.085 32.085 31.825 0.260 17554 101 1 1 . 1 1 22 22 LYS H H 22 7.392 7.392 7.911 -0.519 17554 102 1 1 . 1 1 23 23 ALA N N 23 120.670 120.670 123.452 -2.782 17554 103 1 1 . 1 1 23 23 ALA HA H 23 3.015 3.015 3.509 -0.494 17554 104 1 1 . 1 1 23 23 ALA CA C 23 54.845 54.845 54.478 0.367 17554 105 1 1 . 1 1 23 23 ALA CB C 23 19.900 19.900 17.656 2.244 17554 106 1 1 . 1 1 23 23 ALA H H 23 8.043 8.043 7.498 0.545 17554 107 1 1 . 1 1 24 24 VAL N N 24 117.629 117.629 119.808 -2.179 17554 108 1 1 . 1 1 24 24 VAL HA H 24 3.510 3.510 3.652 -0.142 17554 109 1 1 . 1 1 24 24 VAL CA C 24 65.665 65.665 66.765 -1.100 17554 110 1 1 . 1 1 24 24 VAL CB C 24 32.009 32.009 31.775 0.234 17554 111 1 1 . 1 1 24 24 VAL H H 24 7.381 7.381 8.703 -1.322 17554 112 1 1 . 1 1 25 25 TYR N N 25 120.392 120.392 120.615 -0.223 17554 113 1 1 . 1 1 25 25 TYR HA H 25 3.860 3.860 4.076 -0.216 17554 114 1 1 . 1 1 25 25 TYR CA C 25 62.098 62.098 61.215 0.883 17554 115 1 1 . 1 1 25 25 TYR CB C 25 38.735 38.735 38.702 0.033 17554 116 1 1 . 1 1 25 25 TYR H H 25 8.029 8.029 7.613 0.416 17554 117 1 1 . 1 1 26 26 PHE N N 26 116.460 116.460 118.804 -2.344 17554 118 1 1 . 1 1 26 26 PHE HA H 26 4.181 4.181 3.967 0.214 17554 119 1 1 . 1 1 26 26 PHE CA C 26 60.345 60.345 60.377 -0.032 17554 120 1 1 . 1 1 26 26 PHE CB C 26 37.917 37.917 39.498 -1.581 17554 121 1 1 . 1 1 26 26 PHE H H 26 9.102 9.102 8.132 0.970 17554 122 1 1 . 1 1 27 27 THR N N 27 106.212 106.212 110.282 -4.070 17554 123 1 1 . 1 1 27 27 THR HA H 27 4.477 4.477 3.940 0.537 17554 124 1 1 . 1 1 27 27 THR CA C 27 61.195 61.195 63.813 -2.618 17554 125 1 1 . 1 1 27 27 THR CB C 27 69.061 69.061 69.115 -0.054 17554 126 1 1 . 1 1 27 27 THR H H 27 7.050 7.050 8.216 -1.166 17554 127 1 1 . 1 1 28 28 GLY N N 28 107.275 107.275 110.303 -3.028 17554 128 1 1 . 1 1 28 28 GLY CA C 28 46.575 46.575 44.937 1.639 17554 129 1 1 . 1 1 28 28 GLY H H 28 7.278 7.278 7.493 -0.215 17554 130 1 1 . 1 1 29 29 ASN N N 29 118.189 118.189 116.849 1.340 17554 131 1 1 . 1 1 29 29 ASN HA H 29 4.342 4.342 4.354 -0.012 17554 132 1 1 . 1 1 29 29 ASN CA C 29 53.614 53.614 54.257 -0.643 17554 133 1 1 . 1 1 29 29 ASN CB C 29 37.302 37.302 37.645 -0.343 17554 134 1 1 . 1 1 29 29 ASN H H 29 8.704 8.704 8.080 0.624 17554 135 1 1 . 1 1 30 30 MET N N 30 119.241 119.241 119.888 -0.647 17554 136 1 1 . 1 1 30 30 MET HA H 30 4.791 4.791 4.651 0.140 17554 137 1 1 . 1 1 30 30 MET CA C 30 53.943 53.943 53.651 0.291 17554 138 1 1 . 1 1 30 30 MET CB C 30 33.263 33.263 33.028 0.235 17554 139 1 1 . 1 1 30 30 MET H H 30 8.921 8.921 8.476 0.445 17554 140 1 1 . 1 1 31 31 GLY N N 31 109.623 109.623 106.737 2.886 17554 141 1 1 . 1 1 31 31 GLY CA C 31 44.151 44.151 44.375 -0.224 17554 142 1 1 . 1 1 31 31 GLY H H 31 8.349 8.349 7.670 0.679 17554 143 1 1 . 1 1 32 32 ALA N N 32 121.096 121.096 123.773 -2.677 17554 144 1 1 . 1 1 32 32 ALA HA H 32 3.980 3.980 4.007 -0.027 17554 145 1 1 . 1 1 32 32 ALA CA C 32 55.192 55.192 54.759 0.433 17554 146 1 1 . 1 1 32 32 ALA CB C 32 19.058 19.058 19.046 0.012 17554 147 1 1 . 1 1 32 32 ALA H H 32 8.899 8.899 8.672 0.227 17554 148 1 1 . 1 1 33 33 GLU N N 33 119.428 119.428 118.538 0.890 17554 149 1 1 . 1 1 33 33 GLU HA H 33 4.095 4.095 4.122 -0.027 17554 150 1 1 . 1 1 33 33 GLU CA C 33 60.864 60.864 59.441 1.423 17554 151 1 1 . 1 1 33 33 GLU CB C 33 28.661 28.661 28.679 -0.018 17554 152 1 1 . 1 1 33 33 GLU H H 33 8.705 8.705 8.643 0.062 17554 153 1 1 . 1 1 34 34 VAL N N 34 117.216 117.216 119.595 -2.379 17554 154 1 1 . 1 1 34 34 VAL HA H 34 4.062 4.062 3.865 0.197 17554 155 1 1 . 1 1 34 34 VAL CA C 34 65.178 65.178 66.084 -0.906 17554 156 1 1 . 1 1 34 34 VAL CB C 34 31.684 31.684 31.535 0.149 17554 157 1 1 . 1 1 34 34 VAL H H 34 8.178 8.178 7.458 0.720 17554 158 1 1 . 1 1 35 35 ALA N N 35 123.635 123.635 122.780 0.855 17554 159 1 1 . 1 1 35 35 ALA HA H 35 4.289 4.289 4.218 0.071 17554 160 1 1 . 1 1 35 35 ALA CA C 35 54.787 54.787 54.939 -0.152 17554 161 1 1 . 1 1 35 35 ALA CB C 35 19.794 19.794 18.384 1.411 17554 162 1 1 . 1 1 35 35 ALA H H 35 7.178 7.178 7.711 -0.533 17554 163 1 1 . 1 1 36 36 PHE N N 36 120.976 120.976 120.223 0.753 17554 164 1 1 . 1 1 36 36 PHE HA H 36 4.079 4.079 4.131 -0.052 17554 165 1 1 . 1 1 36 36 PHE CA C 36 61.339 61.339 61.491 -0.152 17554 166 1 1 . 1 1 36 36 PHE CB C 36 38.952 38.952 39.201 -0.249 17554 167 1 1 . 1 1 36 36 PHE H H 36 8.832 8.832 8.946 -0.114 17554 168 1 1 . 1 1 37 37 ASN N N 37 114.823 114.823 117.849 -3.026 17554 169 1 1 . 1 1 37 37 ASN HA H 37 4.318 4.318 4.227 0.091 17554 170 1 1 . 1 1 37 37 ASN CA C 37 56.379 56.379 56.633 -0.254 17554 171 1 1 . 1 1 37 37 ASN CB C 37 38.288 38.288 38.595 -0.307 17554 172 1 1 . 1 1 37 37 ASN H H 37 7.591 7.591 8.039 -0.448 17554 173 1 1 . 1 1 38 38 TRP N N 38 119.984 119.984 122.183 -2.199 17554 174 1 1 . 1 1 38 38 TRP HA H 38 4.191 4.191 4.466 -0.275 17554 175 1 1 . 1 1 38 38 TRP CA C 38 62.279 62.279 61.641 0.638 17554 176 1 1 . 1 1 38 38 TRP CB C 38 30.545 30.545 29.665 0.880 17554 177 1 1 . 1 1 38 38 TRP H H 38 7.630 7.630 8.167 -0.537 17554 178 1 1 . 1 1 39 39 ILE N N 39 121.183 121.183 120.385 0.798 17554 179 1 1 . 1 1 39 39 ILE HA H 39 3.647 3.647 3.969 -0.322 17554 180 1 1 . 1 1 39 39 ILE CA C 39 65.651 65.651 64.043 1.607 17554 181 1 1 . 1 1 39 39 ILE CB C 39 36.375 36.375 38.435 -2.060 17554 182 1 1 . 1 1 39 39 ILE H H 39 8.017 8.017 7.955 0.062 17554 183 1 1 . 1 1 40 40 ILE N N 40 115.084 115.084 117.814 -2.730 17554 184 1 1 . 1 1 40 40 ILE HA H 40 3.665 3.665 3.730 -0.065 17554 185 1 1 . 1 1 40 40 ILE CA C 40 63.224 63.224 64.025 -0.801 17554 186 1 1 . 1 1 40 40 ILE CB C 40 36.681 36.681 37.155 -0.474 17554 187 1 1 . 1 1 40 40 ILE H H 40 7.474 7.474 7.770 -0.296 17554 188 1 1 . 1 1 41 41 VAL N N 41 116.045 116.045 118.252 -2.207 17554 189 1 1 . 1 1 41 41 VAL HA H 41 3.661 3.661 3.754 -0.093 17554 190 1 1 . 1 1 41 41 VAL CA C 41 64.452 64.452 64.052 0.400 17554 191 1 1 . 1 1 41 41 VAL CB C 41 32.156 32.156 32.169 -0.013 17554 192 1 1 . 1 1 41 41 VAL H H 41 7.054 7.054 7.694 -0.640 17554 193 1 1 . 1 1 42 42 HIS N N 42 115.595 115.595 116.856 -1.261 17554 194 1 1 . 1 1 42 42 HIS HA H 42 4.098 4.098 4.337 -0.239 17554 195 1 1 . 1 1 42 42 HIS CA C 42 57.365 57.365 56.456 0.909 17554 196 1 1 . 1 1 42 42 HIS CB C 42 28.251 28.251 28.672 -0.421 17554 197 1 1 . 1 1 42 42 HIS H H 42 7.353 7.353 7.303 0.050 17554 198 1 1 . 1 1 43 43 MET N N 43 117.495 117.495 117.748 -0.253 17554 199 1 1 . 1 1 43 43 MET HA H 43 2.064 2.064 3.742 -1.678 17554 200 1 1 . 1 1 43 43 MET CA C 43 57.980 57.980 58.429 -0.449 17554 201 1 1 . 1 1 43 43 MET CB C 43 32.258 32.258 31.863 0.394 17554 202 1 1 . 1 1 43 43 MET H H 43 7.373 7.373 7.315 0.058 17554 203 1 1 . 1 1 44 44 GLU N N 44 116.844 116.844 117.831 -0.987 17554 204 1 1 . 1 1 44 44 GLU HA H 44 4.346 4.346 4.032 0.314 17554 205 1 1 . 1 1 44 44 GLU CA C 44 55.838 55.838 57.096 -1.258 17554 206 1 1 . 1 1 44 44 GLU CB C 44 29.351 29.351 29.316 0.035 17554 207 1 1 . 1 1 44 44 GLU H H 44 8.102 8.102 8.017 0.085 17554 208 1 1 . 1 1 45 45 GLU N N 45 121.925 121.925 119.580 2.345 17554 209 1 1 . 1 1 45 45 GLU HA H 45 4.426 4.426 4.277 0.149 17554 210 1 1 . 1 1 45 45 GLU CA C 45 55.141 55.141 54.611 0.530 17554 211 1 1 . 1 1 45 45 GLU CB C 45 28.513 28.513 29.508 -0.995 17554 212 1 1 . 1 1 45 45 GLU H H 45 7.853 7.853 7.191 0.662 17554 213 1 1 . 1 1 46 46 PRO HA H 46 4.440 4.440 4.346 0.094 17554 214 1 1 . 1 1 46 46 PRO CA C 46 65.070 65.070 65.180 -0.110 17554 215 1 1 . 1 1 46 46 PRO CB C 46 31.850 31.850 32.261 -0.411 17554 216 1 1 . 1 1 47 47 ASP N N 47 115.051 115.051 116.700 -1.649 17554 217 1 1 . 1 1 47 47 ASP HA H 47 4.686 4.686 4.657 0.029 17554 218 1 1 . 1 1 47 47 ASP CA C 47 52.841 52.841 52.537 0.304 17554 219 1 1 . 1 1 47 47 ASP CB C 47 39.711 39.711 40.412 -0.701 17554 220 1 1 . 1 1 47 47 ASP H H 47 8.437 8.437 8.342 0.095 17554 221 1 1 . 1 1 48 48 PHE N N 48 122.693 122.693 116.115 6.578 17554 222 1 1 . 1 1 48 48 PHE HA H 48 4.522 4.522 4.364 0.158 17554 223 1 1 . 1 1 48 48 PHE CA C 48 60.887 60.887 57.059 3.828 17554 224 1 1 . 1 1 48 48 PHE CB C 48 40.495 40.495 38.655 1.840 17554 225 1 1 . 1 1 48 48 PHE H H 48 7.695 7.695 7.916 -0.221 17554 226 1 1 . 1 1 49 49 ALA N N 49 117.185 117.185 120.580 -3.395 17554 227 1 1 . 1 1 49 49 ALA HA H 49 4.099 4.099 4.218 -0.119 17554 228 1 1 . 1 1 49 49 ALA CA C 49 51.211 51.211 50.992 0.219 17554 229 1 1 . 1 1 49 49 ALA CB C 49 19.067 19.067 20.583 -1.516 17554 230 1 1 . 1 1 49 49 ALA H H 49 8.643 8.643 7.095 1.548 17554 231 1 1 . 1 1 50 50 GLU N N 50 119.707 119.707 123.870 -4.163 17554 232 1 1 . 1 1 50 50 GLU HA H 50 4.412 4.412 4.106 0.306 17554 233 1 1 . 1 1 50 50 GLU CA C 50 54.755 54.755 55.825 -1.070 17554 234 1 1 . 1 1 50 50 GLU CB C 50 29.274 29.274 28.917 0.357 17554 235 1 1 . 1 1 50 50 GLU H H 50 7.412 7.412 8.691 -1.279 17554 236 1 1 . 1 1 51 51 PRO HA H 51 4.315 4.315 4.369 -0.054 17554 237 1 1 . 1 1 51 51 PRO CA C 51 62.863 62.863 63.261 -0.398 17554 238 1 1 . 1 1 51 51 PRO CB C 51 32.408 32.408 31.877 0.531 17554 239 1 1 . 1 1 52 52 LEU N N 52 123.507 123.507 119.065 4.442 17554 240 1 1 . 1 1 52 52 LEU HA H 52 4.210 4.210 4.658 -0.448 17554 241 1 1 . 1 1 52 52 LEU CA C 52 55.217 55.217 54.780 0.437 17554 242 1 1 . 1 1 52 52 LEU CB C 52 42.918 42.918 42.692 0.226 17554 243 1 1 . 1 1 52 52 LEU H H 52 8.475 8.475 7.666 0.809 17554 244 1 1 . 1 1 53 53 THR N N 53 119.005 119.005 117.281 1.724 17554 245 1 1 . 1 1 53 53 THR HA H 53 4.292 4.292 4.625 -0.333 17554 246 1 1 . 1 1 53 53 THR CA C 53 61.478 61.478 61.638 -0.160 17554 247 1 1 . 1 1 53 53 THR CB C 53 69.752 69.752 70.023 -0.271 17554 248 1 1 . 1 1 53 53 THR H H 53 8.371 8.371 7.738 0.633 17554 249 1 1 . 1 1 54 54 MET N N 54 124.439 124.439 124.798 -0.359 17554 250 1 1 . 1 1 54 54 MET HA H 54 4.651 4.651 5.103 -0.452 17554 251 1 1 . 1 1 54 54 MET CA C 54 53.235 53.235 53.417 -0.182 17554 252 1 1 . 1 1 54 54 MET CB C 54 32.605 32.605 32.303 0.301 17554 253 1 1 . 1 1 54 54 MET H H 54 8.264 8.264 8.371 -0.107 17554 254 1 1 . 1 1 55 55 PRO HA H 55 4.368 4.368 4.453 -0.085 17554 255 1 1 . 1 1 55 55 PRO CA C 55 63.668 63.668 63.149 0.519 17554 256 1 1 . 1 1 55 55 PRO CB C 55 32.038 32.038 32.195 -0.157 17554 257 1 1 . 1 1 56 56 GLY N N 56 109.663 109.663 106.036 3.627 17554 258 1 1 . 1 1 56 56 GLY CA C 56 45.314 45.314 45.535 -0.221 17554 259 1 1 . 1 1 56 56 GLY H H 56 8.461 8.461 7.738 0.723 17554 260 1 1 . 1 1 57 57 TYR N N 57 120.317 120.317 121.932 -1.615 17554 261 1 1 . 1 1 57 57 TYR HA H 57 4.528 4.528 4.561 -0.033 17554 262 1 1 . 1 1 57 57 TYR CA C 57 58.132 58.132 57.672 0.459 17554 263 1 1 . 1 1 57 57 TYR CB C 57 38.958 38.958 39.694 -0.736 17554 264 1 1 . 1 1 57 57 TYR H H 57 8.033 8.033 8.112 -0.079 17554 265 1 1 . 1 1 58 58 GLY N N 58 111.694 111.694 111.473 0.221 17554 266 1 1 . 1 1 58 58 GLY CA C 58 45.489 45.489 44.885 0.604 17554 267 1 1 . 1 1 58 58 GLY H H 58 8.423 8.423 8.055 0.368 17554 268 1 1 . 1 1 59 59 GLY N N 59 108.403 108.403 110.492 -2.089 17554 269 1 1 . 1 1 59 59 GLY CA C 59 45.210 45.210 45.909 -0.699 17554 270 1 1 . 1 1 59 59 GLY H H 59 7.871 7.871 8.115 -0.244 17554 271 1 1 . 1 1 60 60 ALA N N 60 123.835 123.835 124.640 -0.805 17554 272 1 1 . 1 1 60 60 ALA HA H 60 4.294 4.294 4.174 0.120 17554 273 1 1 . 1 1 60 60 ALA CA C 60 52.710 52.710 53.334 -0.624 17554 274 1 1 . 1 1 60 60 ALA CB C 60 19.353 19.353 19.067 0.286 17554 275 1 1 . 1 1 60 60 ALA H H 60 8.207 8.207 7.840 0.367 17554 276 1 1 . 1 1 61 61 ALA N N 61 123.032 123.032 120.446 2.586 17554 277 1 1 . 1 1 61 61 ALA HA H 61 4.316 4.316 4.371 -0.055 17554 278 1 1 . 1 1 61 61 ALA CA C 61 52.751 52.751 53.352 -0.601 17554 279 1 1 . 1 1 61 61 ALA CB C 61 19.096 19.096 18.792 0.304 17554 280 1 1 . 1 1 61 61 ALA H H 61 8.331 8.331 7.809 0.522 17554 281 1 1 . 1 1 62 62 SER N N 62 114.625 114.625 115.143 -0.518 17554 282 1 1 . 1 1 62 62 SER HA H 62 4.406 4.406 4.587 -0.181 17554 283 1 1 . 1 1 62 62 SER CA C 62 58.283 58.283 58.513 -0.230 17554 284 1 1 . 1 1 62 62 SER CB C 62 63.858 63.858 62.462 1.396 17554 285 1 1 . 1 1 62 62 SER H H 62 8.158 8.158 8.154 0.004 17554 286 1 1 . 1 1 63 63 ALA N N 63 125.890 125.890 127.673 -1.783 17554 287 1 1 . 1 1 63 63 ALA HA H 63 4.314 4.314 4.530 -0.216 17554 288 1 1 . 1 1 63 63 ALA CA C 63 52.926 52.926 52.378 0.548 17554 289 1 1 . 1 1 63 63 ALA CB C 63 19.216 19.216 19.997 -0.781 17554 290 1 1 . 1 1 63 63 ALA H H 63 8.294 8.294 8.231 0.063 17554 291 1 1 . 1 1 64 64 GLY N N 64 107.980 107.980 108.366 -0.386 17554 292 1 1 . 1 1 64 64 GLY CA C 64 45.324 45.324 45.115 0.209 17554 293 1 1 . 1 1 64 64 GLY H H 64 8.321 8.321 8.327 -0.006 17554 294 1 1 . 1 1 65 65 ALA N N 65 123.524 123.524 123.276 0.248 17554 295 1 1 . 1 1 65 65 ALA HA H 65 4.330 4.330 4.752 -0.422 17554 296 1 1 . 1 1 65 65 ALA CA C 65 52.589 52.589 52.246 0.343 17554 297 1 1 . 1 1 65 65 ALA CB C 65 19.438 19.438 20.231 -0.793 17554 298 1 1 . 1 1 65 65 ALA H H 65 8.088 8.088 8.266 -0.178 17554 299 1 1 . 1 1 66 66 SER N N 66 115.072 115.072 119.607 -4.535 17554 300 1 1 . 1 1 66 66 SER HA H 66 4.442 4.442 4.125 0.317 17554 301 1 1 . 1 1 66 66 SER CA C 66 58.334 58.334 57.978 0.356 17554 302 1 1 . 1 1 66 66 SER CB C 66 63.804 63.804 62.246 1.558 17554 303 1 1 . 1 1 66 66 SER H H 66 8.297 8.297 8.612 -0.315 17554 304 1 1 . 1 1 67 67 VAL N N 67 121.228 121.228 121.905 -0.677 17554 305 1 1 . 1 1 67 67 VAL HA H 67 4.075 4.075 4.171 -0.096 17554 306 1 1 . 1 1 67 67 VAL CA C 67 62.417 62.417 62.757 -0.340 17554 307 1 1 . 1 1 67 67 VAL CB C 67 32.611 32.611 32.694 -0.083 17554 308 1 1 . 1 1 67 67 VAL H H 67 8.007 8.007 7.896 0.111 17554 309 1 1 . 1 1 68 68 PHE N N 68 123.068 123.068 118.556 4.512 17554 310 1 1 . 1 1 68 68 PHE HA H 68 4.618 4.618 4.928 -0.310 17554 311 1 1 . 1 1 68 68 PHE CA C 68 57.981 57.981 56.593 1.388 17554 312 1 1 . 1 1 68 68 PHE CB C 68 39.618 39.618 37.997 1.621 17554 313 1 1 . 1 1 68 68 PHE H H 68 8.255 8.255 7.745 0.510 17554 314 1 1 . 1 1 69 69 GLY N N 69 110.709 110.709 110.727 -0.018 17554 315 1 1 . 1 1 69 69 GLY CA C 69 45.339 45.339 45.479 -0.140 17554 316 1 1 . 1 1 69 69 GLY H H 69 8.234 8.234 7.734 0.500 17554 317 1 1 . 1 1 70 70 ALA N N 70 123.857 123.857 124.578 -0.721 17554 318 1 1 . 1 1 70 70 ALA HA H 70 4.348 4.348 4.473 -0.126 17554 319 1 1 . 1 1 70 70 ALA CA C 70 52.626 52.626 51.468 1.158 17554 320 1 1 . 1 1 70 70 ALA CB C 70 19.386 19.386 19.062 0.324 17554 321 1 1 . 1 1 70 70 ALA H H 70 8.140 8.140 8.372 -0.232 17554 322 1 1 . 1 1 71 71 SER N N 71 115.019 115.019 115.365 -0.346 17554 323 1 1 . 1 1 71 71 SER HA H 71 4.441 4.441 4.324 0.117 17554 324 1 1 . 1 1 71 71 SER CA C 71 58.592 58.592 59.191 -0.599 17554 325 1 1 . 1 1 71 71 SER CB C 71 63.975 63.975 62.862 1.113 17554 326 1 1 . 1 1 71 71 SER H H 71 8.379 8.379 7.856 0.523 17554 327 1 1 . 1 1 72 72 GLY N N 72 110.640 110.640 113.517 -2.877 17554 328 1 1 . 1 1 72 72 GLY CA C 72 45.546 45.546 45.319 0.227 17554 329 1 1 . 1 1 72 72 GLY H H 72 8.395 8.395 8.725 -0.330 17554 330 1 1 . 1 1 73 73 LEU N N 73 121.191 121.191 123.723 -2.532 17554 331 1 1 . 1 1 73 73 LEU HA H 73 4.319 4.319 4.214 0.105 17554 332 1 1 . 1 1 73 73 LEU CA C 73 55.292 55.292 54.150 1.142 17554 333 1 1 . 1 1 73 73 LEU CB C 73 42.355 42.355 39.852 2.503 17554 334 1 1 . 1 1 73 73 LEU H H 73 8.088 8.088 8.319 -0.231 17554 335 1 1 . 1 1 74 74 ASP N N 74 120.099 120.099 122.990 -2.891 17554 336 1 1 . 1 1 74 74 ASP HA H 74 4.549 4.549 4.418 0.131 17554 337 1 1 . 1 1 74 74 ASP CA C 74 54.451 54.451 54.886 -0.435 17554 338 1 1 . 1 1 74 74 ASP CB C 74 41.071 41.071 42.184 -1.113 17554 339 1 1 . 1 1 74 74 ASP H H 74 8.312 8.312 8.303 0.009 17554 340 1 1 . 1 1 75 75 ASN N N 75 118.544 118.544 117.490 1.054 17554 341 1 1 . 1 1 75 75 ASN HA H 75 4.627 4.627 4.648 -0.021 17554 342 1 1 . 1 1 75 75 ASN CA C 75 53.043 53.043 52.913 0.130 17554 343 1 1 . 1 1 75 75 ASN CB C 75 38.723 38.723 38.752 -0.029 17554 344 1 1 . 1 1 75 75 ASN H H 75 8.254 8.254 8.337 -0.083 17554 345 1 1 . 1 1 76 76 GLN N N 76 121.475 121.475 120.975 0.500 17554 346 1 1 . 1 1 76 76 GLN HA H 76 4.527 4.527 4.519 0.008 17554 347 1 1 . 1 1 76 76 GLN CA C 76 53.613 53.613 53.982 -0.369 17554 348 1 1 . 1 1 76 76 GLN CB C 76 28.697 28.697 29.777 -1.080 17554 349 1 1 . 1 1 76 76 GLN H H 76 8.228 8.228 7.651 0.577 17554 350 1 1 . 1 1 77 77 PRO HA H 77 4.566 4.566 4.388 0.178 17554 351 1 1 . 1 1 77 77 PRO CA C 77 61.219 61.219 62.180 -0.961 17554 352 1 1 . 1 1 77 77 PRO CB C 77 31.453 31.453 31.133 0.320 17554 353 1 1 . 1 1 78 78 PRO HA H 78 4.449 4.449 4.415 0.034 17554 354 1 1 . 1 1 78 78 PRO CA C 78 62.743 62.743 63.084 -0.341 17554 355 1 1 . 1 1 78 78 PRO CB C 78 32.168 32.168 31.935 0.233 17554 356 1 1 . 1 1 79 79 GLU N N 79 127.716 127.716 126.750 0.966 17554 357 1 1 . 1 1 79 79 GLU HA H 79 3.843 3.843 3.811 0.032 17554 358 1 1 . 1 1 79 79 GLU CA C 79 59.074 59.074 59.925 -0.850 17554 359 1 1 . 1 1 79 79 GLU CB C 79 28.921 28.921 28.870 0.051 17554 360 1 1 . 1 1 79 79 GLU H H 79 9.073 9.073 8.892 0.181 17554 361 1 1 . 1 1 80 80 GLU N N 80 117.579 117.579 120.333 -2.754 17554 362 1 1 . 1 1 80 80 GLU HA H 80 4.120 4.120 4.104 0.016 17554 363 1 1 . 1 1 80 80 GLU CA C 80 59.468 59.468 59.187 0.281 17554 364 1 1 . 1 1 80 80 GLU CB C 80 28.680 28.680 29.148 -0.468 17554 365 1 1 . 1 1 80 80 GLU H H 80 9.604 9.604 8.787 0.818 17554 366 1 1 . 1 1 81 81 ILE N N 81 117.488 117.488 119.718 -2.230 17554 367 1 1 . 1 1 81 81 ILE HA H 81 4.068 4.068 3.875 0.193 17554 368 1 1 . 1 1 81 81 ILE CA C 81 63.261 63.261 64.328 -1.067 17554 369 1 1 . 1 1 81 81 ILE CB C 81 37.248 37.248 38.380 -1.132 17554 370 1 1 . 1 1 81 81 ILE H H 81 7.172 7.172 7.561 -0.389 17554 371 1 1 . 1 1 82 82 VAL N N 82 121.739 121.739 118.568 3.171 17554 372 1 1 . 1 1 82 82 VAL HA H 82 3.143 3.143 3.659 -0.516 17554 373 1 1 . 1 1 82 82 VAL CA C 82 67.507 67.507 66.588 0.919 17554 374 1 1 . 1 1 82 82 VAL CB C 82 31.816 31.816 31.264 0.552 17554 375 1 1 . 1 1 82 82 VAL H H 82 7.591 7.591 8.622 -1.031 17554 376 1 1 . 1 1 83 83 ALA N N 83 118.311 118.311 123.128 -4.817 17554 377 1 1 . 1 1 83 83 ALA HA H 83 4.341 4.341 4.016 0.325 17554 378 1 1 . 1 1 83 83 ALA CA C 83 54.186 54.186 55.156 -0.970 17554 379 1 1 . 1 1 83 83 ALA CB C 83 18.026 18.026 18.158 -0.132 17554 380 1 1 . 1 1 83 83 ALA H H 83 8.260 8.260 7.843 0.417 17554 381 1 1 . 1 1 84 84 ILE N N 84 119.780 119.780 119.860 -0.080 17554 382 1 1 . 1 1 84 84 ILE HA H 84 3.737 3.737 3.605 0.132 17554 383 1 1 . 1 1 84 84 ILE CA C 84 65.095 65.095 65.531 -0.437 17554 384 1 1 . 1 1 84 84 ILE CB C 84 38.070 38.070 38.014 0.056 17554 385 1 1 . 1 1 84 84 ILE H H 84 7.298 7.298 7.748 -0.450 17554 386 1 1 . 1 1 85 85 ILE N N 85 119.424 119.424 119.180 0.244 17554 387 1 1 . 1 1 85 85 ILE HA H 85 3.884 3.884 3.771 0.113 17554 388 1 1 . 1 1 85 85 ILE CA C 85 66.207 66.207 65.907 0.300 17554 389 1 1 . 1 1 85 85 ILE CB C 85 38.043 38.043 37.964 0.079 17554 390 1 1 . 1 1 85 85 ILE H H 85 7.426 7.426 8.618 -1.192 17554 391 1 1 . 1 1 86 86 THR N N 86 112.538 112.538 114.498 -1.960 17554 392 1 1 . 1 1 86 86 THR HA H 86 4.669 4.669 4.353 0.316 17554 393 1 1 . 1 1 86 86 THR CA C 86 64.995 64.995 65.248 -0.253 17554 394 1 1 . 1 1 86 86 THR CB C 86 68.293 68.293 68.517 -0.224 17554 395 1 1 . 1 1 86 86 THR H H 86 9.097 9.097 8.325 0.772 17554 396 1 1 . 1 1 87 87 SER N N 87 120.681 120.681 117.212 3.469 17554 397 1 1 . 1 1 87 87 SER HA H 87 4.397 4.397 4.328 0.069 17554 398 1 1 . 1 1 87 87 SER CA C 87 61.715 61.715 60.794 0.921 17554 399 1 1 . 1 1 87 87 SER CB C 87 62.804 62.804 63.067 -0.263 17554 400 1 1 . 1 1 87 87 SER H H 87 8.250 8.250 8.156 0.094 17554 401 1 1 . 1 1 88 88 MET N N 88 119.753 119.753 118.288 1.465 17554 402 1 1 . 1 1 88 88 MET HA H 88 4.399 4.399 4.352 0.047 17554 403 1 1 . 1 1 88 88 MET CA C 88 56.596 56.596 55.567 1.029 17554 404 1 1 . 1 1 88 88 MET CB C 88 33.330 33.330 32.597 0.733 17554 405 1 1 . 1 1 88 88 MET H H 88 7.550 7.550 7.843 -0.293 17554 406 1 1 . 1 1 89 89 GLY N N 89 105.282 105.282 103.930 1.352 17554 407 1 1 . 1 1 89 89 GLY CA C 89 44.767 44.767 44.609 0.158 17554 408 1 1 . 1 1 89 89 GLY H H 89 7.866 7.866 7.501 0.365 17554 409 1 1 . 1 1 90 90 PHE N N 90 118.182 118.182 119.819 -1.637 17554 410 1 1 . 1 1 90 90 PHE HA H 90 4.721 4.721 4.818 -0.097 17554 411 1 1 . 1 1 90 90 PHE CA C 90 57.670 57.670 56.934 0.736 17554 412 1 1 . 1 1 90 90 PHE CB C 90 39.706 39.706 40.665 -0.959 17554 413 1 1 . 1 1 90 90 PHE H H 90 6.675 6.675 7.525 -0.850 17554 414 1 1 . 1 1 91 91 GLN N N 91 118.581 118.581 118.686 -0.105 17554 415 1 1 . 1 1 91 91 GLN HA H 91 4.356 4.356 4.582 -0.226 17554 416 1 1 . 1 1 91 91 GLN CA C 91 55.485 55.485 54.950 0.535 17554 417 1 1 . 1 1 91 91 GLN CB C 91 29.969 29.969 31.265 -1.296 17554 418 1 1 . 1 1 91 91 GLN H H 91 8.854 8.854 8.540 0.314 17554 419 1 1 . 1 1 92 92 ARG N N 92 124.037 124.037 128.754 -4.717 17554 420 1 1 . 1 1 92 92 ARG HA H 92 3.624 3.624 3.934 -0.310 17554 421 1 1 . 1 1 92 92 ARG CA C 92 60.847 60.847 60.704 0.143 17554 422 1 1 . 1 1 92 92 ARG CB C 92 29.579 29.579 29.888 -0.309 17554 423 1 1 . 1 1 92 92 ARG H H 92 9.124 9.124 8.962 0.162 17554 424 1 1 . 1 1 93 93 ASN N N 93 115.060 115.060 117.517 -2.457 17554 425 1 1 . 1 1 93 93 ASN HA H 93 4.395 4.395 4.407 -0.012 17554 426 1 1 . 1 1 93 93 ASN CA C 93 56.562 56.562 56.556 0.006 17554 427 1 1 . 1 1 93 93 ASN CB C 93 37.059 37.059 37.862 -0.803 17554 428 1 1 . 1 1 93 93 ASN H H 93 9.117 9.117 8.744 0.373 17554 429 1 1 . 1 1 94 94 GLN N N 94 119.980 119.980 120.122 -0.142 17554 430 1 1 . 1 1 94 94 GLN HA H 94 3.933 3.933 4.120 -0.187 17554 431 1 1 . 1 1 94 94 GLN CA C 94 58.775 58.775 59.138 -0.363 17554 432 1 1 . 1 1 94 94 GLN CB C 94 29.075 29.075 28.582 0.493 17554 433 1 1 . 1 1 94 94 GLN H H 94 7.033 7.033 8.466 -1.433 17554 434 1 1 . 1 1 95 95 ALA N N 95 120.823 120.823 123.205 -2.382 17554 435 1 1 . 1 1 95 95 ALA HA H 95 3.761 3.761 4.008 -0.247 17554 436 1 1 . 1 1 95 95 ALA CA C 95 55.680 55.680 55.264 0.416 17554 437 1 1 . 1 1 95 95 ALA CB C 95 19.601 19.601 18.504 1.097 17554 438 1 1 . 1 1 95 95 ALA H H 95 7.996 7.996 8.547 -0.551 17554 439 1 1 . 1 1 96 96 ILE N N 96 116.250 116.250 120.065 -3.815 17554 440 1 1 . 1 1 96 96 ILE HA H 96 3.420 3.420 3.523 -0.103 17554 441 1 1 . 1 1 96 96 ILE CA C 96 65.611 65.611 66.100 -0.489 17554 442 1 1 . 1 1 96 96 ILE CB C 96 37.869 37.869 37.892 -0.023 17554 443 1 1 . 1 1 96 96 ILE H H 96 8.408 8.408 8.403 0.005 17554 444 1 1 . 1 1 97 97 GLN N N 97 118.601 118.601 119.339 -0.738 17554 445 1 1 . 1 1 97 97 GLN HA H 97 3.734 3.734 3.820 -0.086 17554 446 1 1 . 1 1 97 97 GLN CA C 97 59.011 59.011 59.458 -0.447 17554 447 1 1 . 1 1 97 97 GLN CB C 97 28.425 28.425 28.683 -0.258 17554 448 1 1 . 1 1 97 97 GLN H H 97 7.767 7.767 8.421 -0.654 17554 449 1 1 . 1 1 98 98 ALA N N 98 121.375 121.375 122.726 -1.351 17554 450 1 1 . 1 1 98 98 ALA HA H 98 2.748 2.748 3.834 -1.086 17554 451 1 1 . 1 1 98 98 ALA CA C 98 54.408 54.408 55.172 -0.764 17554 452 1 1 . 1 1 98 98 ALA CB C 98 20.084 20.084 18.481 1.603 17554 453 1 1 . 1 1 98 98 ALA H H 98 7.905 7.905 8.087 -0.182 17554 454 1 1 . 1 1 99 99 LEU N N 99 118.409 118.409 118.931 -0.522 17554 455 1 1 . 1 1 99 99 LEU HA H 99 3.717 3.717 4.028 -0.311 17554 456 1 1 . 1 1 99 99 LEU CA C 99 57.529 57.529 57.215 0.314 17554 457 1 1 . 1 1 99 99 LEU CB C 99 40.714 40.714 41.344 -0.630 17554 458 1 1 . 1 1 99 99 LEU H H 99 7.938 7.938 8.389 -0.451 17554 459 1 1 . 1 1 100 100 ARG N N 100 119.771 119.771 119.327 0.444 17554 460 1 1 . 1 1 100 100 ARG HA H 100 4.107 4.107 3.794 0.313 17554 461 1 1 . 1 1 100 100 ARG CA C 100 59.182 59.182 59.535 -0.353 17554 462 1 1 . 1 1 100 100 ARG CB C 100 30.021 30.021 29.853 0.168 17554 463 1 1 . 1 1 100 100 ARG H H 100 8.248 8.248 8.295 -0.047 17554 464 1 1 . 1 1 101 101 ALA N N 101 119.288 119.288 119.610 -0.322 17554 465 1 1 . 1 1 101 101 ALA HA H 101 3.983 3.983 3.956 0.027 17554 466 1 1 . 1 1 101 101 ALA CA C 101 53.663 53.663 54.059 -0.396 17554 467 1 1 . 1 1 101 101 ALA CB C 101 17.946 17.946 17.873 0.073 17554 468 1 1 . 1 1 101 101 ALA H H 101 7.324 7.324 7.343 -0.019 17554 469 1 1 . 1 1 102 102 THR N N 102 105.233 105.233 108.621 -3.388 17554 470 1 1 . 1 1 102 102 THR HA H 102 4.429 4.429 3.974 0.455 17554 471 1 1 . 1 1 102 102 THR CA C 102 60.535 60.535 62.923 -2.388 17554 472 1 1 . 1 1 102 102 THR CB C 102 71.036 71.036 69.598 1.438 17554 473 1 1 . 1 1 102 102 THR H H 102 7.113 7.113 7.697 -0.584 17554 474 1 1 . 1 1 103 103 ASN N N 103 119.293 119.293 120.929 -1.636 17554 475 1 1 . 1 1 103 103 ASN HA H 103 4.343 4.343 4.249 0.094 17554 476 1 1 . 1 1 103 103 ASN CA C 103 54.462 54.462 53.742 0.720 17554 477 1 1 . 1 1 103 103 ASN CB C 103 36.960 36.960 37.264 -0.304 17554 478 1 1 . 1 1 103 103 ASN H H 103 7.701 7.701 7.839 -0.138 17554 479 1 1 . 1 1 104 104 ASN N N 104 108.274 108.274 112.277 -4.003 17554 480 1 1 . 1 1 104 104 ASN HA H 104 3.956 3.956 4.244 -0.288 17554 481 1 1 . 1 1 104 104 ASN CA C 104 54.757 54.757 54.747 0.010 17554 482 1 1 . 1 1 104 104 ASN CB C 104 36.151 36.151 36.739 -0.588 17554 483 1 1 . 1 1 104 104 ASN H H 104 9.048 9.048 8.754 0.294 17554 484 1 1 . 1 1 105 105 ASN N N 105 118.458 118.458 118.428 0.030 17554 485 1 1 . 1 1 105 105 ASN HA H 105 4.728 4.728 4.826 -0.098 17554 486 1 1 . 1 1 105 105 ASN CA C 105 53.081 53.081 52.595 0.486 17554 487 1 1 . 1 1 105 105 ASN CB C 105 40.405 40.405 39.255 1.151 17554 488 1 1 . 1 1 105 105 ASN H H 105 7.061 7.061 7.662 -0.601 17554 489 1 1 . 1 1 106 106 LEU N N 106 128.727 128.727 127.651 1.076 17554 490 1 1 . 1 1 106 106 LEU HA H 106 3.732 3.732 3.948 -0.216 17554 491 1 1 . 1 1 106 106 LEU CA C 106 59.307 59.307 59.276 0.031 17554 492 1 1 . 1 1 106 106 LEU CB C 106 42.071 42.071 42.210 -0.139 17554 493 1 1 . 1 1 106 106 LEU H H 106 8.718 8.718 8.498 0.220 17554 494 1 1 . 1 1 107 107 GLU N N 107 117.325 117.325 118.477 -1.152 17554 495 1 1 . 1 1 107 107 GLU HA H 107 3.890 3.890 3.984 -0.094 17554 496 1 1 . 1 1 107 107 GLU CA C 107 60.871 60.871 59.784 1.087 17554 497 1 1 . 1 1 107 107 GLU CB C 107 28.881 28.881 28.408 0.473 17554 498 1 1 . 1 1 107 107 GLU H H 107 8.390 8.390 8.657 -0.267 17554 499 1 1 . 1 1 108 108 ARG N N 108 117.912 117.912 120.517 -2.605 17554 500 1 1 . 1 1 108 108 ARG HA H 108 4.265 4.265 4.234 0.031 17554 501 1 1 . 1 1 108 108 ARG CA C 108 58.748 58.748 58.627 0.121 17554 502 1 1 . 1 1 108 108 ARG CB C 108 30.650 30.650 29.827 0.823 17554 503 1 1 . 1 1 108 108 ARG H H 108 8.410 8.410 8.206 0.204 17554 504 1 1 . 1 1 109 109 ALA N N 109 127.124 127.124 123.306 3.818 17554 505 1 1 . 1 1 109 109 ALA HA H 109 3.900 3.900 4.102 -0.202 17554 506 1 1 . 1 1 109 109 ALA CA C 109 55.518 55.518 55.264 0.254 17554 507 1 1 . 1 1 109 109 ALA CB C 109 17.772 17.772 18.360 -0.589 17554 508 1 1 . 1 1 109 109 ALA H H 109 9.083 9.083 8.191 0.892 17554 509 1 1 . 1 1 110 110 LEU N N 110 118.715 118.715 119.090 -0.375 17554 510 1 1 . 1 1 110 110 LEU HA H 110 3.777 3.777 3.780 -0.003 17554 511 1 1 . 1 1 110 110 LEU CA C 110 57.997 57.997 58.032 -0.035 17554 512 1 1 . 1 1 110 110 LEU CB C 110 40.963 40.963 41.324 -0.361 17554 513 1 1 . 1 1 110 110 LEU H H 110 8.215 8.215 8.135 0.080 17554 514 1 1 . 1 1 111 111 ASP N N 111 118.516 118.516 119.839 -1.323 17554 515 1 1 . 1 1 111 111 ASP HA H 111 4.484 4.484 4.377 0.107 17554 516 1 1 . 1 1 111 111 ASP CA C 111 57.634 57.634 57.494 0.140 17554 517 1 1 . 1 1 111 111 ASP CB C 111 41.026 41.026 40.813 0.213 17554 518 1 1 . 1 1 111 111 ASP H H 111 7.400 7.400 8.411 -1.011 17554 519 1 1 . 1 1 112 112 TRP N N 112 122.780 122.780 121.065 1.715 17554 520 1 1 . 1 1 112 112 TRP HA H 112 4.097 4.097 4.338 -0.241 17554 521 1 1 . 1 1 112 112 TRP CA C 112 62.365 62.365 60.837 1.528 17554 522 1 1 . 1 1 112 112 TRP CB C 112 29.490 29.490 29.867 -0.377 17554 523 1 1 . 1 1 112 112 TRP H H 112 8.525 8.525 8.313 0.212 17554 524 1 1 . 1 1 113 113 ILE N N 113 122.469 122.469 118.373 4.096 17554 525 1 1 . 1 1 113 113 ILE HA H 113 3.575 3.575 3.518 0.057 17554 526 1 1 . 1 1 113 113 ILE CA C 113 66.239 66.239 65.050 1.189 17554 527 1 1 . 1 1 113 113 ILE CB C 113 37.688 37.688 37.460 0.228 17554 528 1 1 . 1 1 113 113 ILE H H 113 8.618 8.618 8.588 0.030 17554 529 1 1 . 1 1 114 114 PHE N N 114 118.665 118.665 120.908 -2.243 17554 530 1 1 . 1 1 114 114 PHE HA H 114 4.386 4.386 4.192 0.194 17554 531 1 1 . 1 1 114 114 PHE CA C 114 60.111 60.111 60.827 -0.716 17554 532 1 1 . 1 1 114 114 PHE CB C 114 38.344 38.344 39.604 -1.260 17554 533 1 1 . 1 1 114 114 PHE H H 114 8.109 8.109 8.639 -0.530 17554 534 1 1 . 1 1 115 115 SER N N 115 111.172 111.172 110.989 0.183 17554 535 1 1 . 1 1 115 115 SER HA H 115 4.333 4.333 4.211 0.122 17554 536 1 1 . 1 1 115 115 SER CA C 115 58.593 58.593 59.009 -0.416 17554 537 1 1 . 1 1 115 115 SER CB C 115 64.067 64.067 63.041 1.026 17554 538 1 1 . 1 1 115 115 SER H H 115 7.723 7.723 7.633 0.090 17554 539 1 1 . 1 1 116 116 HIS N N 116 119.686 119.686 122.653 -2.967 17554 540 1 1 . 1 1 116 116 HIS HA H 116 4.749 4.749 4.969 -0.220 17554 541 1 1 . 1 1 116 116 HIS CA C 116 54.476 54.476 53.173 1.303 17554 542 1 1 . 1 1 116 116 HIS CB C 116 27.310 27.310 30.541 -3.232 17554 543 1 1 . 1 1 116 116 HIS H H 116 7.407 7.407 7.717 -0.310 17554 544 1 1 . 1 1 117 117 PRO HA H 117 4.465 4.465 4.160 0.305 17554 545 1 1 . 1 1 117 117 PRO CA C 117 64.170 64.170 64.565 -0.395 17554 546 1 1 . 1 1 117 117 PRO CB C 117 31.939 31.939 32.249 -0.310 17554 547 1 1 . 1 1 118 118 GLU N N 118 119.986 119.986 113.791 6.195 17554 548 1 1 . 1 1 118 118 GLU HA H 118 4.338 4.338 4.144 0.194 17554 549 1 1 . 1 1 118 118 GLU CA C 118 56.440 56.440 56.302 0.138 17554 550 1 1 . 1 1 118 118 GLU CB C 118 29.469 29.469 30.063 -0.594 17554 551 1 1 . 1 1 118 118 GLU H H 118 8.667 8.667 8.175 0.492 17554 552 1 1 . 1 1 119 119 PHE N N 119 121.581 121.581 121.408 0.173 17554 553 1 1 . 1 1 119 119 PHE HA H 119 4.632 4.632 4.634 -0.002 17554 554 1 1 . 1 1 119 119 PHE CA C 119 57.981 57.981 56.931 1.050 17554 555 1 1 . 1 1 119 119 PHE CB C 119 39.805 39.805 39.724 0.081 17554 556 1 1 . 1 1 119 119 PHE H H 119 8.054 8.054 7.891 0.163 17554 557 1 1 . 1 1 120 120 GLU N N 120 123.882 123.882 119.616 4.266 17554 558 1 1 . 1 1 120 120 GLU HA H 120 4.273 4.273 3.963 0.310 17554 559 1 1 . 1 1 120 120 GLU CA C 120 56.127 56.127 56.961 -0.834 17554 560 1 1 . 1 1 120 120 GLU CB C 120 30.789 30.789 28.925 1.864 17554 561 1 1 . 1 1 120 120 GLU H H 120 8.264 8.264 8.087 0.177 17554 562 1 1 . 1 1 121 121 GLU N N 121 122.504 122.504 123.322 -0.818 17554 563 1 1 . 1 1 121 121 GLU HA H 121 4.213 4.213 4.310 -0.097 17554 564 1 1 . 1 1 121 121 GLU CA C 121 56.634 56.634 55.715 0.918 17554 565 1 1 . 1 1 121 121 GLU CB C 121 30.580 30.580 31.014 -0.434 17554 566 1 1 . 1 1 121 121 GLU H H 121 8.398 8.398 8.076 0.322 17554 567 1 1 . 1 1 122 122 ASP N N 122 121.820 121.820 117.729 4.091 17554 568 1 1 . 1 1 122 122 ASP HA H 122 4.627 4.627 4.731 -0.104 17554 569 1 1 . 1 1 122 122 ASP CA C 122 54.443 54.443 53.761 0.682 17554 570 1 1 . 1 1 122 122 ASP CB C 122 41.237 41.237 41.359 -0.122 17554 571 1 1 . 1 1 122 122 ASP H H 122 8.478 8.478 8.415 0.063 17554 572 1 1 . 1 1 123 123 SER N N 123 116.397 116.397 115.202 1.195 17554 573 1 1 . 1 1 123 123 SER HA H 123 4.392 4.392 4.488 -0.096 17554 574 1 1 . 1 1 123 123 SER CA C 123 58.605 58.605 57.778 0.827 17554 575 1 1 . 1 1 123 123 SER CB C 123 64.064 64.064 63.440 0.624 17554 576 1 1 . 1 1 123 123 SER H H 123 8.236 8.236 8.009 0.227 17554 577 1 1 . 1 1 124 124 ASP N N 124 122.070 122.070 121.419 0.651 17554 578 1 1 . 1 1 124 124 ASP HA H 124 4.599 4.599 4.513 0.086 17554 579 1 1 . 1 1 124 124 ASP CA C 124 54.501 54.501 54.691 -0.190 17554 580 1 1 . 1 1 124 124 ASP CB C 124 41.106 41.106 40.474 0.632 17554 581 1 1 . 1 1 124 124 ASP H H 124 8.378 8.378 7.844 0.534 17554 582 1 1 . 1 1 125 125 PHE N N 125 120.274 120.274 120.628 -0.354 17554 583 1 1 . 1 1 125 125 PHE HA H 125 4.623 4.623 4.237 0.386 17554 584 1 1 . 1 1 125 125 PHE CA C 125 57.913 57.913 57.988 -0.075 17554 585 1 1 . 1 1 125 125 PHE CB C 125 39.601 39.601 38.130 1.471 17554 586 1 1 . 1 1 125 125 PHE H H 125 8.049 8.049 8.107 -0.058 17554 587 1 2 . 1 1 2 2 ILE N N 2 117.266 117.266 119.988 -2.722 17554 588 1 2 . 1 1 2 2 ILE HA H 2 3.919 3.919 3.876 0.043 17554 589 1 2 . 1 1 2 2 ILE CA C 2 60.653 60.653 61.889 -1.236 17554 590 1 2 . 1 1 2 2 ILE CB C 2 41.029 41.029 36.855 4.174 17554 591 1 2 . 1 1 2 2 ILE H H 2 7.746 7.746 8.728 -0.982 17554 592 1 2 . 1 1 3 3 ASP N N 3 125.895 125.895 125.774 0.121 17554 593 1 2 . 1 1 3 3 ASP HA H 3 4.606 4.606 4.554 0.052 17554 594 1 2 . 1 1 3 3 ASP CA C 3 54.349 54.349 54.481 -0.132 17554 595 1 2 . 1 1 3 3 ASP CB C 3 41.214 41.214 40.461 0.753 17554 596 1 2 . 1 1 3 3 ASP H H 3 8.328 8.328 8.906 -0.578 17554 597 1 2 . 1 1 4 4 GLU N N 4 128.620 128.620 123.965 4.655 17554 598 1 2 . 1 1 4 4 GLU HA H 4 3.948 3.948 4.129 -0.181 17554 599 1 2 . 1 1 4 4 GLU CA C 4 58.981 58.981 58.798 0.183 17554 600 1 2 . 1 1 4 4 GLU CB C 4 29.631 29.631 29.573 0.058 17554 601 1 2 . 1 1 4 4 GLU H H 4 8.991 8.991 8.113 0.878 17554 602 1 2 . 1 1 5 5 SER N N 5 115.342 115.342 116.097 -0.755 17554 603 1 2 . 1 1 5 5 SER HA H 5 4.254 4.254 4.241 0.013 17554 604 1 2 . 1 1 5 5 SER CA C 5 61.961 61.961 61.557 0.404 17554 605 1 2 . 1 1 5 5 SER CB C 5 62.222 62.222 62.159 0.063 17554 606 1 2 . 1 1 5 5 SER H H 5 8.634 8.634 8.362 0.272 17554 607 1 2 . 1 1 6 6 SER N N 6 119.418 119.418 119.197 0.221 17554 608 1 2 . 1 1 6 6 SER HA H 6 4.354 4.354 4.200 0.154 17554 609 1 2 . 1 1 6 6 SER CA C 6 61.729 61.729 62.136 -0.407 17554 610 1 2 . 1 1 6 6 SER CB C 6 63.366 63.366 62.759 0.607 17554 611 1 2 . 1 1 6 6 SER H H 6 7.670 7.670 8.242 -0.572 17554 612 1 2 . 1 1 7 7 VAL N N 7 120.774 120.774 122.451 -1.677 17554 613 1 2 . 1 1 7 7 VAL HA H 7 3.234 3.234 3.836 -0.602 17554 614 1 2 . 1 1 7 7 VAL CA C 7 67.151 67.151 65.177 1.974 17554 615 1 2 . 1 1 7 7 VAL CB C 7 31.792 31.792 31.816 -0.024 17554 616 1 2 . 1 1 7 7 VAL H H 7 7.286 7.286 7.482 -0.196 17554 617 1 2 . 1 1 8 8 MET N N 8 116.159 116.159 118.125 -1.966 17554 618 1 2 . 1 1 8 8 MET HA H 8 4.356 4.356 4.008 0.348 17554 619 1 2 . 1 1 8 8 MET CA C 8 57.482 57.482 59.513 -2.031 17554 620 1 2 . 1 1 8 8 MET CB C 8 31.341 31.341 31.904 -0.563 17554 621 1 2 . 1 1 8 8 MET H H 8 8.244 8.244 8.154 0.090 17554 622 1 2 . 1 1 9 9 GLN N N 9 119.708 119.708 119.395 0.313 17554 623 1 2 . 1 1 9 9 GLN HA H 9 4.101 4.101 4.022 0.079 17554 624 1 2 . 1 1 9 9 GLN CA C 9 59.331 59.331 58.910 0.421 17554 625 1 2 . 1 1 9 9 GLN CB C 9 28.880 28.880 28.609 0.271 17554 626 1 2 . 1 1 9 9 GLN H H 9 7.855 7.855 7.878 -0.023 17554 627 1 2 . 1 1 10 10 LEU N N 10 118.986 118.986 118.385 0.601 17554 628 1 2 . 1 1 10 10 LEU HA H 10 4.463 4.463 4.092 0.371 17554 629 1 2 . 1 1 10 10 LEU CA C 10 57.438 57.438 57.272 0.166 17554 630 1 2 . 1 1 10 10 LEU CB C 10 42.943 42.943 41.483 1.460 17554 631 1 2 . 1 1 10 10 LEU H H 10 7.432 7.432 7.604 -0.172 17554 632 1 2 . 1 1 11 11 ALA N N 11 125.146 125.146 121.388 3.758 17554 633 1 2 . 1 1 11 11 ALA HA H 11 4.411 4.411 4.460 -0.049 17554 634 1 2 . 1 1 11 11 ALA CA C 11 55.259 55.259 54.378 0.881 17554 635 1 2 . 1 1 11 11 ALA CB C 11 17.734 17.734 18.723 -0.989 17554 636 1 2 . 1 1 11 11 ALA H H 11 8.797 8.797 8.273 0.524 17554 637 1 2 . 1 1 12 12 GLU N N 12 119.871 119.871 116.987 2.884 17554 638 1 2 . 1 1 12 12 GLU HA H 12 4.117 4.117 4.099 0.018 17554 639 1 2 . 1 1 12 12 GLU CA C 12 58.473 58.473 58.448 0.025 17554 640 1 2 . 1 1 12 12 GLU CB C 12 29.531 29.531 29.648 -0.117 17554 641 1 2 . 1 1 12 12 GLU H H 12 8.178 8.178 8.543 -0.365 17554 642 1 2 . 1 1 13 13 MET N N 13 116.292 116.292 112.466 3.826 17554 643 1 2 . 1 1 13 13 MET HA H 13 4.296 4.296 4.441 -0.145 17554 644 1 2 . 1 1 13 13 MET CA C 13 56.797 56.797 55.449 1.348 17554 645 1 2 . 1 1 13 13 MET CB C 13 33.221 33.221 33.273 -0.052 17554 646 1 2 . 1 1 13 13 MET H H 13 7.619 7.619 7.227 0.392 17554 647 1 2 . 1 1 14 14 GLY N N 14 104.580 104.580 107.856 -3.276 17554 648 1 2 . 1 1 14 14 GLY CA C 14 44.860 44.860 45.153 -0.293 17554 649 1 2 . 1 1 14 14 GLY H H 14 7.873 7.873 7.528 0.345 17554 650 1 2 . 1 1 15 15 PHE N N 15 118.802 118.802 118.641 0.161 17554 651 1 2 . 1 1 15 15 PHE HA H 15 5.017 5.017 5.036 -0.019 17554 652 1 2 . 1 1 15 15 PHE CA C 15 56.352 56.352 54.924 1.428 17554 653 1 2 . 1 1 15 15 PHE CB C 15 39.395 39.395 40.338 -0.943 17554 654 1 2 . 1 1 15 15 PHE H H 15 6.623 6.623 8.147 -1.524 17554 655 1 2 . 1 1 16 16 PRO HA H 16 4.530 4.530 4.506 0.024 17554 656 1 2 . 1 1 16 16 PRO CA C 16 63.064 63.064 62.931 0.133 17554 657 1 2 . 1 1 16 16 PRO CB C 16 32.293 32.293 30.848 1.445 17554 658 1 2 . 1 1 17 17 LEU N N 17 128.389 128.389 127.109 1.280 17554 659 1 2 . 1 1 17 17 LEU HA H 17 3.945 3.945 4.478 -0.533 17554 660 1 2 . 1 1 17 17 LEU CA C 17 59.601 59.601 53.131 6.470 17554 661 1 2 . 1 1 17 17 LEU CB C 17 42.248 42.248 39.620 2.628 17554 662 1 2 . 1 1 17 17 LEU H H 17 9.041 9.041 8.229 0.812 17554 663 1 2 . 1 1 18 18 GLU N N 18 114.837 114.837 125.101 -10.264 17554 664 1 2 . 1 1 18 18 GLU HA H 18 4.067 4.067 3.885 0.181 17554 665 1 2 . 1 1 18 18 GLU CA C 18 59.139 59.139 59.816 -0.677 17554 666 1 2 . 1 1 18 18 GLU CB C 18 28.874 28.874 29.922 -1.048 17554 667 1 2 . 1 1 18 18 GLU H H 18 9.267 9.267 8.375 0.892 17554 668 1 2 . 1 1 19 19 ALA N N 19 119.137 119.137 121.505 -2.368 17554 669 1 2 . 1 1 19 19 ALA HA H 19 3.918 3.918 4.160 -0.242 17554 670 1 2 . 1 1 19 19 ALA CA C 19 54.872 54.872 55.096 -0.224 17554 671 1 2 . 1 1 19 19 ALA CB C 19 17.972 17.972 18.176 -0.204 17554 672 1 2 . 1 1 19 19 ALA H H 19 6.838 6.838 8.399 -1.561 17554 673 1 2 . 1 1 20 20 CYS N N 20 116.877 116.877 117.342 -0.465 17554 674 1 2 . 1 1 20 20 CYS HA H 20 3.891 3.891 4.171 -0.280 17554 675 1 2 . 1 1 20 20 CYS CA C 20 63.356 63.356 62.350 1.006 17554 676 1 2 . 1 1 20 20 CYS CB C 20 28.018 28.018 27.619 0.399 17554 677 1 2 . 1 1 20 20 CYS H H 20 7.610 7.610 8.299 -0.689 17554 678 1 2 . 1 1 21 21 ARG N N 21 117.434 117.434 121.094 -3.660 17554 679 1 2 . 1 1 21 21 ARG HA H 21 3.696 3.696 3.903 -0.207 17554 680 1 2 . 1 1 21 21 ARG CA C 21 60.192 60.192 59.794 0.398 17554 681 1 2 . 1 1 21 21 ARG CB C 21 30.175 30.175 30.050 0.125 17554 682 1 2 . 1 1 21 21 ARG H H 21 7.965 7.965 7.784 0.181 17554 683 1 2 . 1 1 22 22 LYS N N 22 117.667 117.667 117.779 -0.112 17554 684 1 2 . 1 1 22 22 LYS HA H 22 3.412 3.412 4.187 -0.775 17554 685 1 2 . 1 1 22 22 LYS CA C 22 60.181 60.181 58.789 1.392 17554 686 1 2 . 1 1 22 22 LYS CB C 22 32.085 32.085 31.994 0.090 17554 687 1 2 . 1 1 22 22 LYS H H 22 7.392 7.392 8.218 -0.826 17554 688 1 2 . 1 1 23 23 ALA N N 23 120.670 120.670 123.426 -2.756 17554 689 1 2 . 1 1 23 23 ALA HA H 23 3.015 3.015 3.445 -0.430 17554 690 1 2 . 1 1 23 23 ALA CA C 23 54.845 54.845 54.358 0.486 17554 691 1 2 . 1 1 23 23 ALA CB C 23 19.900 19.900 17.534 2.366 17554 692 1 2 . 1 1 23 23 ALA H H 23 8.043 8.043 7.492 0.551 17554 693 1 2 . 1 1 24 24 VAL N N 24 117.629 117.629 119.898 -2.269 17554 694 1 2 . 1 1 24 24 VAL HA H 24 3.510 3.510 3.619 -0.109 17554 695 1 2 . 1 1 24 24 VAL CA C 24 65.665 65.665 66.723 -1.058 17554 696 1 2 . 1 1 24 24 VAL CB C 24 32.009 32.009 31.717 0.292 17554 697 1 2 . 1 1 24 24 VAL H H 24 7.381 7.381 8.557 -1.176 17554 698 1 2 . 1 1 25 25 TYR N N 25 120.392 120.392 120.710 -0.318 17554 699 1 2 . 1 1 25 25 TYR HA H 25 3.860 3.860 4.090 -0.230 17554 700 1 2 . 1 1 25 25 TYR CA C 25 62.098 62.098 60.995 1.103 17554 701 1 2 . 1 1 25 25 TYR CB C 25 38.735 38.735 38.557 0.178 17554 702 1 2 . 1 1 25 25 TYR H H 25 8.029 8.029 7.731 0.298 17554 703 1 2 . 1 1 26 26 PHE N N 26 116.460 116.460 118.834 -2.374 17554 704 1 2 . 1 1 26 26 PHE HA H 26 4.181 4.181 4.026 0.155 17554 705 1 2 . 1 1 26 26 PHE CA C 26 60.345 60.345 60.350 -0.005 17554 706 1 2 . 1 1 26 26 PHE CB C 26 37.917 37.917 39.209 -1.292 17554 707 1 2 . 1 1 26 26 PHE H H 26 9.102 9.102 7.894 1.208 17554 708 1 2 . 1 1 27 27 THR N N 27 106.212 106.212 109.498 -3.286 17554 709 1 2 . 1 1 27 27 THR HA H 27 4.477 4.477 4.115 0.362 17554 710 1 2 . 1 1 27 27 THR CA C 27 61.195 61.195 62.671 -1.476 17554 711 1 2 . 1 1 27 27 THR CB C 27 69.061 69.061 69.349 -0.288 17554 712 1 2 . 1 1 27 27 THR H H 27 7.050 7.050 8.093 -1.043 17554 713 1 2 . 1 1 28 28 GLY N N 28 107.275 107.275 109.632 -2.357 17554 714 1 2 . 1 1 28 28 GLY CA C 28 46.575 46.575 44.850 1.725 17554 715 1 2 . 1 1 28 28 GLY H H 28 7.278 7.278 7.274 0.004 17554 716 1 2 . 1 1 29 29 ASN N N 29 118.189 118.189 116.161 2.028 17554 717 1 2 . 1 1 29 29 ASN HA H 29 4.342 4.342 4.393 -0.051 17554 718 1 2 . 1 1 29 29 ASN CA C 29 53.614 53.614 53.811 -0.197 17554 719 1 2 . 1 1 29 29 ASN CB C 29 37.302 37.302 37.416 -0.114 17554 720 1 2 . 1 1 29 29 ASN H H 29 8.704 8.704 8.649 0.055 17554 721 1 2 . 1 1 30 30 MET N N 30 119.241 119.241 117.478 1.763 17554 722 1 2 . 1 1 30 30 MET HA H 30 4.791 4.791 4.501 0.290 17554 723 1 2 . 1 1 30 30 MET CA C 30 53.943 53.943 54.333 -0.390 17554 724 1 2 . 1 1 30 30 MET CB C 30 33.263 33.263 32.594 0.669 17554 725 1 2 . 1 1 30 30 MET H H 30 8.921 8.921 7.835 1.086 17554 726 1 2 . 1 1 31 31 GLY N N 31 109.623 109.623 105.773 3.850 17554 727 1 2 . 1 1 31 31 GLY CA C 31 44.151 44.151 44.316 -0.165 17554 728 1 2 . 1 1 31 31 GLY H H 31 8.349 8.349 7.561 0.788 17554 729 1 2 . 1 1 32 32 ALA N N 32 121.096 121.096 124.488 -3.392 17554 730 1 2 . 1 1 32 32 ALA HA H 32 3.980 3.980 4.007 -0.027 17554 731 1 2 . 1 1 32 32 ALA CA C 32 55.192 55.192 55.228 -0.036 17554 732 1 2 . 1 1 32 32 ALA CB C 32 19.058 19.058 18.921 0.137 17554 733 1 2 . 1 1 32 32 ALA H H 32 8.899 8.899 8.598 0.301 17554 734 1 2 . 1 1 33 33 GLU N N 33 119.428 119.428 118.575 0.853 17554 735 1 2 . 1 1 33 33 GLU HA H 33 4.095 4.095 4.082 0.013 17554 736 1 2 . 1 1 33 33 GLU CA C 33 60.864 60.864 59.274 1.590 17554 737 1 2 . 1 1 33 33 GLU CB C 33 28.661 28.661 29.210 -0.549 17554 738 1 2 . 1 1 33 33 GLU H H 33 8.705 8.705 8.690 0.015 17554 739 1 2 . 1 1 34 34 VAL N N 34 117.216 117.216 119.700 -2.484 17554 740 1 2 . 1 1 34 34 VAL HA H 34 4.062 4.062 3.843 0.219 17554 741 1 2 . 1 1 34 34 VAL CA C 34 65.178 65.178 66.295 -1.117 17554 742 1 2 . 1 1 34 34 VAL CB C 34 31.684 31.684 31.515 0.169 17554 743 1 2 . 1 1 34 34 VAL H H 34 8.178 8.178 7.963 0.215 17554 744 1 2 . 1 1 35 35 ALA N N 35 123.635 123.635 122.180 1.455 17554 745 1 2 . 1 1 35 35 ALA HA H 35 4.289 4.289 4.250 0.039 17554 746 1 2 . 1 1 35 35 ALA CA C 35 54.787 54.787 54.708 0.079 17554 747 1 2 . 1 1 35 35 ALA CB C 35 19.794 19.794 18.267 1.527 17554 748 1 2 . 1 1 35 35 ALA H H 35 7.178 7.178 7.726 -0.548 17554 749 1 2 . 1 1 36 36 PHE N N 36 120.976 120.976 120.534 0.442 17554 750 1 2 . 1 1 36 36 PHE HA H 36 4.079 4.079 4.146 -0.067 17554 751 1 2 . 1 1 36 36 PHE CA C 36 61.339 61.339 61.681 -0.341 17554 752 1 2 . 1 1 36 36 PHE CB C 36 38.952 38.952 39.381 -0.429 17554 753 1 2 . 1 1 36 36 PHE H H 36 8.832 8.832 8.815 0.017 17554 754 1 2 . 1 1 37 37 ASN N N 37 114.823 114.823 118.026 -3.203 17554 755 1 2 . 1 1 37 37 ASN HA H 37 4.318 4.318 4.288 0.030 17554 756 1 2 . 1 1 37 37 ASN CA C 37 56.379 56.379 56.336 0.043 17554 757 1 2 . 1 1 37 37 ASN CB C 37 38.288 38.288 37.980 0.308 17554 758 1 2 . 1 1 37 37 ASN H H 37 7.591 7.591 8.370 -0.779 17554 759 1 2 . 1 1 38 38 TRP N N 38 119.984 119.984 122.530 -2.546 17554 760 1 2 . 1 1 38 38 TRP HA H 38 4.191 4.191 4.335 -0.144 17554 761 1 2 . 1 1 38 38 TRP CA C 38 62.279 62.279 61.605 0.674 17554 762 1 2 . 1 1 38 38 TRP CB C 38 30.545 30.545 29.549 0.996 17554 763 1 2 . 1 1 38 38 TRP H H 38 7.630 7.630 7.981 -0.351 17554 764 1 2 . 1 1 39 39 ILE N N 39 121.183 121.183 120.438 0.745 17554 765 1 2 . 1 1 39 39 ILE HA H 39 3.647 3.647 3.909 -0.262 17554 766 1 2 . 1 1 39 39 ILE CA C 39 65.651 65.651 63.060 2.591 17554 767 1 2 . 1 1 39 39 ILE CB C 39 36.375 36.375 38.251 -1.876 17554 768 1 2 . 1 1 39 39 ILE H H 39 8.017 8.017 8.143 -0.126 17554 769 1 2 . 1 1 40 40 ILE N N 40 115.084 115.084 117.314 -2.230 17554 770 1 2 . 1 1 40 40 ILE HA H 40 3.665 3.665 3.719 -0.054 17554 771 1 2 . 1 1 40 40 ILE CA C 40 63.224 63.224 63.968 -0.744 17554 772 1 2 . 1 1 40 40 ILE CB C 40 36.681 36.681 37.072 -0.391 17554 773 1 2 . 1 1 40 40 ILE H H 40 7.474 7.474 7.804 -0.330 17554 774 1 2 . 1 1 41 41 VAL N N 41 116.045 116.045 118.635 -2.590 17554 775 1 2 . 1 1 41 41 VAL HA H 41 3.661 3.661 3.585 0.076 17554 776 1 2 . 1 1 41 41 VAL CA C 41 64.452 64.452 65.171 -0.719 17554 777 1 2 . 1 1 41 41 VAL CB C 41 32.156 32.156 31.892 0.264 17554 778 1 2 . 1 1 41 41 VAL H H 41 7.054 7.054 7.252 -0.198 17554 779 1 2 . 1 1 42 42 HIS N N 42 115.595 115.595 116.779 -1.184 17554 780 1 2 . 1 1 42 42 HIS HA H 42 4.098 4.098 4.497 -0.399 17554 781 1 2 . 1 1 42 42 HIS CA C 42 57.365 57.365 56.025 1.340 17554 782 1 2 . 1 1 42 42 HIS CB C 42 28.251 28.251 29.394 -1.143 17554 783 1 2 . 1 1 42 42 HIS H H 42 7.353 7.353 7.652 -0.299 17554 784 1 2 . 1 1 43 43 MET N N 43 117.495 117.495 118.611 -1.116 17554 785 1 2 . 1 1 43 43 MET HA H 43 2.064 2.064 4.243 -2.179 17554 786 1 2 . 1 1 43 43 MET CA C 43 57.980 57.980 57.398 0.582 17554 787 1 2 . 1 1 43 43 MET CB C 43 32.258 32.258 31.191 1.067 17554 788 1 2 . 1 1 43 43 MET H H 43 7.373 7.373 7.508 -0.135 17554 789 1 2 . 1 1 44 44 GLU N N 44 116.844 116.844 117.846 -1.002 17554 790 1 2 . 1 1 44 44 GLU HA H 44 4.346 4.346 4.078 0.268 17554 791 1 2 . 1 1 44 44 GLU CA C 44 55.838 55.838 57.215 -1.377 17554 792 1 2 . 1 1 44 44 GLU CB C 44 29.351 29.351 29.151 0.200 17554 793 1 2 . 1 1 44 44 GLU H H 44 8.102 8.102 8.345 -0.243 17554 794 1 2 . 1 1 45 45 GLU N N 45 121.925 121.925 121.035 0.890 17554 795 1 2 . 1 1 45 45 GLU HA H 45 4.426 4.426 4.523 -0.097 17554 796 1 2 . 1 1 45 45 GLU CA C 45 55.141 55.141 53.636 1.505 17554 797 1 2 . 1 1 45 45 GLU CB C 45 28.513 28.513 29.542 -1.029 17554 798 1 2 . 1 1 45 45 GLU H H 45 7.853 7.853 7.551 0.302 17554 799 1 2 . 1 1 46 46 PRO HA H 46 4.440 4.440 4.219 0.221 17554 800 1 2 . 1 1 46 46 PRO CA C 46 65.070 65.070 65.293 -0.223 17554 801 1 2 . 1 1 46 46 PRO CB C 46 31.850 31.850 32.254 -0.404 17554 802 1 2 . 1 1 47 47 ASP N N 47 115.051 115.051 119.146 -4.095 17554 803 1 2 . 1 1 47 47 ASP HA H 47 4.686 4.686 4.625 0.061 17554 804 1 2 . 1 1 47 47 ASP CA C 47 52.841 52.841 54.513 -1.672 17554 805 1 2 . 1 1 47 47 ASP CB C 47 39.711 39.711 40.535 -0.824 17554 806 1 2 . 1 1 47 47 ASP H H 47 8.437 8.437 8.546 -0.109 17554 807 1 2 . 1 1 48 48 PHE N N 48 122.693 122.693 117.990 4.703 17554 808 1 2 . 1 1 48 48 PHE HA H 48 4.522 4.522 4.275 0.247 17554 809 1 2 . 1 1 48 48 PHE CA C 48 60.887 60.887 59.429 1.458 17554 810 1 2 . 1 1 48 48 PHE CB C 48 40.495 40.495 38.675 1.820 17554 811 1 2 . 1 1 48 48 PHE H H 48 7.695 7.695 8.378 -0.683 17554 812 1 2 . 1 1 49 49 ALA N N 49 117.185 117.185 121.509 -4.324 17554 813 1 2 . 1 1 49 49 ALA HA H 49 4.099 4.099 4.494 -0.395 17554 814 1 2 . 1 1 49 49 ALA CA C 49 51.211 51.211 51.968 -0.757 17554 815 1 2 . 1 1 49 49 ALA CB C 49 19.067 19.067 20.295 -1.228 17554 816 1 2 . 1 1 49 49 ALA H H 49 8.643 8.643 7.368 1.275 17554 817 1 2 . 1 1 50 50 GLU N N 50 119.707 119.707 116.977 2.730 17554 818 1 2 . 1 1 50 50 GLU HA H 50 4.412 4.412 4.728 -0.316 17554 819 1 2 . 1 1 50 50 GLU CA C 50 54.755 54.755 53.128 1.627 17554 820 1 2 . 1 1 50 50 GLU CB C 50 29.274 29.274 31.638 -2.364 17554 821 1 2 . 1 1 50 50 GLU H H 50 7.412 7.412 8.104 -0.692 17554 822 1 2 . 1 1 51 51 PRO HA H 51 4.315 4.315 4.457 -0.142 17554 823 1 2 . 1 1 51 51 PRO CA C 51 62.863 62.863 63.190 -0.327 17554 824 1 2 . 1 1 51 51 PRO CB C 51 32.408 32.408 30.294 2.114 17554 825 1 2 . 1 1 52 52 LEU N N 52 123.507 123.507 124.374 -0.867 17554 826 1 2 . 1 1 52 52 LEU HA H 52 4.210 4.210 4.718 -0.508 17554 827 1 2 . 1 1 52 52 LEU CA C 52 55.217 55.217 54.434 0.783 17554 828 1 2 . 1 1 52 52 LEU CB C 52 42.918 42.918 44.380 -1.462 17554 829 1 2 . 1 1 52 52 LEU H H 52 8.475 8.475 7.971 0.504 17554 830 1 2 . 1 1 53 53 THR N N 53 119.005 119.005 122.193 -3.188 17554 831 1 2 . 1 1 53 53 THR HA H 53 4.292 4.292 4.199 0.093 17554 832 1 2 . 1 1 53 53 THR CA C 53 61.478 61.478 64.026 -2.548 17554 833 1 2 . 1 1 53 53 THR CB C 53 69.752 69.752 69.241 0.511 17554 834 1 2 . 1 1 53 53 THR H H 53 8.371 8.371 8.297 0.074 17554 835 1 2 . 1 1 54 54 MET N N 54 124.439 124.439 122.461 1.978 17554 836 1 2 . 1 1 54 54 MET HA H 54 4.651 4.651 4.392 0.259 17554 837 1 2 . 1 1 54 54 MET CA C 54 53.235 53.235 53.970 -0.735 17554 838 1 2 . 1 1 54 54 MET CB C 54 32.605 32.605 31.849 0.756 17554 839 1 2 . 1 1 54 54 MET H H 54 8.264 8.264 8.104 0.160 17554 840 1 2 . 1 1 55 55 PRO HA H 55 4.368 4.368 4.525 -0.157 17554 841 1 2 . 1 1 55 55 PRO CA C 55 63.668 63.668 62.576 1.092 17554 842 1 2 . 1 1 55 55 PRO CB C 55 32.038 32.038 32.231 -0.193 17554 843 1 2 . 1 1 56 56 GLY N N 56 109.663 109.663 111.440 -1.777 17554 844 1 2 . 1 1 56 56 GLY CA C 56 45.314 45.314 44.600 0.714 17554 845 1 2 . 1 1 56 56 GLY H H 56 8.461 8.461 8.499 -0.038 17554 846 1 2 . 1 1 57 57 TYR N N 57 120.317 120.317 126.153 -5.836 17554 847 1 2 . 1 1 57 57 TYR HA H 57 4.528 4.528 4.198 0.330 17554 848 1 2 . 1 1 57 57 TYR CA C 57 58.132 58.132 58.697 -0.565 17554 849 1 2 . 1 1 57 57 TYR CB C 57 38.958 38.958 38.142 0.817 17554 850 1 2 . 1 1 57 57 TYR H H 57 8.033 8.033 7.997 0.036 17554 851 1 2 . 1 1 58 58 GLY N N 58 111.694 111.694 115.492 -3.798 17554 852 1 2 . 1 1 58 58 GLY CA C 58 45.489 45.489 44.598 0.891 17554 853 1 2 . 1 1 58 58 GLY H H 58 8.423 8.423 8.060 0.363 17554 854 1 2 . 1 1 59 59 GLY N N 59 108.403 108.403 107.490 0.913 17554 855 1 2 . 1 1 59 59 GLY CA C 59 45.210 45.210 44.439 0.771 17554 856 1 2 . 1 1 59 59 GLY H H 59 7.871 7.871 7.920 -0.049 17554 857 1 2 . 1 1 60 60 ALA N N 60 123.835 123.835 122.756 1.079 17554 858 1 2 . 1 1 60 60 ALA HA H 60 4.294 4.294 4.340 -0.046 17554 859 1 2 . 1 1 60 60 ALA CA C 60 52.710 52.710 52.676 0.034 17554 860 1 2 . 1 1 60 60 ALA CB C 60 19.353 19.353 19.446 -0.093 17554 861 1 2 . 1 1 60 60 ALA H H 60 8.207 8.207 7.189 1.018 17554 862 1 2 . 1 1 61 61 ALA N N 61 123.032 123.032 122.304 0.728 17554 863 1 2 . 1 1 61 61 ALA HA H 61 4.316 4.316 4.496 -0.180 17554 864 1 2 . 1 1 61 61 ALA CA C 61 52.751 52.751 51.349 1.402 17554 865 1 2 . 1 1 61 61 ALA CB C 61 19.096 19.096 17.817 1.280 17554 866 1 2 . 1 1 61 61 ALA H H 61 8.331 8.331 7.750 0.581 17554 867 1 2 . 1 1 62 62 SER N N 62 114.625 114.625 120.521 -5.896 17554 868 1 2 . 1 1 62 62 SER HA H 62 4.406 4.406 4.207 0.199 17554 869 1 2 . 1 1 62 62 SER CA C 62 58.283 58.283 61.055 -2.772 17554 870 1 2 . 1 1 62 62 SER CB C 62 63.858 63.858 63.429 0.429 17554 871 1 2 . 1 1 62 62 SER H H 62 8.158 8.158 8.506 -0.348 17554 872 1 2 . 1 1 63 63 ALA N N 63 125.890 125.890 123.603 2.287 17554 873 1 2 . 1 1 63 63 ALA HA H 63 4.314 4.314 4.713 -0.399 17554 874 1 2 . 1 1 63 63 ALA CA C 63 52.926 52.926 51.093 1.833 17554 875 1 2 . 1 1 63 63 ALA CB C 63 19.216 19.216 18.766 0.450 17554 876 1 2 . 1 1 63 63 ALA H H 63 8.294 8.294 8.208 0.086 17554 877 1 2 . 1 1 64 64 GLY N N 64 107.980 107.980 109.553 -1.573 17554 878 1 2 . 1 1 64 64 GLY CA C 64 45.324 45.324 46.205 -0.881 17554 879 1 2 . 1 1 64 64 GLY H H 64 8.321 8.321 7.593 0.728 17554 880 1 2 . 1 1 65 65 ALA N N 65 123.524 123.524 124.867 -1.343 17554 881 1 2 . 1 1 65 65 ALA HA H 65 4.330 4.330 4.485 -0.155 17554 882 1 2 . 1 1 65 65 ALA CA C 65 52.589 52.589 53.081 -0.492 17554 883 1 2 . 1 1 65 65 ALA CB C 65 19.438 19.438 19.213 0.225 17554 884 1 2 . 1 1 65 65 ALA H H 65 8.088 8.088 8.581 -0.493 17554 885 1 2 . 1 1 66 66 SER N N 66 115.072 115.072 111.588 3.484 17554 886 1 2 . 1 1 66 66 SER HA H 66 4.442 4.442 4.201 0.241 17554 887 1 2 . 1 1 66 66 SER CA C 66 58.334 58.334 59.301 -0.967 17554 888 1 2 . 1 1 66 66 SER CB C 66 63.804 63.804 61.501 2.303 17554 889 1 2 . 1 1 66 66 SER H H 66 8.297 8.297 8.442 -0.145 17554 890 1 2 . 1 1 67 67 VAL N N 67 121.228 121.228 118.669 2.559 17554 891 1 2 . 1 1 67 67 VAL HA H 67 4.075 4.075 4.234 -0.159 17554 892 1 2 . 1 1 67 67 VAL CA C 67 62.417 62.417 61.212 1.206 17554 893 1 2 . 1 1 67 67 VAL CB C 67 32.611 32.611 32.664 -0.053 17554 894 1 2 . 1 1 67 67 VAL H H 67 8.007 8.007 7.703 0.304 17554 895 1 2 . 1 1 68 68 PHE N N 68 123.068 123.068 124.314 -1.246 17554 896 1 2 . 1 1 68 68 PHE HA H 68 4.618 4.618 5.013 -0.395 17554 897 1 2 . 1 1 68 68 PHE CA C 68 57.981 57.981 57.212 0.768 17554 898 1 2 . 1 1 68 68 PHE CB C 68 39.618 39.618 39.453 0.165 17554 899 1 2 . 1 1 68 68 PHE H H 68 8.255 8.255 7.997 0.258 17554 900 1 2 . 1 1 69 69 GLY N N 69 110.709 110.709 110.472 0.237 17554 901 1 2 . 1 1 69 69 GLY CA C 69 45.339 45.339 44.148 1.190 17554 902 1 2 . 1 1 69 69 GLY H H 69 8.234 8.234 8.634 -0.400 17554 903 1 2 . 1 1 70 70 ALA N N 70 123.857 123.857 122.153 1.704 17554 904 1 2 . 1 1 70 70 ALA HA H 70 4.348 4.348 4.573 -0.225 17554 905 1 2 . 1 1 70 70 ALA CA C 70 52.626 52.626 52.962 -0.336 17554 906 1 2 . 1 1 70 70 ALA CB C 70 19.386 19.386 18.954 0.432 17554 907 1 2 . 1 1 70 70 ALA H H 70 8.140 8.140 8.481 -0.341 17554 908 1 2 . 1 1 71 71 SER N N 71 115.019 115.019 112.692 2.327 17554 909 1 2 . 1 1 71 71 SER HA H 71 4.441 4.441 4.180 0.261 17554 910 1 2 . 1 1 71 71 SER CA C 71 58.592 58.592 60.114 -1.522 17554 911 1 2 . 1 1 71 71 SER CB C 71 63.975 63.975 62.457 1.518 17554 912 1 2 . 1 1 71 71 SER H H 71 8.379 8.379 8.554 -0.175 17554 913 1 2 . 1 1 72 72 GLY N N 72 110.640 110.640 109.499 1.141 17554 914 1 2 . 1 1 72 72 GLY CA C 72 45.546 45.546 45.450 0.096 17554 915 1 2 . 1 1 72 72 GLY H H 72 8.395 8.395 8.267 0.128 17554 916 1 2 . 1 1 73 73 LEU N N 73 121.191 121.191 123.052 -1.861 17554 917 1 2 . 1 1 73 73 LEU HA H 73 4.319 4.319 4.509 -0.190 17554 918 1 2 . 1 1 73 73 LEU CA C 73 55.292 55.292 54.296 0.996 17554 919 1 2 . 1 1 73 73 LEU CB C 73 42.355 42.355 41.897 0.458 17554 920 1 2 . 1 1 73 73 LEU H H 73 8.088 8.088 8.465 -0.377 17554 921 1 2 . 1 1 74 74 ASP N N 74 120.099 120.099 121.057 -0.958 17554 922 1 2 . 1 1 74 74 ASP HA H 74 4.549 4.549 4.761 -0.212 17554 923 1 2 . 1 1 74 74 ASP CA C 74 54.451 54.451 54.055 0.396 17554 924 1 2 . 1 1 74 74 ASP CB C 74 41.071 41.071 40.190 0.881 17554 925 1 2 . 1 1 74 74 ASP H H 74 8.312 8.312 8.026 0.286 17554 926 1 2 . 1 1 75 75 ASN N N 75 118.544 118.544 121.640 -3.096 17554 927 1 2 . 1 1 75 75 ASN HA H 75 4.627 4.627 4.707 -0.080 17554 928 1 2 . 1 1 75 75 ASN CA C 75 53.043 53.043 53.348 -0.305 17554 929 1 2 . 1 1 75 75 ASN CB C 75 38.723 38.723 40.425 -1.702 17554 930 1 2 . 1 1 75 75 ASN H H 75 8.254 8.254 8.196 0.058 17554 931 1 2 . 1 1 76 76 GLN N N 76 121.475 121.475 124.376 -2.901 17554 932 1 2 . 1 1 76 76 GLN HA H 76 4.527 4.527 4.560 -0.033 17554 933 1 2 . 1 1 76 76 GLN CA C 76 53.613 53.613 53.554 0.059 17554 934 1 2 . 1 1 76 76 GLN CB C 76 28.697 28.697 29.967 -1.270 17554 935 1 2 . 1 1 76 76 GLN H H 76 8.228 8.228 8.490 -0.262 17554 936 1 2 . 1 1 77 77 PRO HA H 77 4.566 4.566 4.420 0.146 17554 937 1 2 . 1 1 77 77 PRO CA C 77 61.219 61.219 62.080 -0.861 17554 938 1 2 . 1 1 77 77 PRO CB C 77 31.453 31.453 31.330 0.123 17554 939 1 2 . 1 1 78 78 PRO HA H 78 4.449 4.449 4.471 -0.022 17554 940 1 2 . 1 1 78 78 PRO CA C 78 62.743 62.743 62.911 -0.168 17554 941 1 2 . 1 1 78 78 PRO CB C 78 32.168 32.168 31.954 0.214 17554 942 1 2 . 1 1 79 79 GLU N N 79 127.716 127.716 126.645 1.071 17554 943 1 2 . 1 1 79 79 GLU HA H 79 3.843 3.843 3.837 0.006 17554 944 1 2 . 1 1 79 79 GLU CA C 79 59.074 59.074 59.847 -0.773 17554 945 1 2 . 1 1 79 79 GLU CB C 79 28.921 28.921 28.831 0.090 17554 946 1 2 . 1 1 79 79 GLU H H 79 9.073 9.073 8.965 0.108 17554 947 1 2 . 1 1 80 80 GLU N N 80 117.579 117.579 120.430 -2.851 17554 948 1 2 . 1 1 80 80 GLU HA H 80 4.120 4.120 4.104 0.016 17554 949 1 2 . 1 1 80 80 GLU CA C 80 59.468 59.468 59.171 0.297 17554 950 1 2 . 1 1 80 80 GLU CB C 80 28.680 28.680 29.142 -0.462 17554 951 1 2 . 1 1 80 80 GLU H H 80 9.604 9.604 8.754 0.850 17554 952 1 2 . 1 1 81 81 ILE N N 81 117.488 117.488 119.719 -2.231 17554 953 1 2 . 1 1 81 81 ILE HA H 81 4.068 4.068 3.867 0.201 17554 954 1 2 . 1 1 81 81 ILE CA C 81 63.261 63.261 64.340 -1.079 17554 955 1 2 . 1 1 81 81 ILE CB C 81 37.248 37.248 38.347 -1.099 17554 956 1 2 . 1 1 81 81 ILE H H 81 7.172 7.172 7.594 -0.422 17554 957 1 2 . 1 1 82 82 VAL N N 82 121.739 121.739 118.435 3.304 17554 958 1 2 . 1 1 82 82 VAL HA H 82 3.143 3.143 3.665 -0.522 17554 959 1 2 . 1 1 82 82 VAL CA C 82 67.507 67.507 66.550 0.957 17554 960 1 2 . 1 1 82 82 VAL CB C 82 31.816 31.816 31.231 0.585 17554 961 1 2 . 1 1 82 82 VAL H H 82 7.591 7.591 8.604 -1.013 17554 962 1 2 . 1 1 83 83 ALA N N 83 118.311 118.311 123.244 -4.933 17554 963 1 2 . 1 1 83 83 ALA HA H 83 4.341 4.341 4.030 0.311 17554 964 1 2 . 1 1 83 83 ALA CA C 83 54.186 54.186 55.194 -1.008 17554 965 1 2 . 1 1 83 83 ALA CB C 83 18.026 18.026 18.353 -0.327 17554 966 1 2 . 1 1 83 83 ALA H H 83 8.260 8.260 7.748 0.512 17554 967 1 2 . 1 1 84 84 ILE N N 84 119.780 119.780 119.796 -0.016 17554 968 1 2 . 1 1 84 84 ILE HA H 84 3.737 3.737 3.598 0.139 17554 969 1 2 . 1 1 84 84 ILE CA C 84 65.095 65.095 65.531 -0.436 17554 970 1 2 . 1 1 84 84 ILE CB C 84 38.070 38.070 38.014 0.056 17554 971 1 2 . 1 1 84 84 ILE H H 84 7.298 7.298 7.716 -0.418 17554 972 1 2 . 1 1 85 85 ILE N N 85 119.424 119.424 119.093 0.331 17554 973 1 2 . 1 1 85 85 ILE HA H 85 3.884 3.884 3.749 0.135 17554 974 1 2 . 1 1 85 85 ILE CA C 85 66.207 66.207 65.939 0.269 17554 975 1 2 . 1 1 85 85 ILE CB C 85 38.043 38.043 37.942 0.101 17554 976 1 2 . 1 1 85 85 ILE H H 85 7.426 7.426 8.627 -1.201 17554 977 1 2 . 1 1 86 86 THR N N 86 112.538 112.538 114.180 -1.642 17554 978 1 2 . 1 1 86 86 THR HA H 86 4.669 4.669 4.342 0.327 17554 979 1 2 . 1 1 86 86 THR CA C 86 64.995 64.995 65.157 -0.162 17554 980 1 2 . 1 1 86 86 THR CB C 86 68.293 68.293 68.511 -0.218 17554 981 1 2 . 1 1 86 86 THR H H 86 9.097 9.097 8.223 0.874 17554 982 1 2 . 1 1 87 87 SER N N 87 120.681 120.681 117.291 3.390 17554 983 1 2 . 1 1 87 87 SER HA H 87 4.397 4.397 4.378 0.019 17554 984 1 2 . 1 1 87 87 SER CA C 87 61.715 61.715 60.593 1.122 17554 985 1 2 . 1 1 87 87 SER CB C 87 62.804 62.804 63.097 -0.293 17554 986 1 2 . 1 1 87 87 SER H H 87 8.250 8.250 8.059 0.191 17554 987 1 2 . 1 1 88 88 MET N N 88 119.753 119.753 118.372 1.381 17554 988 1 2 . 1 1 88 88 MET HA H 88 4.399 4.399 4.380 0.019 17554 989 1 2 . 1 1 88 88 MET CA C 88 56.596 56.596 55.524 1.072 17554 990 1 2 . 1 1 88 88 MET CB C 88 33.330 33.330 32.669 0.661 17554 991 1 2 . 1 1 88 88 MET H H 88 7.550 7.550 7.817 -0.267 17554 992 1 2 . 1 1 89 89 GLY N N 89 105.282 105.282 103.717 1.565 17554 993 1 2 . 1 1 89 89 GLY CA C 89 44.767 44.767 44.644 0.123 17554 994 1 2 . 1 1 89 89 GLY H H 89 7.866 7.866 7.502 0.364 17554 995 1 2 . 1 1 90 90 PHE N N 90 118.182 118.182 120.719 -2.537 17554 996 1 2 . 1 1 90 90 PHE HA H 90 4.721 4.721 4.876 -0.155 17554 997 1 2 . 1 1 90 90 PHE CA C 90 57.670 57.670 56.175 1.496 17554 998 1 2 . 1 1 90 90 PHE CB C 90 39.706 39.706 40.478 -0.772 17554 999 1 2 . 1 1 90 90 PHE H H 90 6.675 6.675 7.574 -0.899 17554 1000 1 2 . 1 1 91 91 GLN N N 91 118.581 118.581 118.037 0.544 17554 1001 1 2 . 1 1 91 91 GLN HA H 91 4.356 4.356 4.678 -0.322 17554 1002 1 2 . 1 1 91 91 GLN CA C 91 55.485 55.485 54.345 1.140 17554 1003 1 2 . 1 1 91 91 GLN CB C 91 29.969 29.969 31.628 -1.659 17554 1004 1 2 . 1 1 91 91 GLN H H 91 8.854 8.854 8.598 0.256 17554 1005 1 2 . 1 1 92 92 ARG N N 92 124.037 124.037 127.427 -3.390 17554 1006 1 2 . 1 1 92 92 ARG HA H 92 3.624 3.624 4.100 -0.476 17554 1007 1 2 . 1 1 92 92 ARG CA C 92 60.847 60.847 60.590 0.258 17554 1008 1 2 . 1 1 92 92 ARG CB C 92 29.579 29.579 29.917 -0.338 17554 1009 1 2 . 1 1 92 92 ARG H H 92 9.124 9.124 8.905 0.219 17554 1010 1 2 . 1 1 93 93 ASN N N 93 115.060 115.060 117.731 -2.671 17554 1011 1 2 . 1 1 93 93 ASN HA H 93 4.395 4.395 4.492 -0.097 17554 1012 1 2 . 1 1 93 93 ASN CA C 93 56.562 56.562 56.121 0.441 17554 1013 1 2 . 1 1 93 93 ASN CB C 93 37.059 37.059 37.596 -0.537 17554 1014 1 2 . 1 1 93 93 ASN H H 93 9.117 9.117 8.556 0.561 17554 1015 1 2 . 1 1 94 94 GLN N N 94 119.980 119.980 118.831 1.149 17554 1016 1 2 . 1 1 94 94 GLN HA H 94 3.933 3.933 4.116 -0.183 17554 1017 1 2 . 1 1 94 94 GLN CA C 94 58.775 58.775 59.289 -0.514 17554 1018 1 2 . 1 1 94 94 GLN CB C 94 29.075 29.075 28.400 0.675 17554 1019 1 2 . 1 1 94 94 GLN H H 94 7.033 7.033 8.500 -1.467 17554 1020 1 2 . 1 1 95 95 ALA N N 95 120.823 120.823 122.818 -1.995 17554 1021 1 2 . 1 1 95 95 ALA HA H 95 3.761 3.761 4.020 -0.259 17554 1022 1 2 . 1 1 95 95 ALA CA C 95 55.680 55.680 55.146 0.534 17554 1023 1 2 . 1 1 95 95 ALA CB C 95 19.601 19.601 18.497 1.104 17554 1024 1 2 . 1 1 95 95 ALA H H 95 7.996 7.996 8.400 -0.404 17554 1025 1 2 . 1 1 96 96 ILE N N 96 116.250 116.250 120.276 -4.026 17554 1026 1 2 . 1 1 96 96 ILE HA H 96 3.420 3.420 3.523 -0.103 17554 1027 1 2 . 1 1 96 96 ILE CA C 96 65.611 65.611 66.140 -0.529 17554 1028 1 2 . 1 1 96 96 ILE CB C 96 37.869 37.869 37.915 -0.046 17554 1029 1 2 . 1 1 96 96 ILE H H 96 8.408 8.408 8.362 0.046 17554 1030 1 2 . 1 1 97 97 GLN N N 97 118.601 118.601 119.213 -0.612 17554 1031 1 2 . 1 1 97 97 GLN HA H 97 3.734 3.734 3.815 -0.081 17554 1032 1 2 . 1 1 97 97 GLN CA C 97 59.011 59.011 59.394 -0.383 17554 1033 1 2 . 1 1 97 97 GLN CB C 97 28.425 28.425 28.663 -0.239 17554 1034 1 2 . 1 1 97 97 GLN H H 97 7.767 7.767 7.952 -0.185 17554 1035 1 2 . 1 1 98 98 ALA N N 98 121.375 121.375 122.792 -1.417 17554 1036 1 2 . 1 1 98 98 ALA HA H 98 2.748 2.748 3.673 -0.925 17554 1037 1 2 . 1 1 98 98 ALA CA C 98 54.408 54.408 55.092 -0.684 17554 1038 1 2 . 1 1 98 98 ALA CB C 98 20.084 20.084 18.414 1.670 17554 1039 1 2 . 1 1 98 98 ALA H H 98 7.905 7.905 7.794 0.111 17554 1040 1 2 . 1 1 99 99 LEU N N 99 118.409 118.409 118.897 -0.488 17554 1041 1 2 . 1 1 99 99 LEU HA H 99 3.717 3.717 4.035 -0.318 17554 1042 1 2 . 1 1 99 99 LEU CA C 99 57.529 57.529 57.260 0.269 17554 1043 1 2 . 1 1 99 99 LEU CB C 99 40.714 40.714 41.450 -0.736 17554 1044 1 2 . 1 1 99 99 LEU H H 99 7.938 7.938 8.307 -0.369 17554 1045 1 2 . 1 1 100 100 ARG N N 100 119.771 119.771 119.058 0.713 17554 1046 1 2 . 1 1 100 100 ARG HA H 100 4.107 4.107 3.880 0.227 17554 1047 1 2 . 1 1 100 100 ARG CA C 100 59.182 59.182 59.328 -0.146 17554 1048 1 2 . 1 1 100 100 ARG CB C 100 30.021 30.021 29.877 0.144 17554 1049 1 2 . 1 1 100 100 ARG H H 100 8.248 8.248 8.381 -0.133 17554 1050 1 2 . 1 1 101 101 ALA N N 101 119.288 119.288 119.483 -0.195 17554 1051 1 2 . 1 1 101 101 ALA HA H 101 3.983 3.983 4.016 -0.034 17554 1052 1 2 . 1 1 101 101 ALA CA C 101 53.663 53.663 53.989 -0.326 17554 1053 1 2 . 1 1 101 101 ALA CB C 101 17.946 17.946 17.916 0.030 17554 1054 1 2 . 1 1 101 101 ALA H H 101 7.324 7.324 7.260 0.064 17554 1055 1 2 . 1 1 102 102 THR N N 102 105.233 105.233 109.045 -3.812 17554 1056 1 2 . 1 1 102 102 THR HA H 102 4.429 4.429 4.176 0.253 17554 1057 1 2 . 1 1 102 102 THR CA C 102 60.535 60.535 62.150 -1.615 17554 1058 1 2 . 1 1 102 102 THR CB C 102 71.036 71.036 69.579 1.456 17554 1059 1 2 . 1 1 102 102 THR H H 102 7.113 7.113 7.781 -0.668 17554 1060 1 2 . 1 1 103 103 ASN N N 103 119.293 119.293 120.620 -1.327 17554 1061 1 2 . 1 1 103 103 ASN HA H 103 4.343 4.343 4.358 -0.015 17554 1062 1 2 . 1 1 103 103 ASN CA C 103 54.462 54.462 54.158 0.304 17554 1063 1 2 . 1 1 103 103 ASN CB C 103 36.960 36.960 37.283 -0.323 17554 1064 1 2 . 1 1 103 103 ASN H H 103 7.701 7.701 7.749 -0.048 17554 1065 1 2 . 1 1 104 104 ASN N N 104 108.274 108.274 110.817 -2.543 17554 1066 1 2 . 1 1 104 104 ASN HA H 104 3.956 3.956 4.187 -0.231 17554 1067 1 2 . 1 1 104 104 ASN CA C 104 54.757 54.757 54.754 0.003 17554 1068 1 2 . 1 1 104 104 ASN CB C 104 36.151 36.151 36.962 -0.811 17554 1069 1 2 . 1 1 104 104 ASN H H 104 9.048 9.048 8.809 0.239 17554 1070 1 2 . 1 1 105 105 ASN N N 105 118.458 118.458 118.546 -0.088 17554 1071 1 2 . 1 1 105 105 ASN HA H 105 4.728 4.728 4.807 -0.079 17554 1072 1 2 . 1 1 105 105 ASN CA C 105 53.081 53.081 52.384 0.697 17554 1073 1 2 . 1 1 105 105 ASN CB C 105 40.405 40.405 39.396 1.009 17554 1074 1 2 . 1 1 105 105 ASN H H 105 7.061 7.061 7.528 -0.467 17554 1075 1 2 . 1 1 106 106 LEU N N 106 128.727 128.727 128.192 0.535 17554 1076 1 2 . 1 1 106 106 LEU HA H 106 3.732 3.732 3.965 -0.233 17554 1077 1 2 . 1 1 106 106 LEU CA C 106 59.307 59.307 59.288 0.019 17554 1078 1 2 . 1 1 106 106 LEU CB C 106 42.071 42.071 42.153 -0.082 17554 1079 1 2 . 1 1 106 106 LEU H H 106 8.718 8.718 8.347 0.371 17554 1080 1 2 . 1 1 107 107 GLU N N 107 117.325 117.325 118.049 -0.724 17554 1081 1 2 . 1 1 107 107 GLU HA H 107 3.890 3.890 3.942 -0.052 17554 1082 1 2 . 1 1 107 107 GLU CA C 107 60.871 60.871 59.781 1.090 17554 1083 1 2 . 1 1 107 107 GLU CB C 107 28.881 28.881 28.916 -0.035 17554 1084 1 2 . 1 1 107 107 GLU H H 107 8.390 8.390 8.322 0.068 17554 1085 1 2 . 1 1 108 108 ARG N N 108 117.912 117.912 119.913 -2.001 17554 1086 1 2 . 1 1 108 108 ARG HA H 108 4.265 4.265 4.148 0.117 17554 1087 1 2 . 1 1 108 108 ARG CA C 108 58.748 58.748 58.898 -0.149 17554 1088 1 2 . 1 1 108 108 ARG CB C 108 30.650 30.650 30.254 0.396 17554 1089 1 2 . 1 1 108 108 ARG H H 108 8.410 8.410 8.900 -0.490 17554 1090 1 2 . 1 1 109 109 ALA N N 109 127.124 127.124 123.421 3.703 17554 1091 1 2 . 1 1 109 109 ALA HA H 109 3.900 3.900 4.109 -0.209 17554 1092 1 2 . 1 1 109 109 ALA CA C 109 55.518 55.518 55.307 0.211 17554 1093 1 2 . 1 1 109 109 ALA CB C 109 17.772 17.772 18.354 -0.582 17554 1094 1 2 . 1 1 109 109 ALA H H 109 9.083 9.083 8.321 0.762 17554 1095 1 2 . 1 1 110 110 LEU N N 110 118.715 118.715 119.048 -0.333 17554 1096 1 2 . 1 1 110 110 LEU HA H 110 3.777 3.777 3.797 -0.020 17554 1097 1 2 . 1 1 110 110 LEU CA C 110 57.997 57.997 58.087 -0.089 17554 1098 1 2 . 1 1 110 110 LEU CB C 110 40.963 40.963 41.447 -0.484 17554 1099 1 2 . 1 1 110 110 LEU H H 110 8.215 8.215 8.160 0.055 17554 1100 1 2 . 1 1 111 111 ASP N N 111 118.516 118.516 119.917 -1.401 17554 1101 1 2 . 1 1 111 111 ASP HA H 111 4.484 4.484 4.350 0.134 17554 1102 1 2 . 1 1 111 111 ASP CA C 111 57.634 57.634 58.245 -0.611 17554 1103 1 2 . 1 1 111 111 ASP CB C 111 41.026 41.026 40.967 0.059 17554 1104 1 2 . 1 1 111 111 ASP H H 111 7.400 7.400 8.382 -0.982 17554 1105 1 2 . 1 1 112 112 TRP N N 112 122.780 122.780 120.788 1.992 17554 1106 1 2 . 1 1 112 112 TRP HA H 112 4.097 4.097 4.353 -0.256 17554 1107 1 2 . 1 1 112 112 TRP CA C 112 62.365 62.365 61.049 1.316 17554 1108 1 2 . 1 1 112 112 TRP CB C 112 29.490 29.490 29.817 -0.327 17554 1109 1 2 . 1 1 112 112 TRP H H 112 8.525 8.525 8.345 0.180 17554 1110 1 2 . 1 1 113 113 ILE N N 113 122.469 122.469 119.471 2.998 17554 1111 1 2 . 1 1 113 113 ILE HA H 113 3.575 3.575 3.608 -0.033 17554 1112 1 2 . 1 1 113 113 ILE CA C 113 66.239 66.239 65.122 1.117 17554 1113 1 2 . 1 1 113 113 ILE CB C 113 37.688 37.688 37.022 0.666 17554 1114 1 2 . 1 1 113 113 ILE H H 113 8.618 8.618 8.741 -0.123 17554 1115 1 2 . 1 1 114 114 PHE N N 114 118.665 118.665 120.729 -2.064 17554 1116 1 2 . 1 1 114 114 PHE HA H 114 4.386 4.386 4.195 0.191 17554 1117 1 2 . 1 1 114 114 PHE CA C 114 60.111 60.111 60.824 -0.713 17554 1118 1 2 . 1 1 114 114 PHE CB C 114 38.344 38.344 39.067 -0.723 17554 1119 1 2 . 1 1 114 114 PHE H H 114 8.109 8.109 8.606 -0.497 17554 1120 1 2 . 1 1 115 115 SER N N 115 111.172 111.172 111.133 0.039 17554 1121 1 2 . 1 1 115 115 SER HA H 115 4.333 4.333 4.147 0.186 17554 1122 1 2 . 1 1 115 115 SER CA C 115 58.593 58.593 59.381 -0.788 17554 1123 1 2 . 1 1 115 115 SER CB C 115 64.067 64.067 63.065 1.002 17554 1124 1 2 . 1 1 115 115 SER H H 115 7.723 7.723 7.340 0.383 17554 1125 1 2 . 1 1 116 116 HIS N N 116 119.686 119.686 119.093 0.593 17554 1126 1 2 . 1 1 116 116 HIS HA H 116 4.749 4.749 5.193 -0.444 17554 1127 1 2 . 1 1 116 116 HIS CA C 116 54.476 54.476 53.355 1.121 17554 1128 1 2 . 1 1 116 116 HIS CB C 116 27.310 27.310 29.277 -1.968 17554 1129 1 2 . 1 1 116 116 HIS H H 116 7.407 7.407 7.585 -0.178 17554 1130 1 2 . 1 1 117 117 PRO HA H 117 4.465 4.465 4.070 0.395 17554 1131 1 2 . 1 1 117 117 PRO CA C 117 64.170 64.170 65.322 -1.152 17554 1132 1 2 . 1 1 117 117 PRO CB C 117 31.939 31.939 32.178 -0.239 17554 1133 1 2 . 1 1 118 118 GLU N N 118 119.986 119.986 113.611 6.375 17554 1134 1 2 . 1 1 118 118 GLU HA H 118 4.338 4.338 4.399 -0.061 17554 1135 1 2 . 1 1 118 118 GLU CA C 118 56.440 56.440 56.690 -0.250 17554 1136 1 2 . 1 1 118 118 GLU CB C 118 29.469 29.469 30.059 -0.590 17554 1137 1 2 . 1 1 118 118 GLU H H 118 8.667 8.667 8.009 0.658 17554 1138 1 2 . 1 1 119 119 PHE N N 119 121.581 121.581 122.488 -0.907 17554 1139 1 2 . 1 1 119 119 PHE HA H 119 4.632 4.632 4.772 -0.140 17554 1140 1 2 . 1 1 119 119 PHE CA C 119 57.981 57.981 57.950 0.031 17554 1141 1 2 . 1 1 119 119 PHE CB C 119 39.805 39.805 39.410 0.395 17554 1142 1 2 . 1 1 119 119 PHE H H 119 8.054 8.054 7.977 0.077 17554 1143 1 2 . 1 1 120 120 GLU N N 120 123.882 123.882 117.750 6.132 17554 1144 1 2 . 1 1 120 120 GLU HA H 120 4.273 4.273 3.976 0.297 17554 1145 1 2 . 1 1 120 120 GLU CA C 120 56.127 56.127 57.420 -1.293 17554 1146 1 2 . 1 1 120 120 GLU CB C 120 30.789 30.789 28.919 1.870 17554 1147 1 2 . 1 1 120 120 GLU H H 120 8.264 8.264 8.452 -0.188 17554 1148 1 2 . 1 1 121 121 GLU N N 121 122.504 122.504 119.228 3.276 17554 1149 1 2 . 1 1 121 121 GLU HA H 121 4.213 4.213 4.439 -0.226 17554 1150 1 2 . 1 1 121 121 GLU CA C 121 56.634 56.634 55.385 1.249 17554 1151 1 2 . 1 1 121 121 GLU CB C 121 30.580 30.580 30.953 -0.373 17554 1152 1 2 . 1 1 121 121 GLU H H 121 8.398 8.398 8.383 0.015 17554 1153 1 2 . 1 1 122 122 ASP N N 122 121.820 121.820 119.727 2.093 17554 1154 1 2 . 1 1 122 122 ASP HA H 122 4.627 4.627 4.432 0.195 17554 1155 1 2 . 1 1 122 122 ASP CA C 122 54.443 54.443 54.719 -0.276 17554 1156 1 2 . 1 1 122 122 ASP CB C 122 41.237 41.237 41.344 -0.107 17554 1157 1 2 . 1 1 122 122 ASP H H 122 8.478 8.478 8.308 0.170 17554 1158 1 2 . 1 1 123 123 SER N N 123 116.397 116.397 118.052 -1.655 17554 1159 1 2 . 1 1 123 123 SER HA H 123 4.392 4.392 4.516 -0.124 17554 1160 1 2 . 1 1 123 123 SER CA C 123 58.605 58.605 58.388 0.217 17554 1161 1 2 . 1 1 123 123 SER CB C 123 64.064 64.064 64.088 -0.024 17554 1162 1 2 . 1 1 123 123 SER H H 123 8.236 8.236 8.367 -0.131 17554 1163 1 2 . 1 1 124 124 ASP N N 124 122.070 122.070 123.084 -1.014 17554 1164 1 2 . 1 1 124 124 ASP HA H 124 4.599 4.599 4.844 -0.245 17554 1165 1 2 . 1 1 124 124 ASP CA C 124 54.501 54.501 53.847 0.654 17554 1166 1 2 . 1 1 124 124 ASP CB C 124 41.106 41.106 42.289 -1.183 17554 1167 1 2 . 1 1 124 124 ASP H H 124 8.378 8.378 8.068 0.310 17554 1168 1 2 . 1 1 125 125 PHE N N 125 120.274 120.274 120.708 -0.434 17554 1169 1 2 . 1 1 125 125 PHE HA H 125 4.623 4.623 4.832 -0.209 17554 1170 1 2 . 1 1 125 125 PHE CA C 125 57.913 57.913 57.803 0.110 17554 1171 1 2 . 1 1 125 125 PHE CB C 125 39.601 39.601 39.370 0.231 17554 1172 1 2 . 1 1 125 125 PHE H H 125 8.049 8.049 8.576 -0.527 17554 1173 1 3 . 1 1 2 2 ILE N N 2 117.266 117.266 122.900 -5.634 17554 1174 1 3 . 1 1 2 2 ILE HA H 2 3.919 3.919 4.411 -0.492 17554 1175 1 3 . 1 1 2 2 ILE CA C 2 60.653 60.653 61.523 -0.870 17554 1176 1 3 . 1 1 2 2 ILE CB C 2 41.029 41.029 38.473 2.556 17554 1177 1 3 . 1 1 2 2 ILE H H 2 7.746 7.746 7.950 -0.204 17554 1178 1 3 . 1 1 3 3 ASP N N 3 125.895 125.895 130.207 -4.312 17554 1179 1 3 . 1 1 3 3 ASP HA H 3 4.606 4.606 4.490 0.116 17554 1180 1 3 . 1 1 3 3 ASP CA C 3 54.349 54.349 55.346 -0.997 17554 1181 1 3 . 1 1 3 3 ASP CB C 3 41.214 41.214 39.673 1.541 17554 1182 1 3 . 1 1 3 3 ASP H H 3 8.328 8.328 8.985 -0.657 17554 1183 1 3 . 1 1 4 4 GLU N N 4 128.620 128.620 123.366 5.254 17554 1184 1 3 . 1 1 4 4 GLU HA H 4 3.948 3.948 3.977 -0.029 17554 1185 1 3 . 1 1 4 4 GLU CA C 4 58.981 58.981 58.806 0.175 17554 1186 1 3 . 1 1 4 4 GLU CB C 4 29.631 29.631 29.820 -0.189 17554 1187 1 3 . 1 1 4 4 GLU H H 4 8.991 8.991 8.389 0.602 17554 1188 1 3 . 1 1 5 5 SER N N 5 115.342 115.342 116.191 -0.849 17554 1189 1 3 . 1 1 5 5 SER HA H 5 4.254 4.254 4.136 0.118 17554 1190 1 3 . 1 1 5 5 SER CA C 5 61.961 61.961 61.435 0.526 17554 1191 1 3 . 1 1 5 5 SER CB C 5 62.222 62.222 62.759 -0.537 17554 1192 1 3 . 1 1 5 5 SER H H 5 8.634 8.634 8.633 0.001 17554 1193 1 3 . 1 1 6 6 SER N N 6 119.418 119.418 118.228 1.190 17554 1194 1 3 . 1 1 6 6 SER HA H 6 4.354 4.354 4.161 0.193 17554 1195 1 3 . 1 1 6 6 SER CA C 6 61.729 61.729 62.071 -0.342 17554 1196 1 3 . 1 1 6 6 SER CB C 6 63.366 63.366 63.132 0.234 17554 1197 1 3 . 1 1 6 6 SER H H 6 7.670 7.670 7.726 -0.056 17554 1198 1 3 . 1 1 7 7 VAL N N 7 120.774 120.774 122.546 -1.772 17554 1199 1 3 . 1 1 7 7 VAL HA H 7 3.234 3.234 3.780 -0.546 17554 1200 1 3 . 1 1 7 7 VAL CA C 7 67.151 67.151 65.296 1.855 17554 1201 1 3 . 1 1 7 7 VAL CB C 7 31.792 31.792 31.855 -0.063 17554 1202 1 3 . 1 1 7 7 VAL H H 7 7.286 7.286 7.519 -0.233 17554 1203 1 3 . 1 1 8 8 MET N N 8 116.159 116.159 118.437 -2.278 17554 1204 1 3 . 1 1 8 8 MET HA H 8 4.356 4.356 4.002 0.354 17554 1205 1 3 . 1 1 8 8 MET CA C 8 57.482 57.482 59.477 -1.995 17554 1206 1 3 . 1 1 8 8 MET CB C 8 31.341 31.341 32.003 -0.662 17554 1207 1 3 . 1 1 8 8 MET H H 8 8.244 8.244 8.293 -0.049 17554 1208 1 3 . 1 1 9 9 GLN N N 9 119.708 119.708 119.411 0.297 17554 1209 1 3 . 1 1 9 9 GLN HA H 9 4.101 4.101 4.240 -0.139 17554 1210 1 3 . 1 1 9 9 GLN CA C 9 59.331 59.331 58.758 0.573 17554 1211 1 3 . 1 1 9 9 GLN CB C 9 28.880 28.880 28.416 0.464 17554 1212 1 3 . 1 1 9 9 GLN H H 9 7.855 7.855 7.744 0.111 17554 1213 1 3 . 1 1 10 10 LEU N N 10 118.986 118.986 119.372 -0.386 17554 1214 1 3 . 1 1 10 10 LEU HA H 10 4.463 4.463 3.984 0.479 17554 1215 1 3 . 1 1 10 10 LEU CA C 10 57.438 57.438 57.276 0.162 17554 1216 1 3 . 1 1 10 10 LEU CB C 10 42.943 42.943 41.401 1.542 17554 1217 1 3 . 1 1 10 10 LEU H H 10 7.432 7.432 7.693 -0.261 17554 1218 1 3 . 1 1 11 11 ALA N N 11 125.146 125.146 121.730 3.416 17554 1219 1 3 . 1 1 11 11 ALA HA H 11 4.411 4.411 4.313 0.098 17554 1220 1 3 . 1 1 11 11 ALA CA C 11 55.259 55.259 54.418 0.841 17554 1221 1 3 . 1 1 11 11 ALA CB C 11 17.734 17.734 18.619 -0.885 17554 1222 1 3 . 1 1 11 11 ALA H H 11 8.797 8.797 8.335 0.462 17554 1223 1 3 . 1 1 12 12 GLU N N 12 119.871 119.871 119.929 -0.058 17554 1224 1 3 . 1 1 12 12 GLU HA H 12 4.117 4.117 4.114 0.003 17554 1225 1 3 . 1 1 12 12 GLU CA C 12 58.473 58.473 58.933 -0.460 17554 1226 1 3 . 1 1 12 12 GLU CB C 12 29.531 29.531 29.704 -0.173 17554 1227 1 3 . 1 1 12 12 GLU H H 12 8.178 8.178 8.505 -0.327 17554 1228 1 3 . 1 1 13 13 MET N N 13 116.292 116.292 113.993 2.299 17554 1229 1 3 . 1 1 13 13 MET HA H 13 4.296 4.296 4.597 -0.301 17554 1230 1 3 . 1 1 13 13 MET CA C 13 56.797 56.797 54.424 2.373 17554 1231 1 3 . 1 1 13 13 MET CB C 13 33.221 33.221 32.803 0.417 17554 1232 1 3 . 1 1 13 13 MET H H 13 7.619 7.619 7.505 0.114 17554 1233 1 3 . 1 1 14 14 GLY N N 14 104.580 104.580 108.089 -3.509 17554 1234 1 3 . 1 1 14 14 GLY CA C 14 44.860 44.860 45.340 -0.480 17554 1235 1 3 . 1 1 14 14 GLY H H 14 7.873 7.873 7.683 0.190 17554 1236 1 3 . 1 1 15 15 PHE N N 15 118.802 118.802 114.406 4.396 17554 1237 1 3 . 1 1 15 15 PHE HA H 15 5.017 5.017 5.228 -0.211 17554 1238 1 3 . 1 1 15 15 PHE CA C 15 56.352 56.352 54.537 1.815 17554 1239 1 3 . 1 1 15 15 PHE CB C 15 39.395 39.395 39.687 -0.292 17554 1240 1 3 . 1 1 15 15 PHE H H 15 6.623 6.623 7.359 -0.736 17554 1241 1 3 . 1 1 16 16 PRO HA H 16 4.530 4.530 4.475 0.055 17554 1242 1 3 . 1 1 16 16 PRO CA C 16 63.064 63.064 62.957 0.107 17554 1243 1 3 . 1 1 16 16 PRO CB C 16 32.293 32.293 30.779 1.514 17554 1244 1 3 . 1 1 17 17 LEU N N 17 128.389 128.389 126.817 1.572 17554 1245 1 3 . 1 1 17 17 LEU HA H 17 3.945 3.945 4.276 -0.331 17554 1246 1 3 . 1 1 17 17 LEU CA C 17 59.601 59.601 52.961 6.640 17554 1247 1 3 . 1 1 17 17 LEU CB C 17 42.248 42.248 38.926 3.322 17554 1248 1 3 . 1 1 17 17 LEU H H 17 9.041 9.041 8.038 1.003 17554 1249 1 3 . 1 1 18 18 GLU N N 18 114.837 114.837 124.191 -9.354 17554 1250 1 3 . 1 1 18 18 GLU HA H 18 4.067 4.067 3.810 0.257 17554 1251 1 3 . 1 1 18 18 GLU CA C 18 59.139 59.139 59.588 -0.449 17554 1252 1 3 . 1 1 18 18 GLU CB C 18 28.874 28.874 29.695 -0.821 17554 1253 1 3 . 1 1 18 18 GLU H H 18 9.267 9.267 8.398 0.869 17554 1254 1 3 . 1 1 19 19 ALA N N 19 119.137 119.137 121.594 -2.457 17554 1255 1 3 . 1 1 19 19 ALA HA H 19 3.918 3.918 4.248 -0.330 17554 1256 1 3 . 1 1 19 19 ALA CA C 19 54.872 54.872 55.058 -0.186 17554 1257 1 3 . 1 1 19 19 ALA CB C 19 17.972 17.972 18.281 -0.309 17554 1258 1 3 . 1 1 19 19 ALA H H 19 6.838 6.838 8.525 -1.687 17554 1259 1 3 . 1 1 20 20 CYS N N 20 116.877 116.877 117.554 -0.677 17554 1260 1 3 . 1 1 20 20 CYS HA H 20 3.891 3.891 4.220 -0.329 17554 1261 1 3 . 1 1 20 20 CYS CA C 20 63.356 63.356 62.603 0.753 17554 1262 1 3 . 1 1 20 20 CYS CB C 20 28.018 28.018 27.607 0.411 17554 1263 1 3 . 1 1 20 20 CYS H H 20 7.610 7.610 8.330 -0.720 17554 1264 1 3 . 1 1 21 21 ARG N N 21 117.434 117.434 120.757 -3.323 17554 1265 1 3 . 1 1 21 21 ARG HA H 21 3.696 3.696 3.952 -0.256 17554 1266 1 3 . 1 1 21 21 ARG CA C 21 60.192 60.192 59.929 0.263 17554 1267 1 3 . 1 1 21 21 ARG CB C 21 30.175 30.175 29.918 0.257 17554 1268 1 3 . 1 1 21 21 ARG H H 21 7.965 7.965 7.757 0.208 17554 1269 1 3 . 1 1 22 22 LYS N N 22 117.667 117.667 118.585 -0.918 17554 1270 1 3 . 1 1 22 22 LYS HA H 22 3.412 3.412 4.208 -0.796 17554 1271 1 3 . 1 1 22 22 LYS CA C 22 60.181 60.181 59.093 1.088 17554 1272 1 3 . 1 1 22 22 LYS CB C 22 32.085 32.085 32.369 -0.284 17554 1273 1 3 . 1 1 22 22 LYS H H 22 7.392 7.392 8.429 -1.037 17554 1274 1 3 . 1 1 23 23 ALA N N 23 120.670 120.670 123.577 -2.907 17554 1275 1 3 . 1 1 23 23 ALA HA H 23 3.015 3.015 4.404 -1.389 17554 1276 1 3 . 1 1 23 23 ALA CA C 23 54.845 54.845 55.142 -0.297 17554 1277 1 3 . 1 1 23 23 ALA CB C 23 19.900 19.900 18.463 1.437 17554 1278 1 3 . 1 1 23 23 ALA H H 23 8.043 8.043 7.805 0.238 17554 1279 1 3 . 1 1 24 24 VAL N N 24 117.629 117.629 120.371 -2.742 17554 1280 1 3 . 1 1 24 24 VAL HA H 24 3.510 3.510 3.630 -0.120 17554 1281 1 3 . 1 1 24 24 VAL CA C 24 65.665 65.665 66.979 -1.314 17554 1282 1 3 . 1 1 24 24 VAL CB C 24 32.009 32.009 31.711 0.298 17554 1283 1 3 . 1 1 24 24 VAL H H 24 7.381 7.381 8.924 -1.543 17554 1284 1 3 . 1 1 25 25 TYR N N 25 120.392 120.392 121.157 -0.765 17554 1285 1 3 . 1 1 25 25 TYR HA H 25 3.860 3.860 4.177 -0.317 17554 1286 1 3 . 1 1 25 25 TYR CA C 25 62.098 62.098 61.118 0.980 17554 1287 1 3 . 1 1 25 25 TYR CB C 25 38.735 38.735 38.565 0.170 17554 1288 1 3 . 1 1 25 25 TYR H H 25 8.029 8.029 7.954 0.075 17554 1289 1 3 . 1 1 26 26 PHE N N 26 116.460 116.460 120.110 -3.650 17554 1290 1 3 . 1 1 26 26 PHE HA H 26 4.181 4.181 4.097 0.084 17554 1291 1 3 . 1 1 26 26 PHE CA C 26 60.345 60.345 60.628 -0.283 17554 1292 1 3 . 1 1 26 26 PHE CB C 26 37.917 37.917 39.282 -1.365 17554 1293 1 3 . 1 1 26 26 PHE H H 26 9.102 9.102 7.995 1.107 17554 1294 1 3 . 1 1 27 27 THR N N 27 106.212 106.212 110.155 -3.943 17554 1295 1 3 . 1 1 27 27 THR HA H 27 4.477 4.477 3.865 0.612 17554 1296 1 3 . 1 1 27 27 THR CA C 27 61.195 61.195 62.388 -1.192 17554 1297 1 3 . 1 1 27 27 THR CB C 27 69.061 69.061 68.913 0.148 17554 1298 1 3 . 1 1 27 27 THR H H 27 7.050 7.050 8.184 -1.133 17554 1299 1 3 . 1 1 28 28 GLY N N 28 107.275 107.275 110.112 -2.837 17554 1300 1 3 . 1 1 28 28 GLY CA C 28 46.575 46.575 44.671 1.904 17554 1301 1 3 . 1 1 28 28 GLY H H 28 7.278 7.278 7.291 -0.013 17554 1302 1 3 . 1 1 29 29 ASN N N 29 118.189 118.189 114.727 3.462 17554 1303 1 3 . 1 1 29 29 ASN HA H 29 4.342 4.342 4.316 0.026 17554 1304 1 3 . 1 1 29 29 ASN CA C 29 53.614 53.614 54.089 -0.475 17554 1305 1 3 . 1 1 29 29 ASN CB C 29 37.302 37.302 36.397 0.905 17554 1306 1 3 . 1 1 29 29 ASN H H 29 8.704 8.704 8.485 0.219 17554 1307 1 3 . 1 1 30 30 MET N N 30 119.241 119.241 117.583 1.658 17554 1308 1 3 . 1 1 30 30 MET HA H 30 4.791 4.791 4.429 0.362 17554 1309 1 3 . 1 1 30 30 MET CA C 30 53.943 53.943 55.353 -1.410 17554 1310 1 3 . 1 1 30 30 MET CB C 30 33.263 33.263 33.105 0.158 17554 1311 1 3 . 1 1 30 30 MET H H 30 8.921 8.921 7.772 1.149 17554 1312 1 3 . 1 1 31 31 GLY N N 31 109.623 109.623 104.499 5.124 17554 1313 1 3 . 1 1 31 31 GLY CA C 31 44.151 44.151 44.383 -0.232 17554 1314 1 3 . 1 1 31 31 GLY H H 31 8.349 8.349 7.716 0.633 17554 1315 1 3 . 1 1 32 32 ALA N N 32 121.096 121.096 124.704 -3.608 17554 1316 1 3 . 1 1 32 32 ALA HA H 32 3.980 3.980 4.111 -0.131 17554 1317 1 3 . 1 1 32 32 ALA CA C 32 55.192 55.192 54.630 0.562 17554 1318 1 3 . 1 1 32 32 ALA CB C 32 19.058 19.058 18.961 0.097 17554 1319 1 3 . 1 1 32 32 ALA H H 32 8.899 8.899 8.699 0.200 17554 1320 1 3 . 1 1 33 33 GLU N N 33 119.428 119.428 118.723 0.705 17554 1321 1 3 . 1 1 33 33 GLU HA H 33 4.095 4.095 4.095 0.000 17554 1322 1 3 . 1 1 33 33 GLU CA C 33 60.864 60.864 59.412 1.452 17554 1323 1 3 . 1 1 33 33 GLU CB C 33 28.661 28.661 28.616 0.045 17554 1324 1 3 . 1 1 33 33 GLU H H 33 8.705 8.705 8.809 -0.104 17554 1325 1 3 . 1 1 34 34 VAL N N 34 117.216 117.216 119.461 -2.245 17554 1326 1 3 . 1 1 34 34 VAL HA H 34 4.062 4.062 3.842 0.220 17554 1327 1 3 . 1 1 34 34 VAL CA C 34 65.178 65.178 66.226 -1.048 17554 1328 1 3 . 1 1 34 34 VAL CB C 34 31.684 31.684 31.382 0.302 17554 1329 1 3 . 1 1 34 34 VAL H H 34 8.178 8.178 7.706 0.472 17554 1330 1 3 . 1 1 35 35 ALA N N 35 123.635 123.635 122.383 1.252 17554 1331 1 3 . 1 1 35 35 ALA HA H 35 4.289 4.289 4.319 -0.030 17554 1332 1 3 . 1 1 35 35 ALA CA C 35 54.787 54.787 54.770 0.017 17554 1333 1 3 . 1 1 35 35 ALA CB C 35 19.794 19.794 18.287 1.507 17554 1334 1 3 . 1 1 35 35 ALA H H 35 7.178 7.178 7.778 -0.600 17554 1335 1 3 . 1 1 36 36 PHE N N 36 120.976 120.976 120.461 0.515 17554 1336 1 3 . 1 1 36 36 PHE HA H 36 4.079 4.079 4.055 0.024 17554 1337 1 3 . 1 1 36 36 PHE CA C 36 61.339 61.339 61.609 -0.270 17554 1338 1 3 . 1 1 36 36 PHE CB C 36 38.952 38.952 39.224 -0.272 17554 1339 1 3 . 1 1 36 36 PHE H H 36 8.832 8.832 8.829 0.003 17554 1340 1 3 . 1 1 37 37 ASN N N 37 114.823 114.823 117.635 -2.812 17554 1341 1 3 . 1 1 37 37 ASN HA H 37 4.318 4.318 4.271 0.047 17554 1342 1 3 . 1 1 37 37 ASN CA C 37 56.379 56.379 56.018 0.361 17554 1343 1 3 . 1 1 37 37 ASN CB C 37 38.288 38.288 38.389 -0.101 17554 1344 1 3 . 1 1 37 37 ASN H H 37 7.591 7.591 8.225 -0.634 17554 1345 1 3 . 1 1 38 38 TRP N N 38 119.984 119.984 121.106 -1.122 17554 1346 1 3 . 1 1 38 38 TRP HA H 38 4.191 4.191 4.385 -0.194 17554 1347 1 3 . 1 1 38 38 TRP CA C 38 62.279 62.279 59.929 2.350 17554 1348 1 3 . 1 1 38 38 TRP CB C 38 30.545 30.545 29.774 0.771 17554 1349 1 3 . 1 1 38 38 TRP H H 38 7.630 7.630 8.006 -0.376 17554 1350 1 3 . 1 1 39 39 ILE N N 39 121.183 121.183 120.839 0.344 17554 1351 1 3 . 1 1 39 39 ILE HA H 39 3.647 3.647 3.713 -0.066 17554 1352 1 3 . 1 1 39 39 ILE CA C 39 65.651 65.651 62.977 2.674 17554 1353 1 3 . 1 1 39 39 ILE CB C 39 36.375 36.375 38.005 -1.630 17554 1354 1 3 . 1 1 39 39 ILE H H 39 8.017 8.017 7.988 0.029 17554 1355 1 3 . 1 1 40 40 ILE N N 40 115.084 115.084 117.556 -2.472 17554 1356 1 3 . 1 1 40 40 ILE HA H 40 3.665 3.665 3.755 -0.090 17554 1357 1 3 . 1 1 40 40 ILE CA C 40 63.224 63.224 63.984 -0.760 17554 1358 1 3 . 1 1 40 40 ILE CB C 40 36.681 36.681 37.093 -0.412 17554 1359 1 3 . 1 1 40 40 ILE H H 40 7.474 7.474 7.503 -0.029 17554 1360 1 3 . 1 1 41 41 VAL N N 41 116.045 116.045 119.365 -3.320 17554 1361 1 3 . 1 1 41 41 VAL HA H 41 3.661 3.661 3.544 0.117 17554 1362 1 3 . 1 1 41 41 VAL CA C 41 64.452 64.452 65.723 -1.271 17554 1363 1 3 . 1 1 41 41 VAL CB C 41 32.156 32.156 31.759 0.397 17554 1364 1 3 . 1 1 41 41 VAL H H 41 7.054 7.054 7.333 -0.279 17554 1365 1 3 . 1 1 42 42 HIS N N 42 115.595 115.595 117.862 -2.267 17554 1366 1 3 . 1 1 42 42 HIS HA H 42 4.098 4.098 4.340 -0.242 17554 1367 1 3 . 1 1 42 42 HIS CA C 42 57.365 57.365 56.931 0.434 17554 1368 1 3 . 1 1 42 42 HIS CB C 42 28.251 28.251 29.103 -0.852 17554 1369 1 3 . 1 1 42 42 HIS H H 42 7.353 7.353 7.932 -0.579 17554 1370 1 3 . 1 1 43 43 MET N N 43 117.495 117.495 117.876 -0.381 17554 1371 1 3 . 1 1 43 43 MET HA H 43 2.064 2.064 4.336 -2.272 17554 1372 1 3 . 1 1 43 43 MET CA C 43 57.980 57.980 58.211 -0.231 17554 1373 1 3 . 1 1 43 43 MET CB C 43 32.258 32.258 31.660 0.598 17554 1374 1 3 . 1 1 43 43 MET H H 43 7.373 7.373 7.691 -0.318 17554 1375 1 3 . 1 1 44 44 GLU N N 44 116.844 116.844 117.080 -0.236 17554 1376 1 3 . 1 1 44 44 GLU HA H 44 4.346 4.346 3.985 0.361 17554 1377 1 3 . 1 1 44 44 GLU CA C 44 55.838 55.838 58.004 -2.166 17554 1378 1 3 . 1 1 44 44 GLU CB C 44 29.351 29.351 29.220 0.131 17554 1379 1 3 . 1 1 44 44 GLU H H 44 8.102 8.102 7.776 0.326 17554 1380 1 3 . 1 1 45 45 GLU N N 45 121.925 121.925 119.815 2.110 17554 1381 1 3 . 1 1 45 45 GLU HA H 45 4.426 4.426 4.818 -0.392 17554 1382 1 3 . 1 1 45 45 GLU CA C 45 55.141 55.141 52.978 2.163 17554 1383 1 3 . 1 1 45 45 GLU CB C 45 28.513 28.513 29.264 -0.751 17554 1384 1 3 . 1 1 45 45 GLU H H 45 7.853 7.853 7.620 0.233 17554 1385 1 3 . 1 1 46 46 PRO HA H 46 4.440 4.440 4.263 0.177 17554 1386 1 3 . 1 1 46 46 PRO CA C 46 65.070 65.070 65.885 -0.815 17554 1387 1 3 . 1 1 46 46 PRO CB C 46 31.850 31.850 31.912 -0.062 17554 1388 1 3 . 1 1 47 47 ASP N N 47 115.051 115.051 115.271 -0.220 17554 1389 1 3 . 1 1 47 47 ASP HA H 47 4.686 4.686 4.620 0.066 17554 1390 1 3 . 1 1 47 47 ASP CA C 47 52.841 52.841 53.186 -0.345 17554 1391 1 3 . 1 1 47 47 ASP CB C 47 39.711 39.711 40.090 -0.379 17554 1392 1 3 . 1 1 47 47 ASP H H 47 8.437 8.437 8.456 -0.019 17554 1393 1 3 . 1 1 48 48 PHE N N 48 122.693 122.693 120.315 2.378 17554 1394 1 3 . 1 1 48 48 PHE HA H 48 4.522 4.522 4.389 0.133 17554 1395 1 3 . 1 1 48 48 PHE CA C 48 60.887 60.887 58.802 2.085 17554 1396 1 3 . 1 1 48 48 PHE CB C 48 40.495 40.495 40.120 0.375 17554 1397 1 3 . 1 1 48 48 PHE H H 48 7.695 7.695 7.639 0.056 17554 1398 1 3 . 1 1 49 49 ALA N N 49 117.185 117.185 120.578 -3.393 17554 1399 1 3 . 1 1 49 49 ALA HA H 49 4.099 4.099 4.629 -0.530 17554 1400 1 3 . 1 1 49 49 ALA CA C 49 51.211 51.211 50.428 0.783 17554 1401 1 3 . 1 1 49 49 ALA CB C 49 19.067 19.067 19.401 -0.334 17554 1402 1 3 . 1 1 49 49 ALA H H 49 8.643 8.643 7.347 1.296 17554 1403 1 3 . 1 1 50 50 GLU N N 50 119.707 119.707 125.001 -5.294 17554 1404 1 3 . 1 1 50 50 GLU HA H 50 4.412 4.412 4.179 0.233 17554 1405 1 3 . 1 1 50 50 GLU CA C 50 54.755 54.755 55.982 -1.227 17554 1406 1 3 . 1 1 50 50 GLU CB C 50 29.274 29.274 28.916 0.358 17554 1407 1 3 . 1 1 50 50 GLU H H 50 7.412 7.412 8.689 -1.277 17554 1408 1 3 . 1 1 51 51 PRO HA H 51 4.315 4.315 4.597 -0.282 17554 1409 1 3 . 1 1 51 51 PRO CA C 51 62.863 62.863 63.051 -0.188 17554 1410 1 3 . 1 1 51 51 PRO CB C 51 32.408 32.408 30.872 1.536 17554 1411 1 3 . 1 1 52 52 LEU N N 52 123.507 123.507 120.141 3.366 17554 1412 1 3 . 1 1 52 52 LEU HA H 52 4.210 4.210 4.461 -0.251 17554 1413 1 3 . 1 1 52 52 LEU CA C 52 55.217 55.217 54.644 0.573 17554 1414 1 3 . 1 1 52 52 LEU CB C 52 42.918 42.918 42.050 0.868 17554 1415 1 3 . 1 1 52 52 LEU H H 52 8.475 8.475 7.997 0.478 17554 1416 1 3 . 1 1 53 53 THR N N 53 119.005 119.005 114.502 4.503 17554 1417 1 3 . 1 1 53 53 THR HA H 53 4.292 4.292 4.466 -0.174 17554 1418 1 3 . 1 1 53 53 THR CA C 53 61.478 61.478 61.611 -0.133 17554 1419 1 3 . 1 1 53 53 THR CB C 53 69.752 69.752 70.668 -0.916 17554 1420 1 3 . 1 1 53 53 THR H H 53 8.371 8.371 7.526 0.845 17554 1421 1 3 . 1 1 54 54 MET N N 54 124.439 124.439 126.532 -2.093 17554 1422 1 3 . 1 1 54 54 MET HA H 54 4.651 4.651 4.882 -0.231 17554 1423 1 3 . 1 1 54 54 MET CA C 54 53.235 53.235 52.807 0.428 17554 1424 1 3 . 1 1 54 54 MET CB C 54 32.605 32.605 33.553 -0.948 17554 1425 1 3 . 1 1 54 54 MET H H 54 8.264 8.264 8.405 -0.141 17554 1426 1 3 . 1 1 55 55 PRO HA H 55 4.368 4.368 4.621 -0.253 17554 1427 1 3 . 1 1 55 55 PRO CA C 55 63.668 63.668 62.594 1.074 17554 1428 1 3 . 1 1 55 55 PRO CB C 55 32.038 32.038 32.274 -0.236 17554 1429 1 3 . 1 1 56 56 GLY N N 56 109.663 109.663 112.628 -2.965 17554 1430 1 3 . 1 1 56 56 GLY CA C 56 45.314 45.314 44.691 0.622 17554 1431 1 3 . 1 1 56 56 GLY H H 56 8.461 8.461 8.629 -0.168 17554 1432 1 3 . 1 1 57 57 TYR N N 57 120.317 120.317 121.268 -0.951 17554 1433 1 3 . 1 1 57 57 TYR HA H 57 4.528 4.528 4.549 -0.021 17554 1434 1 3 . 1 1 57 57 TYR CA C 57 58.132 58.132 57.591 0.541 17554 1435 1 3 . 1 1 57 57 TYR CB C 57 38.958 38.958 38.748 0.210 17554 1436 1 3 . 1 1 57 57 TYR H H 57 8.033 8.033 7.730 0.303 17554 1437 1 3 . 1 1 58 58 GLY N N 58 111.694 111.694 113.190 -1.496 17554 1438 1 3 . 1 1 58 58 GLY CA C 58 45.489 45.489 44.193 1.296 17554 1439 1 3 . 1 1 58 58 GLY H H 58 8.423 8.423 8.315 0.108 17554 1440 1 3 . 1 1 59 59 GLY N N 59 108.403 108.403 108.986 -0.583 17554 1441 1 3 . 1 1 59 59 GLY CA C 59 45.210 45.210 44.908 0.302 17554 1442 1 3 . 1 1 59 59 GLY H H 59 7.871 7.871 8.261 -0.390 17554 1443 1 3 . 1 1 60 60 ALA N N 60 123.835 123.835 123.875 -0.040 17554 1444 1 3 . 1 1 60 60 ALA HA H 60 4.294 4.294 3.815 0.479 17554 1445 1 3 . 1 1 60 60 ALA CA C 60 52.710 52.710 54.023 -1.313 17554 1446 1 3 . 1 1 60 60 ALA CB C 60 19.353 19.353 17.427 1.926 17554 1447 1 3 . 1 1 60 60 ALA H H 60 8.207 8.207 8.436 -0.229 17554 1448 1 3 . 1 1 61 61 ALA N N 61 123.032 123.032 121.781 1.251 17554 1449 1 3 . 1 1 61 61 ALA HA H 61 4.316 4.316 4.495 -0.179 17554 1450 1 3 . 1 1 61 61 ALA CA C 61 52.751 52.751 52.277 0.474 17554 1451 1 3 . 1 1 61 61 ALA CB C 61 19.096 19.096 20.415 -1.319 17554 1452 1 3 . 1 1 61 61 ALA H H 61 8.331 8.331 8.228 0.103 17554 1453 1 3 . 1 1 62 62 SER N N 62 114.625 114.625 114.071 0.554 17554 1454 1 3 . 1 1 62 62 SER HA H 62 4.406 4.406 4.031 0.375 17554 1455 1 3 . 1 1 62 62 SER CA C 62 58.283 58.283 58.112 0.171 17554 1456 1 3 . 1 1 62 62 SER CB C 62 63.858 63.858 62.172 1.686 17554 1457 1 3 . 1 1 62 62 SER H H 62 8.158 8.158 8.379 -0.221 17554 1458 1 3 . 1 1 63 63 ALA N N 63 125.890 125.890 123.520 2.370 17554 1459 1 3 . 1 1 63 63 ALA HA H 63 4.314 4.314 5.262 -0.948 17554 1460 1 3 . 1 1 63 63 ALA CA C 63 52.926 52.926 50.989 1.937 17554 1461 1 3 . 1 1 63 63 ALA CB C 63 19.216 19.216 18.867 0.349 17554 1462 1 3 . 1 1 63 63 ALA H H 63 8.294 8.294 8.154 0.140 17554 1463 1 3 . 1 1 64 64 GLY N N 64 107.980 107.980 109.427 -1.447 17554 1464 1 3 . 1 1 64 64 GLY CA C 64 45.324 45.324 45.703 -0.379 17554 1465 1 3 . 1 1 64 64 GLY H H 64 8.321 8.321 8.596 -0.275 17554 1466 1 3 . 1 1 65 65 ALA N N 65 123.524 123.524 121.049 2.475 17554 1467 1 3 . 1 1 65 65 ALA HA H 65 4.330 4.330 4.403 -0.073 17554 1468 1 3 . 1 1 65 65 ALA CA C 65 52.589 52.589 52.389 0.200 17554 1469 1 3 . 1 1 65 65 ALA CB C 65 19.438 19.438 19.433 0.005 17554 1470 1 3 . 1 1 65 65 ALA H H 65 8.088 8.088 8.083 0.005 17554 1471 1 3 . 1 1 66 66 SER N N 66 115.072 115.072 115.104 -0.032 17554 1472 1 3 . 1 1 66 66 SER HA H 66 4.442 4.442 4.797 -0.355 17554 1473 1 3 . 1 1 66 66 SER CA C 66 58.334 58.334 57.350 0.984 17554 1474 1 3 . 1 1 66 66 SER CB C 66 63.804 63.804 65.010 -1.206 17554 1475 1 3 . 1 1 66 66 SER H H 66 8.297 8.297 8.203 0.094 17554 1476 1 3 . 1 1 67 67 VAL N N 67 121.228 121.228 118.457 2.771 17554 1477 1 3 . 1 1 67 67 VAL HA H 67 4.075 4.075 4.280 -0.205 17554 1478 1 3 . 1 1 67 67 VAL CA C 67 62.417 62.417 61.176 1.241 17554 1479 1 3 . 1 1 67 67 VAL CB C 67 32.611 32.611 32.323 0.288 17554 1480 1 3 . 1 1 67 67 VAL H H 67 8.007 8.007 8.383 -0.376 17554 1481 1 3 . 1 1 68 68 PHE N N 68 123.068 123.068 126.809 -3.741 17554 1482 1 3 . 1 1 68 68 PHE HA H 68 4.618 4.618 4.016 0.602 17554 1483 1 3 . 1 1 68 68 PHE CA C 68 57.981 57.981 59.031 -1.050 17554 1484 1 3 . 1 1 68 68 PHE CB C 68 39.618 39.618 37.891 1.727 17554 1485 1 3 . 1 1 68 68 PHE H H 68 8.255 8.255 8.926 -0.671 17554 1486 1 3 . 1 1 69 69 GLY N N 69 110.709 110.709 108.034 2.675 17554 1487 1 3 . 1 1 69 69 GLY CA C 69 45.339 45.339 44.683 0.656 17554 1488 1 3 . 1 1 69 69 GLY H H 69 8.234 8.234 7.601 0.633 17554 1489 1 3 . 1 1 70 70 ALA N N 70 123.857 123.857 123.235 0.622 17554 1490 1 3 . 1 1 70 70 ALA HA H 70 4.348 4.348 4.643 -0.295 17554 1491 1 3 . 1 1 70 70 ALA CA C 70 52.626 52.626 51.256 1.370 17554 1492 1 3 . 1 1 70 70 ALA CB C 70 19.386 19.386 19.256 0.130 17554 1493 1 3 . 1 1 70 70 ALA H H 70 8.140 8.140 8.287 -0.147 17554 1494 1 3 . 1 1 71 71 SER N N 71 115.019 115.019 116.109 -1.090 17554 1495 1 3 . 1 1 71 71 SER HA H 71 4.441 4.441 4.314 0.127 17554 1496 1 3 . 1 1 71 71 SER CA C 71 58.592 58.592 59.695 -1.103 17554 1497 1 3 . 1 1 71 71 SER CB C 71 63.975 63.975 62.889 1.085 17554 1498 1 3 . 1 1 71 71 SER H H 71 8.379 8.379 8.220 0.159 17554 1499 1 3 . 1 1 72 72 GLY N N 72 110.640 110.640 114.725 -4.085 17554 1500 1 3 . 1 1 72 72 GLY CA C 72 45.546 45.546 45.091 0.455 17554 1501 1 3 . 1 1 72 72 GLY H H 72 8.395 8.395 8.855 -0.460 17554 1502 1 3 . 1 1 73 73 LEU N N 73 121.191 121.191 121.798 -0.607 17554 1503 1 3 . 1 1 73 73 LEU HA H 73 4.319 4.319 4.533 -0.214 17554 1504 1 3 . 1 1 73 73 LEU CA C 73 55.292 55.292 54.556 0.736 17554 1505 1 3 . 1 1 73 73 LEU CB C 73 42.355 42.355 39.516 2.839 17554 1506 1 3 . 1 1 73 73 LEU H H 73 8.088 8.088 7.995 0.093 17554 1507 1 3 . 1 1 74 74 ASP N N 74 120.099 120.099 120.147 -0.048 17554 1508 1 3 . 1 1 74 74 ASP HA H 74 4.549 4.549 4.647 -0.098 17554 1509 1 3 . 1 1 74 74 ASP CA C 74 54.451 54.451 54.108 0.342 17554 1510 1 3 . 1 1 74 74 ASP CB C 74 41.071 41.071 43.600 -2.529 17554 1511 1 3 . 1 1 74 74 ASP H H 74 8.312 8.312 7.846 0.466 17554 1512 1 3 . 1 1 75 75 ASN N N 75 118.544 118.544 119.330 -0.786 17554 1513 1 3 . 1 1 75 75 ASN HA H 75 4.627 4.627 4.683 -0.056 17554 1514 1 3 . 1 1 75 75 ASN CA C 75 53.043 53.043 52.827 0.216 17554 1515 1 3 . 1 1 75 75 ASN CB C 75 38.723 38.723 38.803 -0.080 17554 1516 1 3 . 1 1 75 75 ASN H H 75 8.254 8.254 8.432 -0.178 17554 1517 1 3 . 1 1 76 76 GLN N N 76 121.475 121.475 121.838 -0.363 17554 1518 1 3 . 1 1 76 76 GLN HA H 76 4.527 4.527 4.324 0.203 17554 1519 1 3 . 1 1 76 76 GLN CA C 76 53.613 53.613 54.669 -1.056 17554 1520 1 3 . 1 1 76 76 GLN CB C 76 28.697 28.697 29.543 -0.846 17554 1521 1 3 . 1 1 76 76 GLN H H 76 8.228 8.228 7.912 0.316 17554 1522 1 3 . 1 1 77 77 PRO HA H 77 4.566 4.566 4.401 0.165 17554 1523 1 3 . 1 1 77 77 PRO CA C 77 61.219 61.219 62.174 -0.955 17554 1524 1 3 . 1 1 77 77 PRO CB C 77 31.453 31.453 31.084 0.369 17554 1525 1 3 . 1 1 78 78 PRO HA H 78 4.449 4.449 4.435 0.014 17554 1526 1 3 . 1 1 78 78 PRO CA C 78 62.743 62.743 63.033 -0.290 17554 1527 1 3 . 1 1 78 78 PRO CB C 78 32.168 32.168 31.945 0.223 17554 1528 1 3 . 1 1 79 79 GLU N N 79 127.716 127.716 127.103 0.613 17554 1529 1 3 . 1 1 79 79 GLU HA H 79 3.843 3.843 3.816 0.027 17554 1530 1 3 . 1 1 79 79 GLU CA C 79 59.074 59.074 59.947 -0.873 17554 1531 1 3 . 1 1 79 79 GLU CB C 79 28.921 28.921 28.838 0.083 17554 1532 1 3 . 1 1 79 79 GLU H H 79 9.073 9.073 8.934 0.139 17554 1533 1 3 . 1 1 80 80 GLU N N 80 117.579 117.579 120.197 -2.618 17554 1534 1 3 . 1 1 80 80 GLU HA H 80 4.120 4.120 4.086 0.034 17554 1535 1 3 . 1 1 80 80 GLU CA C 80 59.468 59.468 59.216 0.252 17554 1536 1 3 . 1 1 80 80 GLU CB C 80 28.680 28.680 29.114 -0.434 17554 1537 1 3 . 1 1 80 80 GLU H H 80 9.604 9.604 8.797 0.807 17554 1538 1 3 . 1 1 81 81 ILE N N 81 117.488 117.488 119.589 -2.101 17554 1539 1 3 . 1 1 81 81 ILE HA H 81 4.068 4.068 3.870 0.198 17554 1540 1 3 . 1 1 81 81 ILE CA C 81 63.261 63.261 64.303 -1.042 17554 1541 1 3 . 1 1 81 81 ILE CB C 81 37.248 37.248 38.400 -1.152 17554 1542 1 3 . 1 1 81 81 ILE H H 81 7.172 7.172 7.566 -0.394 17554 1543 1 3 . 1 1 82 82 VAL N N 82 121.739 121.739 118.712 3.027 17554 1544 1 3 . 1 1 82 82 VAL HA H 82 3.143 3.143 3.639 -0.496 17554 1545 1 3 . 1 1 82 82 VAL CA C 82 67.507 67.507 66.588 0.920 17554 1546 1 3 . 1 1 82 82 VAL CB C 82 31.816 31.816 31.243 0.573 17554 1547 1 3 . 1 1 82 82 VAL H H 82 7.591 7.591 8.635 -1.044 17554 1548 1 3 . 1 1 83 83 ALA N N 83 118.311 118.311 123.021 -4.710 17554 1549 1 3 . 1 1 83 83 ALA HA H 83 4.341 4.341 4.007 0.334 17554 1550 1 3 . 1 1 83 83 ALA CA C 83 54.186 54.186 55.163 -0.977 17554 1551 1 3 . 1 1 83 83 ALA CB C 83 18.026 18.026 18.218 -0.192 17554 1552 1 3 . 1 1 83 83 ALA H H 83 8.260 8.260 7.934 0.326 17554 1553 1 3 . 1 1 84 84 ILE N N 84 119.780 119.780 119.297 0.483 17554 1554 1 3 . 1 1 84 84 ILE HA H 84 3.737 3.737 3.597 0.140 17554 1555 1 3 . 1 1 84 84 ILE CA C 84 65.095 65.095 65.410 -0.315 17554 1556 1 3 . 1 1 84 84 ILE CB C 84 38.070 38.070 38.020 0.050 17554 1557 1 3 . 1 1 84 84 ILE H H 84 7.298 7.298 7.623 -0.325 17554 1558 1 3 . 1 1 85 85 ILE N N 85 119.424 119.424 119.074 0.350 17554 1559 1 3 . 1 1 85 85 ILE HA H 85 3.884 3.884 3.756 0.128 17554 1560 1 3 . 1 1 85 85 ILE CA C 85 66.207 66.207 65.861 0.346 17554 1561 1 3 . 1 1 85 85 ILE CB C 85 38.043 38.043 37.986 0.056 17554 1562 1 3 . 1 1 85 85 ILE H H 85 7.426 7.426 8.509 -1.083 17554 1563 1 3 . 1 1 86 86 THR N N 86 112.538 112.538 114.532 -1.994 17554 1564 1 3 . 1 1 86 86 THR HA H 86 4.669 4.669 4.240 0.429 17554 1565 1 3 . 1 1 86 86 THR CA C 86 64.995 64.995 65.338 -0.342 17554 1566 1 3 . 1 1 86 86 THR CB C 86 68.293 68.293 68.443 -0.150 17554 1567 1 3 . 1 1 86 86 THR H H 86 9.097 9.097 8.233 0.864 17554 1568 1 3 . 1 1 87 87 SER N N 87 120.681 120.681 115.696 4.985 17554 1569 1 3 . 1 1 87 87 SER HA H 87 4.397 4.397 4.310 0.087 17554 1570 1 3 . 1 1 87 87 SER CA C 87 61.715 61.715 60.392 1.323 17554 1571 1 3 . 1 1 87 87 SER CB C 87 62.804 62.804 63.170 -0.366 17554 1572 1 3 . 1 1 87 87 SER H H 87 8.250 8.250 7.975 0.275 17554 1573 1 3 . 1 1 88 88 MET N N 88 119.753 119.753 118.522 1.231 17554 1574 1 3 . 1 1 88 88 MET HA H 88 4.399 4.399 4.351 0.048 17554 1575 1 3 . 1 1 88 88 MET CA C 88 56.596 56.596 55.806 0.790 17554 1576 1 3 . 1 1 88 88 MET CB C 88 33.330 33.330 32.949 0.381 17554 1577 1 3 . 1 1 88 88 MET H H 88 7.550 7.550 7.414 0.136 17554 1578 1 3 . 1 1 89 89 GLY N N 89 105.282 105.282 104.350 0.932 17554 1579 1 3 . 1 1 89 89 GLY CA C 89 44.767 44.767 44.500 0.267 17554 1580 1 3 . 1 1 89 89 GLY H H 89 7.866 7.866 7.333 0.533 17554 1581 1 3 . 1 1 90 90 PHE N N 90 118.182 118.182 119.135 -0.953 17554 1582 1 3 . 1 1 90 90 PHE HA H 90 4.721 4.721 4.944 -0.223 17554 1583 1 3 . 1 1 90 90 PHE CA C 90 57.670 57.670 56.145 1.525 17554 1584 1 3 . 1 1 90 90 PHE CB C 90 39.706 39.706 41.438 -1.732 17554 1585 1 3 . 1 1 90 90 PHE H H 90 6.675 6.675 7.538 -0.863 17554 1586 1 3 . 1 1 91 91 GLN N N 91 118.581 118.581 118.416 0.165 17554 1587 1 3 . 1 1 91 91 GLN HA H 91 4.356 4.356 4.712 -0.356 17554 1588 1 3 . 1 1 91 91 GLN CA C 91 55.485 55.485 54.218 1.267 17554 1589 1 3 . 1 1 91 91 GLN CB C 91 29.969 29.969 31.757 -1.788 17554 1590 1 3 . 1 1 91 91 GLN H H 91 8.854 8.854 8.464 0.390 17554 1591 1 3 . 1 1 92 92 ARG N N 92 124.037 124.037 128.172 -4.135 17554 1592 1 3 . 1 1 92 92 ARG HA H 92 3.624 3.624 4.080 -0.456 17554 1593 1 3 . 1 1 92 92 ARG CA C 92 60.847 60.847 60.654 0.193 17554 1594 1 3 . 1 1 92 92 ARG CB C 92 29.579 29.579 29.894 -0.315 17554 1595 1 3 . 1 1 92 92 ARG H H 92 9.124 9.124 8.925 0.199 17554 1596 1 3 . 1 1 93 93 ASN N N 93 115.060 115.060 117.482 -2.422 17554 1597 1 3 . 1 1 93 93 ASN HA H 93 4.395 4.395 4.379 0.016 17554 1598 1 3 . 1 1 93 93 ASN CA C 93 56.562 56.562 56.610 -0.048 17554 1599 1 3 . 1 1 93 93 ASN CB C 93 37.059 37.059 37.869 -0.810 17554 1600 1 3 . 1 1 93 93 ASN H H 93 9.117 9.117 8.726 0.391 17554 1601 1 3 . 1 1 94 94 GLN N N 94 119.980 119.980 119.387 0.593 17554 1602 1 3 . 1 1 94 94 GLN HA H 94 3.933 3.933 4.099 -0.166 17554 1603 1 3 . 1 1 94 94 GLN CA C 94 58.775 58.775 59.056 -0.281 17554 1604 1 3 . 1 1 94 94 GLN CB C 94 29.075 29.075 28.492 0.583 17554 1605 1 3 . 1 1 94 94 GLN H H 94 7.033 7.033 8.436 -1.403 17554 1606 1 3 . 1 1 95 95 ALA N N 95 120.823 120.823 123.031 -2.208 17554 1607 1 3 . 1 1 95 95 ALA HA H 95 3.761 3.761 3.998 -0.237 17554 1608 1 3 . 1 1 95 95 ALA CA C 95 55.680 55.680 55.171 0.509 17554 1609 1 3 . 1 1 95 95 ALA CB C 95 19.601 19.601 18.499 1.102 17554 1610 1 3 . 1 1 95 95 ALA H H 95 7.996 7.996 8.442 -0.446 17554 1611 1 3 . 1 1 96 96 ILE N N 96 116.250 116.250 120.155 -3.905 17554 1612 1 3 . 1 1 96 96 ILE HA H 96 3.420 3.420 3.489 -0.069 17554 1613 1 3 . 1 1 96 96 ILE CA C 96 65.611 65.611 66.108 -0.497 17554 1614 1 3 . 1 1 96 96 ILE CB C 96 37.869 37.869 37.884 -0.015 17554 1615 1 3 . 1 1 96 96 ILE H H 96 8.408 8.408 8.386 0.022 17554 1616 1 3 . 1 1 97 97 GLN N N 97 118.601 118.601 119.161 -0.560 17554 1617 1 3 . 1 1 97 97 GLN HA H 97 3.734 3.734 3.702 0.032 17554 1618 1 3 . 1 1 97 97 GLN CA C 97 59.011 59.011 59.240 -0.229 17554 1619 1 3 . 1 1 97 97 GLN CB C 97 28.425 28.425 28.527 -0.102 17554 1620 1 3 . 1 1 97 97 GLN H H 97 7.767 7.767 8.140 -0.373 17554 1621 1 3 . 1 1 98 98 ALA N N 98 121.375 121.375 122.618 -1.243 17554 1622 1 3 . 1 1 98 98 ALA HA H 98 2.748 2.748 3.079 -0.331 17554 1623 1 3 . 1 1 98 98 ALA CA C 98 54.408 54.408 54.847 -0.439 17554 1624 1 3 . 1 1 98 98 ALA CB C 98 20.084 20.084 18.347 1.737 17554 1625 1 3 . 1 1 98 98 ALA H H 98 7.905 7.905 7.852 0.053 17554 1626 1 3 . 1 1 99 99 LEU N N 99 118.409 118.409 118.980 -0.571 17554 1627 1 3 . 1 1 99 99 LEU HA H 99 3.717 3.717 3.984 -0.267 17554 1628 1 3 . 1 1 99 99 LEU CA C 99 57.529 57.529 57.258 0.271 17554 1629 1 3 . 1 1 99 99 LEU CB C 99 40.714 40.714 41.358 -0.644 17554 1630 1 3 . 1 1 99 99 LEU H H 99 7.938 7.938 8.276 -0.338 17554 1631 1 3 . 1 1 100 100 ARG N N 100 119.771 119.771 119.001 0.770 17554 1632 1 3 . 1 1 100 100 ARG HA H 100 4.107 4.107 3.769 0.338 17554 1633 1 3 . 1 1 100 100 ARG CA C 100 59.182 59.182 59.456 -0.274 17554 1634 1 3 . 1 1 100 100 ARG CB C 100 30.021 30.021 29.797 0.225 17554 1635 1 3 . 1 1 100 100 ARG H H 100 8.248 8.248 8.291 -0.043 17554 1636 1 3 . 1 1 101 101 ALA N N 101 119.288 119.288 119.421 -0.133 17554 1637 1 3 . 1 1 101 101 ALA HA H 101 3.983 3.983 4.097 -0.114 17554 1638 1 3 . 1 1 101 101 ALA CA C 101 53.663 53.663 54.259 -0.596 17554 1639 1 3 . 1 1 101 101 ALA CB C 101 17.946 17.946 18.142 -0.196 17554 1640 1 3 . 1 1 101 101 ALA H H 101 7.324 7.324 7.195 0.129 17554 1641 1 3 . 1 1 102 102 THR N N 102 105.233 105.233 108.743 -3.510 17554 1642 1 3 . 1 1 102 102 THR HA H 102 4.429 4.429 4.204 0.225 17554 1643 1 3 . 1 1 102 102 THR CA C 102 60.535 60.535 62.872 -2.337 17554 1644 1 3 . 1 1 102 102 THR CB C 102 71.036 71.036 69.420 1.616 17554 1645 1 3 . 1 1 102 102 THR H H 102 7.113 7.113 7.928 -0.815 17554 1646 1 3 . 1 1 103 103 ASN N N 103 119.293 119.293 118.028 1.265 17554 1647 1 3 . 1 1 103 103 ASN HA H 103 4.343 4.343 4.339 0.004 17554 1648 1 3 . 1 1 103 103 ASN CA C 103 54.462 54.462 54.383 0.079 17554 1649 1 3 . 1 1 103 103 ASN CB C 103 36.960 36.960 36.804 0.156 17554 1650 1 3 . 1 1 103 103 ASN H H 103 7.701 7.701 7.876 -0.175 17554 1651 1 3 . 1 1 104 104 ASN N N 104 108.274 108.274 110.463 -2.189 17554 1652 1 3 . 1 1 104 104 ASN HA H 104 3.956 3.956 4.187 -0.231 17554 1653 1 3 . 1 1 104 104 ASN CA C 104 54.757 54.757 54.671 0.086 17554 1654 1 3 . 1 1 104 104 ASN CB C 104 36.151 36.151 36.981 -0.830 17554 1655 1 3 . 1 1 104 104 ASN H H 104 9.048 9.048 8.829 0.219 17554 1656 1 3 . 1 1 105 105 ASN N N 105 118.458 118.458 118.215 0.243 17554 1657 1 3 . 1 1 105 105 ASN HA H 105 4.728 4.728 4.834 -0.106 17554 1658 1 3 . 1 1 105 105 ASN CA C 105 53.081 53.081 52.213 0.868 17554 1659 1 3 . 1 1 105 105 ASN CB C 105 40.405 40.405 39.469 0.936 17554 1660 1 3 . 1 1 105 105 ASN H H 105 7.061 7.061 7.596 -0.535 17554 1661 1 3 . 1 1 106 106 LEU N N 106 128.727 128.727 128.389 0.338 17554 1662 1 3 . 1 1 106 106 LEU HA H 106 3.732 3.732 3.977 -0.245 17554 1663 1 3 . 1 1 106 106 LEU CA C 106 59.307 59.307 59.160 0.147 17554 1664 1 3 . 1 1 106 106 LEU CB C 106 42.071 42.071 42.230 -0.159 17554 1665 1 3 . 1 1 106 106 LEU H H 106 8.718 8.718 8.598 0.120 17554 1666 1 3 . 1 1 107 107 GLU N N 107 117.325 117.325 117.925 -0.600 17554 1667 1 3 . 1 1 107 107 GLU HA H 107 3.890 3.890 3.924 -0.034 17554 1668 1 3 . 1 1 107 107 GLU CA C 107 60.871 60.871 59.609 1.262 17554 1669 1 3 . 1 1 107 107 GLU CB C 107 28.881 28.881 29.006 -0.125 17554 1670 1 3 . 1 1 107 107 GLU H H 107 8.390 8.390 8.293 0.097 17554 1671 1 3 . 1 1 108 108 ARG N N 108 117.912 117.912 119.950 -2.038 17554 1672 1 3 . 1 1 108 108 ARG HA H 108 4.265 4.265 4.138 0.127 17554 1673 1 3 . 1 1 108 108 ARG CA C 108 58.748 58.748 58.914 -0.166 17554 1674 1 3 . 1 1 108 108 ARG CB C 108 30.650 30.650 30.207 0.442 17554 1675 1 3 . 1 1 108 108 ARG H H 108 8.410 8.410 8.856 -0.446 17554 1676 1 3 . 1 1 109 109 ALA N N 109 127.124 127.124 123.335 3.789 17554 1677 1 3 . 1 1 109 109 ALA HA H 109 3.900 3.900 4.095 -0.195 17554 1678 1 3 . 1 1 109 109 ALA CA C 109 55.518 55.518 55.330 0.188 17554 1679 1 3 . 1 1 109 109 ALA CB C 109 17.772 17.772 18.339 -0.567 17554 1680 1 3 . 1 1 109 109 ALA H H 109 9.083 9.083 8.211 0.872 17554 1681 1 3 . 1 1 110 110 LEU N N 110 118.715 118.715 118.775 -0.060 17554 1682 1 3 . 1 1 110 110 LEU HA H 110 3.777 3.777 3.852 -0.075 17554 1683 1 3 . 1 1 110 110 LEU CA C 110 57.997 57.997 58.079 -0.082 17554 1684 1 3 . 1 1 110 110 LEU CB C 110 40.963 40.963 41.395 -0.432 17554 1685 1 3 . 1 1 110 110 LEU H H 110 8.215 8.215 8.130 0.085 17554 1686 1 3 . 1 1 111 111 ASP N N 111 118.516 118.516 120.142 -1.626 17554 1687 1 3 . 1 1 111 111 ASP HA H 111 4.484 4.484 4.392 0.092 17554 1688 1 3 . 1 1 111 111 ASP CA C 111 57.634 57.634 58.426 -0.792 17554 1689 1 3 . 1 1 111 111 ASP CB C 111 41.026 41.026 41.186 -0.160 17554 1690 1 3 . 1 1 111 111 ASP H H 111 7.400 7.400 8.344 -0.944 17554 1691 1 3 . 1 1 112 112 TRP N N 112 122.780 122.780 121.240 1.540 17554 1692 1 3 . 1 1 112 112 TRP HA H 112 4.097 4.097 4.355 -0.258 17554 1693 1 3 . 1 1 112 112 TRP CA C 112 62.365 62.365 60.800 1.565 17554 1694 1 3 . 1 1 112 112 TRP CB C 112 29.490 29.490 29.718 -0.228 17554 1695 1 3 . 1 1 112 112 TRP H H 112 8.525 8.525 8.419 0.106 17554 1696 1 3 . 1 1 113 113 ILE N N 113 122.469 122.469 118.826 3.643 17554 1697 1 3 . 1 1 113 113 ILE HA H 113 3.575 3.575 3.635 -0.060 17554 1698 1 3 . 1 1 113 113 ILE CA C 113 66.239 66.239 64.914 1.325 17554 1699 1 3 . 1 1 113 113 ILE CB C 113 37.688 37.688 37.531 0.157 17554 1700 1 3 . 1 1 113 113 ILE H H 113 8.618 8.618 8.648 -0.030 17554 1701 1 3 . 1 1 114 114 PHE N N 114 118.665 118.665 121.111 -2.446 17554 1702 1 3 . 1 1 114 114 PHE HA H 114 4.386 4.386 4.269 0.117 17554 1703 1 3 . 1 1 114 114 PHE CA C 114 60.111 60.111 60.343 -0.232 17554 1704 1 3 . 1 1 114 114 PHE CB C 114 38.344 38.344 39.478 -1.134 17554 1705 1 3 . 1 1 114 114 PHE H H 114 8.109 8.109 8.301 -0.192 17554 1706 1 3 . 1 1 115 115 SER N N 115 111.172 111.172 110.983 0.189 17554 1707 1 3 . 1 1 115 115 SER HA H 115 4.333 4.333 4.231 0.102 17554 1708 1 3 . 1 1 115 115 SER CA C 115 58.593 58.593 58.996 -0.403 17554 1709 1 3 . 1 1 115 115 SER CB C 115 64.067 64.067 63.035 1.032 17554 1710 1 3 . 1 1 115 115 SER H H 115 7.723 7.723 7.690 0.033 17554 1711 1 3 . 1 1 116 116 HIS N N 116 119.686 119.686 121.881 -2.195 17554 1712 1 3 . 1 1 116 116 HIS HA H 116 4.749 4.749 4.684 0.065 17554 1713 1 3 . 1 1 116 116 HIS CA C 116 54.476 54.476 53.069 1.407 17554 1714 1 3 . 1 1 116 116 HIS CB C 116 27.310 27.310 30.413 -3.103 17554 1715 1 3 . 1 1 116 116 HIS H H 116 7.407 7.407 7.436 -0.029 17554 1716 1 3 . 1 1 117 117 PRO HA H 117 4.465 4.465 4.169 0.296 17554 1717 1 3 . 1 1 117 117 PRO CA C 117 64.170 64.170 64.632 -0.462 17554 1718 1 3 . 1 1 117 117 PRO CB C 117 31.939 31.939 32.372 -0.433 17554 1719 1 3 . 1 1 118 118 GLU N N 118 119.986 119.986 111.004 8.982 17554 1720 1 3 . 1 1 118 118 GLU HA H 118 4.338 4.338 3.977 0.361 17554 1721 1 3 . 1 1 118 118 GLU CA C 118 56.440 56.440 56.283 0.157 17554 1722 1 3 . 1 1 118 118 GLU CB C 118 29.469 29.469 29.788 -0.319 17554 1723 1 3 . 1 1 118 118 GLU H H 118 8.667 8.667 8.185 0.482 17554 1724 1 3 . 1 1 119 119 PHE N N 119 121.581 121.581 120.269 1.312 17554 1725 1 3 . 1 1 119 119 PHE HA H 119 4.632 4.632 4.562 0.070 17554 1726 1 3 . 1 1 119 119 PHE CA C 119 57.981 57.981 57.800 0.181 17554 1727 1 3 . 1 1 119 119 PHE CB C 119 39.805 39.805 41.158 -1.353 17554 1728 1 3 . 1 1 119 119 PHE H H 119 8.054 8.054 7.502 0.552 17554 1729 1 3 . 1 1 120 120 GLU N N 120 123.882 123.882 119.498 4.384 17554 1730 1 3 . 1 1 120 120 GLU HA H 120 4.273 4.273 3.892 0.381 17554 1731 1 3 . 1 1 120 120 GLU CA C 120 56.127 56.127 56.708 -0.581 17554 1732 1 3 . 1 1 120 120 GLU CB C 120 30.789 30.789 28.518 2.271 17554 1733 1 3 . 1 1 120 120 GLU H H 120 8.264 8.264 7.990 0.274 17554 1734 1 3 . 1 1 121 121 GLU N N 121 122.504 122.504 120.269 2.235 17554 1735 1 3 . 1 1 121 121 GLU HA H 121 4.213 4.213 4.362 -0.149 17554 1736 1 3 . 1 1 121 121 GLU CA C 121 56.634 56.634 55.564 1.070 17554 1737 1 3 . 1 1 121 121 GLU CB C 121 30.580 30.580 30.651 -0.071 17554 1738 1 3 . 1 1 121 121 GLU H H 121 8.398 8.398 7.830 0.568 17554 1739 1 3 . 1 1 122 122 ASP N N 122 121.820 121.820 118.867 2.953 17554 1740 1 3 . 1 1 122 122 ASP HA H 122 4.627 4.627 4.383 0.244 17554 1741 1 3 . 1 1 122 122 ASP CA C 122 54.443 54.443 54.235 0.208 17554 1742 1 3 . 1 1 122 122 ASP CB C 122 41.237 41.237 40.213 1.024 17554 1743 1 3 . 1 1 122 122 ASP H H 122 8.478 8.478 8.258 0.220 17554 1744 1 3 . 1 1 123 123 SER N N 123 116.397 116.397 115.631 0.766 17554 1745 1 3 . 1 1 123 123 SER HA H 123 4.392 4.392 4.282 0.110 17554 1746 1 3 . 1 1 123 123 SER CA C 123 58.605 58.605 58.442 0.163 17554 1747 1 3 . 1 1 123 123 SER CB C 123 64.064 64.064 63.766 0.298 17554 1748 1 3 . 1 1 123 123 SER H H 123 8.236 8.236 8.163 0.073 17554 1749 1 3 . 1 1 124 124 ASP N N 124 122.070 122.070 126.840 -4.770 17554 1750 1 3 . 1 1 124 124 ASP HA H 124 4.599 4.599 4.063 0.536 17554 1751 1 3 . 1 1 124 124 ASP CA C 124 54.501 54.501 55.998 -1.497 17554 1752 1 3 . 1 1 124 124 ASP CB C 124 41.106 41.106 40.502 0.604 17554 1753 1 3 . 1 1 124 124 ASP H H 124 8.378 8.378 8.636 -0.258 17554 1754 1 3 . 1 1 125 125 PHE N N 125 120.274 120.274 116.872 3.402 17554 1755 1 3 . 1 1 125 125 PHE HA H 125 4.623 4.623 4.655 -0.032 17554 1756 1 3 . 1 1 125 125 PHE CA C 125 57.913 57.913 57.324 0.589 17554 1757 1 3 . 1 1 125 125 PHE CB C 125 39.601 39.601 39.622 -0.021 17554 1758 1 3 . 1 1 125 125 PHE H H 125 8.049 8.049 7.908 0.141 17554 1759 1 4 . 1 1 2 2 ILE N N 2 117.266 117.266 121.099 -3.833 17554 1760 1 4 . 1 1 2 2 ILE HA H 2 3.919 3.919 4.502 -0.583 17554 1761 1 4 . 1 1 2 2 ILE CA C 2 60.653 60.653 60.410 0.243 17554 1762 1 4 . 1 1 2 2 ILE CB C 2 41.029 41.029 40.521 0.508 17554 1763 1 4 . 1 1 2 2 ILE H H 2 7.746 7.746 7.818 -0.072 17554 1764 1 4 . 1 1 3 3 ASP N N 3 125.895 125.895 128.260 -2.365 17554 1765 1 4 . 1 1 3 3 ASP HA H 3 4.606 4.606 4.569 0.037 17554 1766 1 4 . 1 1 3 3 ASP CA C 3 54.349 54.349 54.352 -0.003 17554 1767 1 4 . 1 1 3 3 ASP CB C 3 41.214 41.214 40.057 1.157 17554 1768 1 4 . 1 1 3 3 ASP H H 3 8.328 8.328 9.008 -0.680 17554 1769 1 4 . 1 1 4 4 GLU N N 4 128.620 128.620 122.970 5.650 17554 1770 1 4 . 1 1 4 4 GLU HA H 4 3.948 3.948 4.116 -0.168 17554 1771 1 4 . 1 1 4 4 GLU CA C 4 58.981 58.981 58.729 0.252 17554 1772 1 4 . 1 1 4 4 GLU CB C 4 29.631 29.631 29.584 0.048 17554 1773 1 4 . 1 1 4 4 GLU H H 4 8.991 8.991 8.117 0.874 17554 1774 1 4 . 1 1 5 5 SER N N 5 115.342 115.342 116.366 -1.024 17554 1775 1 4 . 1 1 5 5 SER HA H 5 4.254 4.254 4.209 0.045 17554 1776 1 4 . 1 1 5 5 SER CA C 5 61.961 61.961 61.651 0.309 17554 1777 1 4 . 1 1 5 5 SER CB C 5 62.222 62.222 62.150 0.072 17554 1778 1 4 . 1 1 5 5 SER H H 5 8.634 8.634 8.326 0.307 17554 1779 1 4 . 1 1 6 6 SER N N 6 119.418 119.418 119.114 0.304 17554 1780 1 4 . 1 1 6 6 SER HA H 6 4.354 4.354 4.203 0.151 17554 1781 1 4 . 1 1 6 6 SER CA C 6 61.729 61.729 62.144 -0.415 17554 1782 1 4 . 1 1 6 6 SER CB C 6 63.366 63.366 62.847 0.519 17554 1783 1 4 . 1 1 6 6 SER H H 6 7.670 7.670 8.176 -0.506 17554 1784 1 4 . 1 1 7 7 VAL N N 7 120.774 120.774 122.505 -1.731 17554 1785 1 4 . 1 1 7 7 VAL HA H 7 3.234 3.234 3.793 -0.559 17554 1786 1 4 . 1 1 7 7 VAL CA C 7 67.151 67.151 65.185 1.966 17554 1787 1 4 . 1 1 7 7 VAL CB C 7 31.792 31.792 31.814 -0.021 17554 1788 1 4 . 1 1 7 7 VAL H H 7 7.286 7.286 7.422 -0.136 17554 1789 1 4 . 1 1 8 8 MET N N 8 116.159 116.159 118.237 -2.078 17554 1790 1 4 . 1 1 8 8 MET HA H 8 4.356 4.356 3.962 0.395 17554 1791 1 4 . 1 1 8 8 MET CA C 8 57.482 57.482 59.446 -1.964 17554 1792 1 4 . 1 1 8 8 MET CB C 8 31.341 31.341 31.947 -0.606 17554 1793 1 4 . 1 1 8 8 MET H H 8 8.244 8.244 8.262 -0.018 17554 1794 1 4 . 1 1 9 9 GLN N N 9 119.708 119.708 118.903 0.805 17554 1795 1 4 . 1 1 9 9 GLN HA H 9 4.101 4.101 4.079 0.022 17554 1796 1 4 . 1 1 9 9 GLN CA C 9 59.331 59.331 58.922 0.409 17554 1797 1 4 . 1 1 9 9 GLN CB C 9 28.880 28.880 28.379 0.501 17554 1798 1 4 . 1 1 9 9 GLN H H 9 7.855 7.855 7.798 0.057 17554 1799 1 4 . 1 1 10 10 LEU N N 10 118.986 118.986 117.515 1.471 17554 1800 1 4 . 1 1 10 10 LEU HA H 10 4.463 4.463 4.213 0.250 17554 1801 1 4 . 1 1 10 10 LEU CA C 10 57.438 57.438 57.546 -0.108 17554 1802 1 4 . 1 1 10 10 LEU CB C 10 42.943 42.943 41.083 1.860 17554 1803 1 4 . 1 1 10 10 LEU H H 10 7.432 7.432 7.670 -0.238 17554 1804 1 4 . 1 1 11 11 ALA N N 11 125.146 125.146 121.549 3.597 17554 1805 1 4 . 1 1 11 11 ALA HA H 11 4.411 4.411 4.329 0.082 17554 1806 1 4 . 1 1 11 11 ALA CA C 11 55.259 55.259 54.612 0.647 17554 1807 1 4 . 1 1 11 11 ALA CB C 11 17.734 17.734 18.603 -0.869 17554 1808 1 4 . 1 1 11 11 ALA H H 11 8.797 8.797 8.345 0.452 17554 1809 1 4 . 1 1 12 12 GLU N N 12 119.871 119.871 117.074 2.797 17554 1810 1 4 . 1 1 12 12 GLU HA H 12 4.117 4.117 4.242 -0.125 17554 1811 1 4 . 1 1 12 12 GLU CA C 12 58.473 58.473 57.885 0.588 17554 1812 1 4 . 1 1 12 12 GLU CB C 12 29.531 29.531 29.960 -0.429 17554 1813 1 4 . 1 1 12 12 GLU H H 12 8.178 8.178 7.907 0.271 17554 1814 1 4 . 1 1 13 13 MET N N 13 116.292 116.292 115.869 0.423 17554 1815 1 4 . 1 1 13 13 MET HA H 13 4.296 4.296 4.779 -0.483 17554 1816 1 4 . 1 1 13 13 MET CA C 13 56.797 56.797 55.526 1.271 17554 1817 1 4 . 1 1 13 13 MET CB C 13 33.221 33.221 32.253 0.968 17554 1818 1 4 . 1 1 13 13 MET H H 13 7.619 7.619 7.961 -0.342 17554 1819 1 4 . 1 1 14 14 GLY N N 14 104.580 104.580 108.882 -4.302 17554 1820 1 4 . 1 1 14 14 GLY CA C 14 44.860 44.860 45.986 -1.127 17554 1821 1 4 . 1 1 14 14 GLY H H 14 7.873 7.873 7.627 0.246 17554 1822 1 4 . 1 1 15 15 PHE N N 15 118.802 118.802 113.873 4.929 17554 1823 1 4 . 1 1 15 15 PHE HA H 15 5.017 5.017 5.204 -0.187 17554 1824 1 4 . 1 1 15 15 PHE CA C 15 56.352 56.352 55.226 1.126 17554 1825 1 4 . 1 1 15 15 PHE CB C 15 39.395 39.395 39.510 -0.115 17554 1826 1 4 . 1 1 15 15 PHE H H 15 6.623 6.623 7.631 -1.008 17554 1827 1 4 . 1 1 16 16 PRO HA H 16 4.530 4.530 4.416 0.114 17554 1828 1 4 . 1 1 16 16 PRO CA C 16 63.064 63.064 63.758 -0.694 17554 1829 1 4 . 1 1 16 16 PRO CB C 16 32.293 32.293 31.071 1.222 17554 1830 1 4 . 1 1 17 17 LEU N N 17 128.389 128.389 125.050 3.339 17554 1831 1 4 . 1 1 17 17 LEU HA H 17 3.945 3.945 4.392 -0.447 17554 1832 1 4 . 1 1 17 17 LEU CA C 17 59.601 59.601 53.514 6.087 17554 1833 1 4 . 1 1 17 17 LEU CB C 17 42.248 42.248 40.511 1.737 17554 1834 1 4 . 1 1 17 17 LEU H H 17 9.041 9.041 8.012 1.029 17554 1835 1 4 . 1 1 18 18 GLU N N 18 114.837 114.837 123.125 -8.288 17554 1836 1 4 . 1 1 18 18 GLU HA H 18 4.067 4.067 3.822 0.245 17554 1837 1 4 . 1 1 18 18 GLU CA C 18 59.139 59.139 59.724 -0.585 17554 1838 1 4 . 1 1 18 18 GLU CB C 18 28.874 28.874 29.692 -0.818 17554 1839 1 4 . 1 1 18 18 GLU H H 18 9.267 9.267 7.937 1.330 17554 1840 1 4 . 1 1 19 19 ALA N N 19 119.137 119.137 121.275 -2.138 17554 1841 1 4 . 1 1 19 19 ALA HA H 19 3.918 3.918 3.884 0.034 17554 1842 1 4 . 1 1 19 19 ALA CA C 19 54.872 54.872 55.233 -0.361 17554 1843 1 4 . 1 1 19 19 ALA CB C 19 17.972 17.972 17.782 0.191 17554 1844 1 4 . 1 1 19 19 ALA H H 19 6.838 6.838 8.501 -1.663 17554 1845 1 4 . 1 1 20 20 CYS N N 20 116.877 116.877 117.509 -0.632 17554 1846 1 4 . 1 1 20 20 CYS HA H 20 3.891 3.891 4.253 -0.362 17554 1847 1 4 . 1 1 20 20 CYS CA C 20 63.356 63.356 60.891 2.465 17554 1848 1 4 . 1 1 20 20 CYS CB C 20 28.018 28.018 26.348 1.671 17554 1849 1 4 . 1 1 20 20 CYS H H 20 7.610 7.610 8.189 -0.579 17554 1850 1 4 . 1 1 21 21 ARG N N 21 117.434 117.434 121.169 -3.735 17554 1851 1 4 . 1 1 21 21 ARG HA H 21 3.696 3.696 3.957 -0.261 17554 1852 1 4 . 1 1 21 21 ARG CA C 21 60.192 60.192 59.608 0.584 17554 1853 1 4 . 1 1 21 21 ARG CB C 21 30.175 30.175 29.889 0.286 17554 1854 1 4 . 1 1 21 21 ARG H H 21 7.965 7.965 7.700 0.265 17554 1855 1 4 . 1 1 22 22 LYS N N 22 117.667 117.667 118.411 -0.744 17554 1856 1 4 . 1 1 22 22 LYS HA H 22 3.412 3.412 4.033 -0.621 17554 1857 1 4 . 1 1 22 22 LYS CA C 22 60.181 60.181 59.126 1.055 17554 1858 1 4 . 1 1 22 22 LYS CB C 22 32.085 32.085 32.122 -0.037 17554 1859 1 4 . 1 1 22 22 LYS H H 22 7.392 7.392 7.930 -0.538 17554 1860 1 4 . 1 1 23 23 ALA N N 23 120.670 120.670 122.870 -2.200 17554 1861 1 4 . 1 1 23 23 ALA HA H 23 3.015 3.015 3.586 -0.571 17554 1862 1 4 . 1 1 23 23 ALA CA C 23 54.845 54.845 54.721 0.124 17554 1863 1 4 . 1 1 23 23 ALA CB C 23 19.900 19.900 17.651 2.248 17554 1864 1 4 . 1 1 23 23 ALA H H 23 8.043 8.043 7.942 0.101 17554 1865 1 4 . 1 1 24 24 VAL N N 24 117.629 117.629 119.777 -2.148 17554 1866 1 4 . 1 1 24 24 VAL HA H 24 3.510 3.510 3.601 -0.091 17554 1867 1 4 . 1 1 24 24 VAL CA C 24 65.665 65.665 66.837 -1.172 17554 1868 1 4 . 1 1 24 24 VAL CB C 24 32.009 32.009 31.771 0.237 17554 1869 1 4 . 1 1 24 24 VAL H H 24 7.381 7.381 8.765 -1.384 17554 1870 1 4 . 1 1 25 25 TYR N N 25 120.392 120.392 121.192 -0.800 17554 1871 1 4 . 1 1 25 25 TYR HA H 25 3.860 3.860 4.082 -0.222 17554 1872 1 4 . 1 1 25 25 TYR CA C 25 62.098 62.098 61.285 0.813 17554 1873 1 4 . 1 1 25 25 TYR CB C 25 38.735 38.735 38.636 0.099 17554 1874 1 4 . 1 1 25 25 TYR H H 25 8.029 8.029 7.638 0.391 17554 1875 1 4 . 1 1 26 26 PHE N N 26 116.460 116.460 118.911 -2.451 17554 1876 1 4 . 1 1 26 26 PHE HA H 26 4.181 4.181 4.091 0.090 17554 1877 1 4 . 1 1 26 26 PHE CA C 26 60.345 60.345 60.568 -0.223 17554 1878 1 4 . 1 1 26 26 PHE CB C 26 37.917 37.917 39.189 -1.272 17554 1879 1 4 . 1 1 26 26 PHE H H 26 9.102 9.102 8.303 0.799 17554 1880 1 4 . 1 1 27 27 THR N N 27 106.212 106.212 110.660 -4.448 17554 1881 1 4 . 1 1 27 27 THR HA H 27 4.477 4.477 4.007 0.470 17554 1882 1 4 . 1 1 27 27 THR CA C 27 61.195 61.195 63.090 -1.895 17554 1883 1 4 . 1 1 27 27 THR CB C 27 69.061 69.061 69.210 -0.149 17554 1884 1 4 . 1 1 27 27 THR H H 27 7.050 7.050 8.147 -1.097 17554 1885 1 4 . 1 1 28 28 GLY N N 28 107.275 107.275 108.559 -1.284 17554 1886 1 4 . 1 1 28 28 GLY CA C 28 46.575 46.575 44.702 1.873 17554 1887 1 4 . 1 1 28 28 GLY H H 28 7.278 7.278 7.129 0.149 17554 1888 1 4 . 1 1 29 29 ASN N N 29 118.189 118.189 115.646 2.543 17554 1889 1 4 . 1 1 29 29 ASN HA H 29 4.342 4.342 4.289 0.053 17554 1890 1 4 . 1 1 29 29 ASN CA C 29 53.614 53.614 54.280 -0.666 17554 1891 1 4 . 1 1 29 29 ASN CB C 29 37.302 37.302 36.945 0.357 17554 1892 1 4 . 1 1 29 29 ASN H H 29 8.704 8.704 8.794 -0.090 17554 1893 1 4 . 1 1 30 30 MET N N 30 119.241 119.241 117.451 1.790 17554 1894 1 4 . 1 1 30 30 MET HA H 30 4.791 4.791 4.404 0.387 17554 1895 1 4 . 1 1 30 30 MET CA C 30 53.943 53.943 54.389 -0.446 17554 1896 1 4 . 1 1 30 30 MET CB C 30 33.263 33.263 32.265 0.998 17554 1897 1 4 . 1 1 30 30 MET H H 30 8.921 8.921 7.515 1.406 17554 1898 1 4 . 1 1 31 31 GLY N N 31 109.623 109.623 105.379 4.244 17554 1899 1 4 . 1 1 31 31 GLY CA C 31 44.151 44.151 44.247 -0.096 17554 1900 1 4 . 1 1 31 31 GLY H H 31 8.349 8.349 7.400 0.949 17554 1901 1 4 . 1 1 32 32 ALA N N 32 121.096 121.096 122.639 -1.543 17554 1902 1 4 . 1 1 32 32 ALA HA H 32 3.980 3.980 4.116 -0.136 17554 1903 1 4 . 1 1 32 32 ALA CA C 32 55.192 55.192 54.794 0.398 17554 1904 1 4 . 1 1 32 32 ALA CB C 32 19.058 19.058 19.170 -0.112 17554 1905 1 4 . 1 1 32 32 ALA H H 32 8.899 8.899 8.606 0.293 17554 1906 1 4 . 1 1 33 33 GLU N N 33 119.428 119.428 118.482 0.946 17554 1907 1 4 . 1 1 33 33 GLU HA H 33 4.095 4.095 4.129 -0.034 17554 1908 1 4 . 1 1 33 33 GLU CA C 33 60.864 60.864 59.120 1.744 17554 1909 1 4 . 1 1 33 33 GLU CB C 33 28.661 28.661 29.088 -0.427 17554 1910 1 4 . 1 1 33 33 GLU H H 33 8.705 8.705 8.652 0.053 17554 1911 1 4 . 1 1 34 34 VAL N N 34 117.216 117.216 119.786 -2.570 17554 1912 1 4 . 1 1 34 34 VAL HA H 34 4.062 4.062 3.932 0.130 17554 1913 1 4 . 1 1 34 34 VAL CA C 34 65.178 65.178 65.970 -0.792 17554 1914 1 4 . 1 1 34 34 VAL CB C 34 31.684 31.684 31.610 0.074 17554 1915 1 4 . 1 1 34 34 VAL H H 34 8.178 8.178 7.902 0.276 17554 1916 1 4 . 1 1 35 35 ALA N N 35 123.635 123.635 122.534 1.101 17554 1917 1 4 . 1 1 35 35 ALA HA H 35 4.289 4.289 4.232 0.057 17554 1918 1 4 . 1 1 35 35 ALA CA C 35 54.787 54.787 54.859 -0.072 17554 1919 1 4 . 1 1 35 35 ALA CB C 35 19.794 19.794 18.265 1.528 17554 1920 1 4 . 1 1 35 35 ALA H H 35 7.178 7.178 7.710 -0.532 17554 1921 1 4 . 1 1 36 36 PHE N N 36 120.976 120.976 120.144 0.832 17554 1922 1 4 . 1 1 36 36 PHE HA H 36 4.079 4.079 4.106 -0.027 17554 1923 1 4 . 1 1 36 36 PHE CA C 36 61.339 61.339 62.034 -0.695 17554 1924 1 4 . 1 1 36 36 PHE CB C 36 38.952 38.952 39.093 -0.141 17554 1925 1 4 . 1 1 36 36 PHE H H 36 8.832 8.832 8.950 -0.118 17554 1926 1 4 . 1 1 37 37 ASN N N 37 114.823 114.823 118.250 -3.427 17554 1927 1 4 . 1 1 37 37 ASN HA H 37 4.318 4.318 4.215 0.103 17554 1928 1 4 . 1 1 37 37 ASN CA C 37 56.379 56.379 56.389 -0.010 17554 1929 1 4 . 1 1 37 37 ASN CB C 37 38.288 38.288 38.367 -0.080 17554 1930 1 4 . 1 1 37 37 ASN H H 37 7.591 7.591 7.993 -0.402 17554 1931 1 4 . 1 1 38 38 TRP N N 38 119.984 119.984 121.984 -2.000 17554 1932 1 4 . 1 1 38 38 TRP HA H 38 4.191 4.191 4.412 -0.221 17554 1933 1 4 . 1 1 38 38 TRP CA C 38 62.279 62.279 61.572 0.707 17554 1934 1 4 . 1 1 38 38 TRP CB C 38 30.545 30.545 29.762 0.783 17554 1935 1 4 . 1 1 38 38 TRP H H 38 7.630 7.630 7.934 -0.304 17554 1936 1 4 . 1 1 39 39 ILE N N 39 121.183 121.183 121.059 0.124 17554 1937 1 4 . 1 1 39 39 ILE HA H 39 3.647 3.647 3.986 -0.339 17554 1938 1 4 . 1 1 39 39 ILE CA C 39 65.651 65.651 63.141 2.510 17554 1939 1 4 . 1 1 39 39 ILE CB C 39 36.375 36.375 38.330 -1.955 17554 1940 1 4 . 1 1 39 39 ILE H H 39 8.017 8.017 8.470 -0.453 17554 1941 1 4 . 1 1 40 40 ILE N N 40 115.084 115.084 117.719 -2.635 17554 1942 1 4 . 1 1 40 40 ILE HA H 40 3.665 3.665 3.729 -0.064 17554 1943 1 4 . 1 1 40 40 ILE CA C 40 63.224 63.224 64.107 -0.883 17554 1944 1 4 . 1 1 40 40 ILE CB C 40 36.681 36.681 36.931 -0.251 17554 1945 1 4 . 1 1 40 40 ILE H H 40 7.474 7.474 7.985 -0.511 17554 1946 1 4 . 1 1 41 41 VAL N N 41 116.045 116.045 118.581 -2.536 17554 1947 1 4 . 1 1 41 41 VAL HA H 41 3.661 3.661 3.667 -0.006 17554 1948 1 4 . 1 1 41 41 VAL CA C 41 64.452 64.452 65.366 -0.914 17554 1949 1 4 . 1 1 41 41 VAL CB C 41 32.156 32.156 31.176 0.980 17554 1950 1 4 . 1 1 41 41 VAL H H 41 7.054 7.054 7.586 -0.532 17554 1951 1 4 . 1 1 42 42 HIS N N 42 115.595 115.595 115.495 0.100 17554 1952 1 4 . 1 1 42 42 HIS HA H 42 4.098 4.098 4.606 -0.508 17554 1953 1 4 . 1 1 42 42 HIS CA C 42 57.365 57.365 56.390 0.975 17554 1954 1 4 . 1 1 42 42 HIS CB C 42 28.251 28.251 29.143 -0.892 17554 1955 1 4 . 1 1 42 42 HIS H H 42 7.353 7.353 7.431 -0.078 17554 1956 1 4 . 1 1 43 43 MET N N 43 117.495 117.495 117.049 0.446 17554 1957 1 4 . 1 1 43 43 MET HA H 43 2.064 2.064 4.650 -2.586 17554 1958 1 4 . 1 1 43 43 MET CA C 43 57.980 57.980 57.385 0.595 17554 1959 1 4 . 1 1 43 43 MET CB C 43 32.258 32.258 32.017 0.241 17554 1960 1 4 . 1 1 43 43 MET H H 43 7.373 7.373 7.566 -0.193 17554 1961 1 4 . 1 1 44 44 GLU N N 44 116.844 116.844 119.213 -2.369 17554 1962 1 4 . 1 1 44 44 GLU HA H 44 4.346 4.346 4.103 0.243 17554 1963 1 4 . 1 1 44 44 GLU CA C 44 55.838 55.838 57.458 -1.620 17554 1964 1 4 . 1 1 44 44 GLU CB C 44 29.351 29.351 29.198 0.153 17554 1965 1 4 . 1 1 44 44 GLU H H 44 8.102 8.102 8.260 -0.158 17554 1966 1 4 . 1 1 45 45 GLU N N 45 121.925 121.925 119.474 2.451 17554 1967 1 4 . 1 1 45 45 GLU HA H 45 4.426 4.426 4.620 -0.194 17554 1968 1 4 . 1 1 45 45 GLU CA C 45 55.141 55.141 53.060 2.081 17554 1969 1 4 . 1 1 45 45 GLU CB C 45 28.513 28.513 29.544 -1.031 17554 1970 1 4 . 1 1 45 45 GLU H H 45 7.853 7.853 7.592 0.261 17554 1971 1 4 . 1 1 46 46 PRO HA H 46 4.440 4.440 4.225 0.215 17554 1972 1 4 . 1 1 46 46 PRO CA C 46 65.070 65.070 65.415 -0.344 17554 1973 1 4 . 1 1 46 46 PRO CB C 46 31.850 31.850 32.051 -0.201 17554 1974 1 4 . 1 1 47 47 ASP N N 47 115.051 115.051 116.312 -1.261 17554 1975 1 4 . 1 1 47 47 ASP HA H 47 4.686 4.686 4.736 -0.050 17554 1976 1 4 . 1 1 47 47 ASP CA C 47 52.841 52.841 53.056 -0.215 17554 1977 1 4 . 1 1 47 47 ASP CB C 47 39.711 39.711 40.035 -0.324 17554 1978 1 4 . 1 1 47 47 ASP H H 47 8.437 8.437 8.443 -0.006 17554 1979 1 4 . 1 1 48 48 PHE N N 48 122.693 122.693 120.182 2.511 17554 1980 1 4 . 1 1 48 48 PHE HA H 48 4.522 4.522 4.315 0.207 17554 1981 1 4 . 1 1 48 48 PHE CA C 48 60.887 60.887 59.138 1.749 17554 1982 1 4 . 1 1 48 48 PHE CB C 48 40.495 40.495 39.711 0.784 17554 1983 1 4 . 1 1 48 48 PHE H H 48 7.695 7.695 7.707 -0.012 17554 1984 1 4 . 1 1 49 49 ALA N N 49 117.185 117.185 121.119 -3.934 17554 1985 1 4 . 1 1 49 49 ALA HA H 49 4.099 4.099 4.496 -0.397 17554 1986 1 4 . 1 1 49 49 ALA CA C 49 51.211 51.211 51.606 -0.395 17554 1987 1 4 . 1 1 49 49 ALA CB C 49 19.067 19.067 20.803 -1.736 17554 1988 1 4 . 1 1 49 49 ALA H H 49 8.643 8.643 7.771 0.872 17554 1989 1 4 . 1 1 50 50 GLU N N 50 119.707 119.707 118.462 1.245 17554 1990 1 4 . 1 1 50 50 GLU HA H 50 4.412 4.412 4.755 -0.343 17554 1991 1 4 . 1 1 50 50 GLU CA C 50 54.755 54.755 53.289 1.466 17554 1992 1 4 . 1 1 50 50 GLU CB C 50 29.274 29.274 31.475 -2.201 17554 1993 1 4 . 1 1 50 50 GLU H H 50 7.412 7.412 8.183 -0.771 17554 1994 1 4 . 1 1 51 51 PRO HA H 51 4.315 4.315 4.537 -0.222 17554 1995 1 4 . 1 1 51 51 PRO CA C 51 62.863 62.863 62.665 0.198 17554 1996 1 4 . 1 1 51 51 PRO CB C 51 32.408 32.408 30.595 1.813 17554 1997 1 4 . 1 1 52 52 LEU N N 52 123.507 123.507 124.272 -0.765 17554 1998 1 4 . 1 1 52 52 LEU HA H 52 4.210 4.210 4.594 -0.384 17554 1999 1 4 . 1 1 52 52 LEU CA C 52 55.217 55.217 54.600 0.617 17554 2000 1 4 . 1 1 52 52 LEU CB C 52 42.918 42.918 43.516 -0.598 17554 2001 1 4 . 1 1 52 52 LEU H H 52 8.475 8.475 7.876 0.599 17554 2002 1 4 . 1 1 53 53 THR N N 53 119.005 119.005 119.688 -0.683 17554 2003 1 4 . 1 1 53 53 THR HA H 53 4.292 4.292 4.023 0.269 17554 2004 1 4 . 1 1 53 53 THR CA C 53 61.478 61.478 63.066 -1.588 17554 2005 1 4 . 1 1 53 53 THR CB C 53 69.752 69.752 68.885 0.867 17554 2006 1 4 . 1 1 53 53 THR H H 53 8.371 8.371 8.503 -0.132 17554 2007 1 4 . 1 1 54 54 MET N N 54 124.439 124.439 124.856 -0.417 17554 2008 1 4 . 1 1 54 54 MET HA H 54 4.651 4.651 4.837 -0.186 17554 2009 1 4 . 1 1 54 54 MET CA C 54 53.235 53.235 53.715 -0.480 17554 2010 1 4 . 1 1 54 54 MET CB C 54 32.605 32.605 32.046 0.559 17554 2011 1 4 . 1 1 54 54 MET H H 54 8.264 8.264 8.224 0.040 17554 2012 1 4 . 1 1 55 55 PRO HA H 55 4.368 4.368 4.588 -0.220 17554 2013 1 4 . 1 1 55 55 PRO CA C 55 63.668 63.668 63.024 0.644 17554 2014 1 4 . 1 1 55 55 PRO CB C 55 32.038 32.038 32.584 -0.546 17554 2015 1 4 . 1 1 56 56 GLY N N 56 109.663 109.663 105.637 4.026 17554 2016 1 4 . 1 1 56 56 GLY CA C 56 45.314 45.314 44.630 0.684 17554 2017 1 4 . 1 1 56 56 GLY H H 56 8.461 8.461 7.760 0.701 17554 2018 1 4 . 1 1 57 57 TYR N N 57 120.317 120.317 118.335 1.982 17554 2019 1 4 . 1 1 57 57 TYR HA H 57 4.528 4.528 5.182 -0.654 17554 2020 1 4 . 1 1 57 57 TYR CA C 57 58.132 58.132 57.863 0.269 17554 2021 1 4 . 1 1 57 57 TYR CB C 57 38.958 38.958 39.554 -0.596 17554 2022 1 4 . 1 1 57 57 TYR H H 57 8.033 8.033 8.179 -0.146 17554 2023 1 4 . 1 1 58 58 GLY N N 58 111.694 111.694 107.408 4.286 17554 2024 1 4 . 1 1 58 58 GLY CA C 58 45.489 45.489 44.918 0.571 17554 2025 1 4 . 1 1 58 58 GLY H H 58 8.423 8.423 7.393 1.030 17554 2026 1 4 . 1 1 59 59 GLY N N 59 108.403 108.403 107.713 0.690 17554 2027 1 4 . 1 1 59 59 GLY CA C 59 45.210 45.210 44.425 0.785 17554 2028 1 4 . 1 1 59 59 GLY H H 59 7.871 7.871 8.298 -0.427 17554 2029 1 4 . 1 1 60 60 ALA N N 60 123.835 123.835 122.349 1.486 17554 2030 1 4 . 1 1 60 60 ALA HA H 60 4.294 4.294 4.835 -0.541 17554 2031 1 4 . 1 1 60 60 ALA CA C 60 52.710 52.710 51.585 1.125 17554 2032 1 4 . 1 1 60 60 ALA CB C 60 19.353 19.353 19.679 -0.326 17554 2033 1 4 . 1 1 60 60 ALA H H 60 8.207 8.207 7.945 0.262 17554 2034 1 4 . 1 1 61 61 ALA N N 61 123.032 123.032 121.898 1.134 17554 2035 1 4 . 1 1 61 61 ALA HA H 61 4.316 4.316 4.255 0.061 17554 2036 1 4 . 1 1 61 61 ALA CA C 61 52.751 52.751 52.114 0.637 17554 2037 1 4 . 1 1 61 61 ALA CB C 61 19.096 19.096 18.356 0.740 17554 2038 1 4 . 1 1 61 61 ALA H H 61 8.331 8.331 8.093 0.238 17554 2039 1 4 . 1 1 62 62 SER N N 62 114.625 114.625 115.866 -1.241 17554 2040 1 4 . 1 1 62 62 SER HA H 62 4.406 4.406 4.556 -0.149 17554 2041 1 4 . 1 1 62 62 SER CA C 62 58.283 58.283 57.967 0.316 17554 2042 1 4 . 1 1 62 62 SER CB C 62 63.858 63.858 63.549 0.309 17554 2043 1 4 . 1 1 62 62 SER H H 62 8.158 8.158 8.151 0.007 17554 2044 1 4 . 1 1 63 63 ALA N N 63 125.890 125.890 128.045 -2.155 17554 2045 1 4 . 1 1 63 63 ALA HA H 63 4.314 4.314 4.641 -0.327 17554 2046 1 4 . 1 1 63 63 ALA CA C 63 52.926 52.926 51.912 1.014 17554 2047 1 4 . 1 1 63 63 ALA CB C 63 19.216 19.216 20.363 -1.147 17554 2048 1 4 . 1 1 63 63 ALA H H 63 8.294 8.294 8.268 0.026 17554 2049 1 4 . 1 1 64 64 GLY N N 64 107.980 107.980 109.337 -1.357 17554 2050 1 4 . 1 1 64 64 GLY CA C 64 45.324 45.324 45.383 -0.059 17554 2051 1 4 . 1 1 64 64 GLY H H 64 8.321 8.321 8.575 -0.254 17554 2052 1 4 . 1 1 65 65 ALA N N 65 123.524 123.524 125.636 -2.112 17554 2053 1 4 . 1 1 65 65 ALA HA H 65 4.330 4.330 4.386 -0.056 17554 2054 1 4 . 1 1 65 65 ALA CA C 65 52.589 52.589 51.478 1.111 17554 2055 1 4 . 1 1 65 65 ALA CB C 65 19.438 19.438 19.960 -0.522 17554 2056 1 4 . 1 1 65 65 ALA H H 65 8.088 8.088 8.218 -0.130 17554 2057 1 4 . 1 1 66 66 SER N N 66 115.072 115.072 114.508 0.564 17554 2058 1 4 . 1 1 66 66 SER HA H 66 4.442 4.442 4.393 0.049 17554 2059 1 4 . 1 1 66 66 SER CA C 66 58.334 58.334 57.566 0.768 17554 2060 1 4 . 1 1 66 66 SER CB C 66 63.804 63.804 63.495 0.309 17554 2061 1 4 . 1 1 66 66 SER H H 66 8.297 8.297 7.629 0.668 17554 2062 1 4 . 1 1 67 67 VAL N N 67 121.228 121.228 121.469 -0.241 17554 2063 1 4 . 1 1 67 67 VAL HA H 67 4.075 4.075 4.062 0.013 17554 2064 1 4 . 1 1 67 67 VAL CA C 67 62.417 62.417 63.543 -1.126 17554 2065 1 4 . 1 1 67 67 VAL CB C 67 32.611 32.611 32.072 0.540 17554 2066 1 4 . 1 1 67 67 VAL H H 67 8.007 8.007 7.981 0.026 17554 2067 1 4 . 1 1 68 68 PHE N N 68 123.068 123.068 117.233 5.835 17554 2068 1 4 . 1 1 68 68 PHE HA H 68 4.618 4.618 4.620 -0.002 17554 2069 1 4 . 1 1 68 68 PHE CA C 68 57.981 57.981 56.341 1.640 17554 2070 1 4 . 1 1 68 68 PHE CB C 68 39.618 39.618 36.417 3.201 17554 2071 1 4 . 1 1 68 68 PHE H H 68 8.255 8.255 7.498 0.757 17554 2072 1 4 . 1 1 69 69 GLY N N 69 110.709 110.709 109.641 1.068 17554 2073 1 4 . 1 1 69 69 GLY CA C 69 45.339 45.339 44.908 0.431 17554 2074 1 4 . 1 1 69 69 GLY H H 69 8.234 8.234 8.123 0.111 17554 2075 1 4 . 1 1 70 70 ALA N N 70 123.857 123.857 122.978 0.879 17554 2076 1 4 . 1 1 70 70 ALA HA H 70 4.348 4.348 4.742 -0.394 17554 2077 1 4 . 1 1 70 70 ALA CA C 70 52.626 52.626 50.657 1.969 17554 2078 1 4 . 1 1 70 70 ALA CB C 70 19.386 19.386 20.596 -1.210 17554 2079 1 4 . 1 1 70 70 ALA H H 70 8.140 8.140 7.729 0.411 17554 2080 1 4 . 1 1 71 71 SER N N 71 115.019 115.019 117.493 -2.474 17554 2081 1 4 . 1 1 71 71 SER HA H 71 4.441 4.441 4.420 0.021 17554 2082 1 4 . 1 1 71 71 SER CA C 71 58.592 58.592 58.376 0.216 17554 2083 1 4 . 1 1 71 71 SER CB C 71 63.975 63.975 61.605 2.370 17554 2084 1 4 . 1 1 71 71 SER H H 71 8.379 8.379 8.752 -0.373 17554 2085 1 4 . 1 1 72 72 GLY N N 72 110.640 110.640 112.987 -2.347 17554 2086 1 4 . 1 1 72 72 GLY CA C 72 45.546 45.546 45.989 -0.443 17554 2087 1 4 . 1 1 72 72 GLY H H 72 8.395 8.395 8.649 -0.254 17554 2088 1 4 . 1 1 73 73 LEU N N 73 121.191 121.191 121.439 -0.248 17554 2089 1 4 . 1 1 73 73 LEU HA H 73 4.319 4.319 3.986 0.333 17554 2090 1 4 . 1 1 73 73 LEU CA C 73 55.292 55.292 55.699 -0.407 17554 2091 1 4 . 1 1 73 73 LEU CB C 73 42.355 42.355 40.523 1.833 17554 2092 1 4 . 1 1 73 73 LEU H H 73 8.088 8.088 8.186 -0.098 17554 2093 1 4 . 1 1 74 74 ASP N N 74 120.099 120.099 118.505 1.594 17554 2094 1 4 . 1 1 74 74 ASP HA H 74 4.549 4.549 4.809 -0.260 17554 2095 1 4 . 1 1 74 74 ASP CA C 74 54.451 54.451 53.564 0.887 17554 2096 1 4 . 1 1 74 74 ASP CB C 74 41.071 41.071 42.808 -1.737 17554 2097 1 4 . 1 1 74 74 ASP H H 74 8.312 8.312 8.447 -0.135 17554 2098 1 4 . 1 1 75 75 ASN N N 75 118.544 118.544 119.118 -0.574 17554 2099 1 4 . 1 1 75 75 ASN HA H 75 4.627 4.627 4.717 -0.090 17554 2100 1 4 . 1 1 75 75 ASN CA C 75 53.043 53.043 52.546 0.497 17554 2101 1 4 . 1 1 75 75 ASN CB C 75 38.723 38.723 38.863 -0.140 17554 2102 1 4 . 1 1 75 75 ASN H H 75 8.254 8.254 8.594 -0.340 17554 2103 1 4 . 1 1 76 76 GLN N N 76 121.475 121.475 120.907 0.568 17554 2104 1 4 . 1 1 76 76 GLN HA H 76 4.527 4.527 4.656 -0.129 17554 2105 1 4 . 1 1 76 76 GLN CA C 76 53.613 53.613 53.570 0.043 17554 2106 1 4 . 1 1 76 76 GLN CB C 76 28.697 28.697 29.903 -1.206 17554 2107 1 4 . 1 1 76 76 GLN H H 76 8.228 8.228 7.921 0.307 17554 2108 1 4 . 1 1 77 77 PRO HA H 77 4.566 4.566 4.563 0.003 17554 2109 1 4 . 1 1 77 77 PRO CA C 77 61.219 61.219 61.928 -0.709 17554 2110 1 4 . 1 1 77 77 PRO CB C 77 31.453 31.453 31.187 0.266 17554 2111 1 4 . 1 1 78 78 PRO HA H 78 4.449 4.449 4.419 0.030 17554 2112 1 4 . 1 1 78 78 PRO CA C 78 62.743 62.743 62.988 -0.245 17554 2113 1 4 . 1 1 78 78 PRO CB C 78 32.168 32.168 32.001 0.167 17554 2114 1 4 . 1 1 79 79 GLU N N 79 127.716 127.716 127.259 0.457 17554 2115 1 4 . 1 1 79 79 GLU HA H 79 3.843 3.843 3.855 -0.012 17554 2116 1 4 . 1 1 79 79 GLU CA C 79 59.074 59.074 59.907 -0.833 17554 2117 1 4 . 1 1 79 79 GLU CB C 79 28.921 28.921 28.774 0.147 17554 2118 1 4 . 1 1 79 79 GLU H H 79 9.073 9.073 8.932 0.141 17554 2119 1 4 . 1 1 80 80 GLU N N 80 117.579 117.579 120.050 -2.471 17554 2120 1 4 . 1 1 80 80 GLU HA H 80 4.120 4.120 4.089 0.031 17554 2121 1 4 . 1 1 80 80 GLU CA C 80 59.468 59.468 59.164 0.304 17554 2122 1 4 . 1 1 80 80 GLU CB C 80 28.680 28.680 29.180 -0.500 17554 2123 1 4 . 1 1 80 80 GLU H H 80 9.604 9.604 8.742 0.862 17554 2124 1 4 . 1 1 81 81 ILE N N 81 117.488 117.488 119.805 -2.317 17554 2125 1 4 . 1 1 81 81 ILE HA H 81 4.068 4.068 3.865 0.203 17554 2126 1 4 . 1 1 81 81 ILE CA C 81 63.261 63.261 64.334 -1.073 17554 2127 1 4 . 1 1 81 81 ILE CB C 81 37.248 37.248 38.366 -1.118 17554 2128 1 4 . 1 1 81 81 ILE H H 81 7.172 7.172 7.576 -0.404 17554 2129 1 4 . 1 1 82 82 VAL N N 82 121.739 121.739 118.280 3.459 17554 2130 1 4 . 1 1 82 82 VAL HA H 82 3.143 3.143 3.656 -0.513 17554 2131 1 4 . 1 1 82 82 VAL CA C 82 67.507 67.507 66.561 0.946 17554 2132 1 4 . 1 1 82 82 VAL CB C 82 31.816 31.816 31.241 0.575 17554 2133 1 4 . 1 1 82 82 VAL H H 82 7.591 7.591 8.687 -1.096 17554 2134 1 4 . 1 1 83 83 ALA N N 83 118.311 118.311 123.099 -4.788 17554 2135 1 4 . 1 1 83 83 ALA HA H 83 4.341 4.341 4.012 0.329 17554 2136 1 4 . 1 1 83 83 ALA CA C 83 54.186 54.186 55.122 -0.936 17554 2137 1 4 . 1 1 83 83 ALA CB C 83 18.026 18.026 18.151 -0.125 17554 2138 1 4 . 1 1 83 83 ALA H H 83 8.260 8.260 7.698 0.562 17554 2139 1 4 . 1 1 84 84 ILE N N 84 119.780 119.780 119.905 -0.125 17554 2140 1 4 . 1 1 84 84 ILE HA H 84 3.737 3.737 3.596 0.141 17554 2141 1 4 . 1 1 84 84 ILE CA C 84 65.095 65.095 65.605 -0.510 17554 2142 1 4 . 1 1 84 84 ILE CB C 84 38.070 38.070 37.985 0.085 17554 2143 1 4 . 1 1 84 84 ILE H H 84 7.298 7.298 7.707 -0.409 17554 2144 1 4 . 1 1 85 85 ILE N N 85 119.424 119.424 119.332 0.092 17554 2145 1 4 . 1 1 85 85 ILE HA H 85 3.884 3.884 3.735 0.149 17554 2146 1 4 . 1 1 85 85 ILE CA C 85 66.207 66.207 65.965 0.242 17554 2147 1 4 . 1 1 85 85 ILE CB C 85 38.043 38.043 37.931 0.112 17554 2148 1 4 . 1 1 85 85 ILE H H 85 7.426 7.426 8.643 -1.217 17554 2149 1 4 . 1 1 86 86 THR N N 86 112.538 112.538 114.393 -1.855 17554 2150 1 4 . 1 1 86 86 THR HA H 86 4.669 4.669 4.289 0.380 17554 2151 1 4 . 1 1 86 86 THR CA C 86 64.995 64.995 65.373 -0.378 17554 2152 1 4 . 1 1 86 86 THR CB C 86 68.293 68.293 68.563 -0.270 17554 2153 1 4 . 1 1 86 86 THR H H 86 9.097 9.097 8.200 0.897 17554 2154 1 4 . 1 1 87 87 SER N N 87 120.681 120.681 116.881 3.800 17554 2155 1 4 . 1 1 87 87 SER HA H 87 4.397 4.397 4.264 0.133 17554 2156 1 4 . 1 1 87 87 SER CA C 87 61.715 61.715 61.070 0.645 17554 2157 1 4 . 1 1 87 87 SER CB C 87 62.804 62.804 63.040 -0.236 17554 2158 1 4 . 1 1 87 87 SER H H 87 8.250 8.250 8.147 0.103 17554 2159 1 4 . 1 1 88 88 MET N N 88 119.753 119.753 118.175 1.578 17554 2160 1 4 . 1 1 88 88 MET HA H 88 4.399 4.399 4.275 0.124 17554 2161 1 4 . 1 1 88 88 MET CA C 88 56.596 56.596 56.288 0.309 17554 2162 1 4 . 1 1 88 88 MET CB C 88 33.330 33.330 32.679 0.651 17554 2163 1 4 . 1 1 88 88 MET H H 88 7.550 7.550 7.891 -0.341 17554 2164 1 4 . 1 1 89 89 GLY N N 89 105.282 105.282 103.393 1.889 17554 2165 1 4 . 1 1 89 89 GLY CA C 89 44.767 44.767 44.488 0.279 17554 2166 1 4 . 1 1 89 89 GLY H H 89 7.866 7.866 7.332 0.534 17554 2167 1 4 . 1 1 90 90 PHE N N 90 118.182 118.182 119.760 -1.578 17554 2168 1 4 . 1 1 90 90 PHE HA H 90 4.721 4.721 4.890 -0.169 17554 2169 1 4 . 1 1 90 90 PHE CA C 90 57.670 57.670 56.529 1.141 17554 2170 1 4 . 1 1 90 90 PHE CB C 90 39.706 39.706 40.931 -1.225 17554 2171 1 4 . 1 1 90 90 PHE H H 90 6.675 6.675 7.528 -0.853 17554 2172 1 4 . 1 1 91 91 GLN N N 91 118.581 118.581 118.184 0.397 17554 2173 1 4 . 1 1 91 91 GLN HA H 91 4.356 4.356 4.716 -0.360 17554 2174 1 4 . 1 1 91 91 GLN CA C 91 55.485 55.485 54.149 1.336 17554 2175 1 4 . 1 1 91 91 GLN CB C 91 29.969 29.969 31.790 -1.821 17554 2176 1 4 . 1 1 91 91 GLN H H 91 8.854 8.854 8.448 0.406 17554 2177 1 4 . 1 1 92 92 ARG N N 92 124.037 124.037 127.604 -3.567 17554 2178 1 4 . 1 1 92 92 ARG HA H 92 3.624 3.624 4.089 -0.465 17554 2179 1 4 . 1 1 92 92 ARG CA C 92 60.847 60.847 60.611 0.236 17554 2180 1 4 . 1 1 92 92 ARG CB C 92 29.579 29.579 29.957 -0.378 17554 2181 1 4 . 1 1 92 92 ARG H H 92 9.124 9.124 8.933 0.191 17554 2182 1 4 . 1 1 93 93 ASN N N 93 115.060 115.060 117.490 -2.430 17554 2183 1 4 . 1 1 93 93 ASN HA H 93 4.395 4.395 4.452 -0.057 17554 2184 1 4 . 1 1 93 93 ASN CA C 93 56.562 56.562 56.248 0.314 17554 2185 1 4 . 1 1 93 93 ASN CB C 93 37.059 37.059 37.756 -0.697 17554 2186 1 4 . 1 1 93 93 ASN H H 93 9.117 9.117 8.545 0.572 17554 2187 1 4 . 1 1 94 94 GLN N N 94 119.980 119.980 118.920 1.060 17554 2188 1 4 . 1 1 94 94 GLN HA H 94 3.933 3.933 4.078 -0.145 17554 2189 1 4 . 1 1 94 94 GLN CA C 94 58.775 58.775 59.155 -0.380 17554 2190 1 4 . 1 1 94 94 GLN CB C 94 29.075 29.075 28.421 0.654 17554 2191 1 4 . 1 1 94 94 GLN H H 94 7.033 7.033 8.486 -1.453 17554 2192 1 4 . 1 1 95 95 ALA N N 95 120.823 120.823 123.053 -2.230 17554 2193 1 4 . 1 1 95 95 ALA HA H 95 3.761 3.761 3.985 -0.224 17554 2194 1 4 . 1 1 95 95 ALA CA C 95 55.680 55.680 55.179 0.501 17554 2195 1 4 . 1 1 95 95 ALA CB C 95 19.601 19.601 18.498 1.103 17554 2196 1 4 . 1 1 95 95 ALA H H 95 7.996 7.996 8.436 -0.440 17554 2197 1 4 . 1 1 96 96 ILE N N 96 116.250 116.250 120.086 -3.836 17554 2198 1 4 . 1 1 96 96 ILE HA H 96 3.420 3.420 3.479 -0.059 17554 2199 1 4 . 1 1 96 96 ILE CA C 96 65.611 65.611 66.081 -0.469 17554 2200 1 4 . 1 1 96 96 ILE CB C 96 37.869 37.869 37.871 -0.002 17554 2201 1 4 . 1 1 96 96 ILE H H 96 8.408 8.408 8.433 -0.025 17554 2202 1 4 . 1 1 97 97 GLN N N 97 118.601 118.601 119.094 -0.493 17554 2203 1 4 . 1 1 97 97 GLN HA H 97 3.734 3.734 3.678 0.056 17554 2204 1 4 . 1 1 97 97 GLN CA C 97 59.011 59.011 59.225 -0.214 17554 2205 1 4 . 1 1 97 97 GLN CB C 97 28.425 28.425 28.473 -0.048 17554 2206 1 4 . 1 1 97 97 GLN H H 97 7.767 7.767 8.138 -0.371 17554 2207 1 4 . 1 1 98 98 ALA N N 98 121.375 121.375 122.497 -1.122 17554 2208 1 4 . 1 1 98 98 ALA HA H 98 2.748 2.748 3.029 -0.281 17554 2209 1 4 . 1 1 98 98 ALA CA C 98 54.408 54.408 54.793 -0.385 17554 2210 1 4 . 1 1 98 98 ALA CB C 98 20.084 20.084 18.324 1.760 17554 2211 1 4 . 1 1 98 98 ALA H H 98 7.905 7.905 7.712 0.193 17554 2212 1 4 . 1 1 99 99 LEU N N 99 118.409 118.409 118.876 -0.467 17554 2213 1 4 . 1 1 99 99 LEU HA H 99 3.717 3.717 4.011 -0.294 17554 2214 1 4 . 1 1 99 99 LEU CA C 99 57.529 57.529 57.195 0.334 17554 2215 1 4 . 1 1 99 99 LEU CB C 99 40.714 40.714 41.332 -0.618 17554 2216 1 4 . 1 1 99 99 LEU H H 99 7.938 7.938 8.284 -0.346 17554 2217 1 4 . 1 1 100 100 ARG N N 100 119.771 119.771 119.320 0.451 17554 2218 1 4 . 1 1 100 100 ARG HA H 100 4.107 4.107 3.769 0.338 17554 2219 1 4 . 1 1 100 100 ARG CA C 100 59.182 59.182 59.528 -0.346 17554 2220 1 4 . 1 1 100 100 ARG CB C 100 30.021 30.021 29.790 0.231 17554 2221 1 4 . 1 1 100 100 ARG H H 100 8.248 8.248 8.287 -0.039 17554 2222 1 4 . 1 1 101 101 ALA N N 101 119.288 119.288 119.201 0.087 17554 2223 1 4 . 1 1 101 101 ALA HA H 101 3.983 3.983 4.139 -0.156 17554 2224 1 4 . 1 1 101 101 ALA CA C 101 53.663 53.663 54.169 -0.506 17554 2225 1 4 . 1 1 101 101 ALA CB C 101 17.946 17.946 18.278 -0.332 17554 2226 1 4 . 1 1 101 101 ALA H H 101 7.324 7.324 7.157 0.167 17554 2227 1 4 . 1 1 102 102 THR N N 102 105.233 105.233 108.795 -3.562 17554 2228 1 4 . 1 1 102 102 THR HA H 102 4.429 4.429 4.225 0.204 17554 2229 1 4 . 1 1 102 102 THR CA C 102 60.535 60.535 62.495 -1.960 17554 2230 1 4 . 1 1 102 102 THR CB C 102 71.036 71.036 69.675 1.361 17554 2231 1 4 . 1 1 102 102 THR H H 102 7.113 7.113 7.844 -0.731 17554 2232 1 4 . 1 1 103 103 ASN N N 103 119.293 119.293 119.847 -0.554 17554 2233 1 4 . 1 1 103 103 ASN HA H 103 4.343 4.343 4.349 -0.006 17554 2234 1 4 . 1 1 103 103 ASN CA C 103 54.462 54.462 54.262 0.200 17554 2235 1 4 . 1 1 103 103 ASN CB C 103 36.960 36.960 36.959 0.001 17554 2236 1 4 . 1 1 103 103 ASN H H 103 7.701 7.701 7.848 -0.147 17554 2237 1 4 . 1 1 104 104 ASN N N 104 108.274 108.274 111.295 -3.021 17554 2238 1 4 . 1 1 104 104 ASN HA H 104 3.956 3.956 4.298 -0.342 17554 2239 1 4 . 1 1 104 104 ASN CA C 104 54.757 54.757 54.535 0.222 17554 2240 1 4 . 1 1 104 104 ASN CB C 104 36.151 36.151 37.666 -1.515 17554 2241 1 4 . 1 1 104 104 ASN H H 104 9.048 9.048 8.766 0.282 17554 2242 1 4 . 1 1 105 105 ASN N N 105 118.458 118.458 118.469 -0.011 17554 2243 1 4 . 1 1 105 105 ASN HA H 105 4.728 4.728 4.716 0.012 17554 2244 1 4 . 1 1 105 105 ASN CA C 105 53.081 53.081 52.630 0.451 17554 2245 1 4 . 1 1 105 105 ASN CB C 105 40.405 40.405 39.255 1.150 17554 2246 1 4 . 1 1 105 105 ASN H H 105 7.061 7.061 7.540 -0.479 17554 2247 1 4 . 1 1 106 106 LEU N N 106 128.727 128.727 128.190 0.537 17554 2248 1 4 . 1 1 106 106 LEU HA H 106 3.732 3.732 3.988 -0.256 17554 2249 1 4 . 1 1 106 106 LEU CA C 106 59.307 59.307 59.285 0.022 17554 2250 1 4 . 1 1 106 106 LEU CB C 106 42.071 42.071 42.225 -0.154 17554 2251 1 4 . 1 1 106 106 LEU H H 106 8.718 8.718 8.360 0.358 17554 2252 1 4 . 1 1 107 107 GLU N N 107 117.325 117.325 118.046 -0.721 17554 2253 1 4 . 1 1 107 107 GLU HA H 107 3.890 3.890 3.937 -0.047 17554 2254 1 4 . 1 1 107 107 GLU CA C 107 60.871 60.871 60.245 0.625 17554 2255 1 4 . 1 1 107 107 GLU CB C 107 28.881 28.881 28.570 0.312 17554 2256 1 4 . 1 1 107 107 GLU H H 107 8.390 8.390 8.564 -0.174 17554 2257 1 4 . 1 1 108 108 ARG N N 108 117.912 117.912 119.817 -1.905 17554 2258 1 4 . 1 1 108 108 ARG HA H 108 4.265 4.265 4.120 0.145 17554 2259 1 4 . 1 1 108 108 ARG CA C 108 58.748 58.748 58.637 0.111 17554 2260 1 4 . 1 1 108 108 ARG CB C 108 30.650 30.650 29.950 0.700 17554 2261 1 4 . 1 1 108 108 ARG H H 108 8.410 8.410 7.875 0.535 17554 2262 1 4 . 1 1 109 109 ALA N N 109 127.124 127.124 123.335 3.789 17554 2263 1 4 . 1 1 109 109 ALA HA H 109 3.900 3.900 4.094 -0.194 17554 2264 1 4 . 1 1 109 109 ALA CA C 109 55.518 55.518 55.292 0.226 17554 2265 1 4 . 1 1 109 109 ALA CB C 109 17.772 17.772 18.325 -0.553 17554 2266 1 4 . 1 1 109 109 ALA H H 109 9.083 9.083 8.221 0.862 17554 2267 1 4 . 1 1 110 110 LEU N N 110 118.715 118.715 119.005 -0.290 17554 2268 1 4 . 1 1 110 110 LEU HA H 110 3.777 3.777 3.820 -0.043 17554 2269 1 4 . 1 1 110 110 LEU CA C 110 57.997 57.997 58.154 -0.157 17554 2270 1 4 . 1 1 110 110 LEU CB C 110 40.963 40.963 41.502 -0.538 17554 2271 1 4 . 1 1 110 110 LEU H H 110 8.215 8.215 8.107 0.108 17554 2272 1 4 . 1 1 111 111 ASP N N 111 118.516 118.516 120.026 -1.510 17554 2273 1 4 . 1 1 111 111 ASP HA H 111 4.484 4.484 4.384 0.100 17554 2274 1 4 . 1 1 111 111 ASP CA C 111 57.634 57.634 58.376 -0.742 17554 2275 1 4 . 1 1 111 111 ASP CB C 111 41.026 41.026 40.898 0.128 17554 2276 1 4 . 1 1 111 111 ASP H H 111 7.400 7.400 8.299 -0.899 17554 2277 1 4 . 1 1 112 112 TRP N N 112 122.780 122.780 120.669 2.111 17554 2278 1 4 . 1 1 112 112 TRP HA H 112 4.097 4.097 4.352 -0.255 17554 2279 1 4 . 1 1 112 112 TRP CA C 112 62.365 62.365 61.042 1.323 17554 2280 1 4 . 1 1 112 112 TRP CB C 112 29.490 29.490 29.802 -0.312 17554 2281 1 4 . 1 1 112 112 TRP H H 112 8.525 8.525 8.334 0.191 17554 2282 1 4 . 1 1 113 113 ILE N N 113 122.469 122.469 119.152 3.317 17554 2283 1 4 . 1 1 113 113 ILE HA H 113 3.575 3.575 3.701 -0.126 17554 2284 1 4 . 1 1 113 113 ILE CA C 113 66.239 66.239 64.926 1.313 17554 2285 1 4 . 1 1 113 113 ILE CB C 113 37.688 37.688 37.451 0.237 17554 2286 1 4 . 1 1 113 113 ILE H H 113 8.618 8.618 8.760 -0.142 17554 2287 1 4 . 1 1 114 114 PHE N N 114 118.665 118.665 120.748 -2.083 17554 2288 1 4 . 1 1 114 114 PHE HA H 114 4.386 4.386 4.256 0.130 17554 2289 1 4 . 1 1 114 114 PHE CA C 114 60.111 60.111 60.222 -0.111 17554 2290 1 4 . 1 1 114 114 PHE CB C 114 38.344 38.344 39.039 -0.695 17554 2291 1 4 . 1 1 114 114 PHE H H 114 8.109 8.109 8.287 -0.178 17554 2292 1 4 . 1 1 115 115 SER N N 115 111.172 111.172 112.268 -1.096 17554 2293 1 4 . 1 1 115 115 SER HA H 115 4.333 4.333 4.226 0.107 17554 2294 1 4 . 1 1 115 115 SER CA C 115 58.593 58.593 58.706 -0.113 17554 2295 1 4 . 1 1 115 115 SER CB C 115 64.067 64.067 62.898 1.169 17554 2296 1 4 . 1 1 115 115 SER H H 115 7.723 7.723 7.393 0.330 17554 2297 1 4 . 1 1 116 116 HIS N N 116 119.686 119.686 119.689 -0.003 17554 2298 1 4 . 1 1 116 116 HIS HA H 116 4.749 4.749 4.634 0.115 17554 2299 1 4 . 1 1 116 116 HIS CA C 116 54.476 54.476 53.029 1.446 17554 2300 1 4 . 1 1 116 116 HIS CB C 116 27.310 27.310 29.739 -2.429 17554 2301 1 4 . 1 1 116 116 HIS H H 116 7.407 7.407 7.575 -0.168 17554 2302 1 4 . 1 1 117 117 PRO HA H 117 4.465 4.465 4.188 0.277 17554 2303 1 4 . 1 1 117 117 PRO CA C 117 64.170 64.170 64.706 -0.536 17554 2304 1 4 . 1 1 117 117 PRO CB C 117 31.939 31.939 32.325 -0.386 17554 2305 1 4 . 1 1 118 118 GLU N N 118 119.986 119.986 112.744 7.242 17554 2306 1 4 . 1 1 118 118 GLU HA H 118 4.338 4.338 4.383 -0.045 17554 2307 1 4 . 1 1 118 118 GLU CA C 118 56.440 56.440 56.486 -0.046 17554 2308 1 4 . 1 1 118 118 GLU CB C 118 29.469 29.469 30.300 -0.831 17554 2309 1 4 . 1 1 118 118 GLU H H 118 8.667 8.667 8.177 0.490 17554 2310 1 4 . 1 1 119 119 PHE N N 119 121.581 121.581 121.255 0.326 17554 2311 1 4 . 1 1 119 119 PHE HA H 119 4.632 4.632 4.540 0.092 17554 2312 1 4 . 1 1 119 119 PHE CA C 119 57.981 57.981 57.528 0.453 17554 2313 1 4 . 1 1 119 119 PHE CB C 119 39.805 39.805 39.567 0.238 17554 2314 1 4 . 1 1 119 119 PHE H H 119 8.054 8.054 7.934 0.120 17554 2315 1 4 . 1 1 120 120 GLU N N 120 123.882 123.882 116.617 7.265 17554 2316 1 4 . 1 1 120 120 GLU HA H 120 4.273 4.273 3.771 0.502 17554 2317 1 4 . 1 1 120 120 GLU CA C 120 56.127 56.127 57.290 -1.163 17554 2318 1 4 . 1 1 120 120 GLU CB C 120 30.789 30.789 29.043 1.746 17554 2319 1 4 . 1 1 120 120 GLU H H 120 8.264 8.264 7.871 0.393 17554 2320 1 4 . 1 1 121 121 GLU N N 121 122.504 122.504 120.680 1.824 17554 2321 1 4 . 1 1 121 121 GLU HA H 121 4.213 4.213 4.289 -0.076 17554 2322 1 4 . 1 1 121 121 GLU CA C 121 56.634 56.634 56.059 0.575 17554 2323 1 4 . 1 1 121 121 GLU CB C 121 30.580 30.580 30.118 0.462 17554 2324 1 4 . 1 1 121 121 GLU H H 121 8.398 8.398 8.237 0.161 17554 2325 1 4 . 1 1 122 122 ASP N N 122 121.820 121.820 119.414 2.406 17554 2326 1 4 . 1 1 122 122 ASP HA H 122 4.627 4.627 4.597 0.030 17554 2327 1 4 . 1 1 122 122 ASP CA C 122 54.443 54.443 54.873 -0.430 17554 2328 1 4 . 1 1 122 122 ASP CB C 122 41.237 41.237 40.723 0.514 17554 2329 1 4 . 1 1 122 122 ASP H H 122 8.478 8.478 8.501 -0.023 17554 2330 1 4 . 1 1 123 123 SER N N 123 116.397 116.397 120.870 -4.473 17554 2331 1 4 . 1 1 123 123 SER HA H 123 4.392 4.392 4.571 -0.179 17554 2332 1 4 . 1 1 123 123 SER CA C 123 58.605 58.605 57.670 0.935 17554 2333 1 4 . 1 1 123 123 SER CB C 123 64.064 64.064 64.202 -0.138 17554 2334 1 4 . 1 1 123 123 SER H H 123 8.236 8.236 8.300 -0.064 17554 2335 1 4 . 1 1 124 124 ASP N N 124 122.070 122.070 120.246 1.824 17554 2336 1 4 . 1 1 124 124 ASP HA H 124 4.599 4.599 4.557 0.042 17554 2337 1 4 . 1 1 124 124 ASP CA C 124 54.501 54.501 54.883 -0.383 17554 2338 1 4 . 1 1 124 124 ASP CB C 124 41.106 41.106 40.643 0.463 17554 2339 1 4 . 1 1 124 124 ASP H H 124 8.378 8.378 8.617 -0.239 17554 2340 1 4 . 1 1 125 125 PHE N N 125 120.274 120.274 121.076 -0.802 17554 2341 1 4 . 1 1 125 125 PHE HA H 125 4.623 4.623 4.617 0.006 17554 2342 1 4 . 1 1 125 125 PHE CA C 125 57.913 57.913 58.264 -0.352 17554 2343 1 4 . 1 1 125 125 PHE CB C 125 39.601 39.601 38.051 1.550 17554 2344 1 4 . 1 1 125 125 PHE H H 125 8.049 8.049 7.784 0.265 17554 2345 1 5 . 1 1 2 2 ILE N N 2 117.266 117.266 122.610 -5.344 17554 2346 1 5 . 1 1 2 2 ILE HA H 2 3.919 3.919 4.425 -0.506 17554 2347 1 5 . 1 1 2 2 ILE CA C 2 60.653 60.653 60.297 0.356 17554 2348 1 5 . 1 1 2 2 ILE CB C 2 41.029 41.029 39.611 1.418 17554 2349 1 5 . 1 1 2 2 ILE H H 2 7.746 7.746 7.821 -0.075 17554 2350 1 5 . 1 1 3 3 ASP N N 3 125.895 125.895 128.105 -2.210 17554 2351 1 5 . 1 1 3 3 ASP HA H 3 4.606 4.606 4.512 0.094 17554 2352 1 5 . 1 1 3 3 ASP CA C 3 54.349 54.349 54.290 0.059 17554 2353 1 5 . 1 1 3 3 ASP CB C 3 41.214 41.214 40.922 0.292 17554 2354 1 5 . 1 1 3 3 ASP H H 3 8.328 8.328 8.690 -0.362 17554 2355 1 5 . 1 1 4 4 GLU N N 4 128.620 128.620 125.444 3.176 17554 2356 1 5 . 1 1 4 4 GLU HA H 4 3.948 3.948 4.102 -0.154 17554 2357 1 5 . 1 1 4 4 GLU CA C 4 58.981 58.981 58.331 0.650 17554 2358 1 5 . 1 1 4 4 GLU CB C 4 29.631 29.631 29.544 0.087 17554 2359 1 5 . 1 1 4 4 GLU H H 4 8.991 8.991 8.234 0.757 17554 2360 1 5 . 1 1 5 5 SER N N 5 115.342 115.342 116.320 -0.978 17554 2361 1 5 . 1 1 5 5 SER HA H 5 4.254 4.254 4.158 0.096 17554 2362 1 5 . 1 1 5 5 SER CA C 5 61.961 61.961 62.203 -0.242 17554 2363 1 5 . 1 1 5 5 SER CB C 5 62.222 62.222 62.880 -0.658 17554 2364 1 5 . 1 1 5 5 SER H H 5 8.634 8.634 8.566 0.068 17554 2365 1 5 . 1 1 6 6 SER N N 6 119.418 119.418 117.408 2.010 17554 2366 1 5 . 1 1 6 6 SER HA H 6 4.354 4.354 4.220 0.134 17554 2367 1 5 . 1 1 6 6 SER CA C 6 61.729 61.729 61.662 0.067 17554 2368 1 5 . 1 1 6 6 SER CB C 6 63.366 63.366 62.962 0.404 17554 2369 1 5 . 1 1 6 6 SER H H 6 7.670 7.670 7.958 -0.288 17554 2370 1 5 . 1 1 7 7 VAL N N 7 120.774 120.774 123.576 -2.802 17554 2371 1 5 . 1 1 7 7 VAL HA H 7 3.234 3.234 3.901 -0.667 17554 2372 1 5 . 1 1 7 7 VAL CA C 7 67.151 67.151 65.070 2.081 17554 2373 1 5 . 1 1 7 7 VAL CB C 7 31.792 31.792 31.713 0.079 17554 2374 1 5 . 1 1 7 7 VAL H H 7 7.286 7.286 7.767 -0.481 17554 2375 1 5 . 1 1 8 8 MET N N 8 116.159 116.159 118.584 -2.425 17554 2376 1 5 . 1 1 8 8 MET HA H 8 4.356 4.356 4.029 0.327 17554 2377 1 5 . 1 1 8 8 MET CA C 8 57.482 57.482 59.558 -2.076 17554 2378 1 5 . 1 1 8 8 MET CB C 8 31.341 31.341 32.198 -0.857 17554 2379 1 5 . 1 1 8 8 MET H H 8 8.244 8.244 8.374 -0.130 17554 2380 1 5 . 1 1 9 9 GLN N N 9 119.708 119.708 119.581 0.127 17554 2381 1 5 . 1 1 9 9 GLN HA H 9 4.101 4.101 4.127 -0.026 17554 2382 1 5 . 1 1 9 9 GLN CA C 9 59.331 59.331 58.880 0.451 17554 2383 1 5 . 1 1 9 9 GLN CB C 9 28.880 28.880 28.685 0.195 17554 2384 1 5 . 1 1 9 9 GLN H H 9 7.855 7.855 7.847 0.008 17554 2385 1 5 . 1 1 10 10 LEU N N 10 118.986 118.986 119.467 -0.481 17554 2386 1 5 . 1 1 10 10 LEU HA H 10 4.463 4.463 4.250 0.213 17554 2387 1 5 . 1 1 10 10 LEU CA C 10 57.438 57.438 57.360 0.078 17554 2388 1 5 . 1 1 10 10 LEU CB C 10 42.943 42.943 41.732 1.211 17554 2389 1 5 . 1 1 10 10 LEU H H 10 7.432 7.432 7.738 -0.306 17554 2390 1 5 . 1 1 11 11 ALA N N 11 125.146 125.146 122.062 3.084 17554 2391 1 5 . 1 1 11 11 ALA HA H 11 4.411 4.411 4.587 -0.176 17554 2392 1 5 . 1 1 11 11 ALA CA C 11 55.259 55.259 54.691 0.567 17554 2393 1 5 . 1 1 11 11 ALA CB C 11 17.734 17.734 18.531 -0.797 17554 2394 1 5 . 1 1 11 11 ALA H H 11 8.797 8.797 8.539 0.258 17554 2395 1 5 . 1 1 12 12 GLU N N 12 119.871 119.871 118.136 1.735 17554 2396 1 5 . 1 1 12 12 GLU HA H 12 4.117 4.117 4.159 -0.042 17554 2397 1 5 . 1 1 12 12 GLU CA C 12 58.473 58.473 58.964 -0.491 17554 2398 1 5 . 1 1 12 12 GLU CB C 12 29.531 29.531 29.523 0.007 17554 2399 1 5 . 1 1 12 12 GLU H H 12 8.178 8.178 8.682 -0.504 17554 2400 1 5 . 1 1 13 13 MET N N 13 116.292 116.292 111.851 4.441 17554 2401 1 5 . 1 1 13 13 MET HA H 13 4.296 4.296 4.494 -0.198 17554 2402 1 5 . 1 1 13 13 MET CA C 13 56.797 56.797 55.638 1.159 17554 2403 1 5 . 1 1 13 13 MET CB C 13 33.221 33.221 33.169 0.052 17554 2404 1 5 . 1 1 13 13 MET H H 13 7.619 7.619 7.275 0.344 17554 2405 1 5 . 1 1 14 14 GLY N N 14 104.580 104.580 107.827 -3.247 17554 2406 1 5 . 1 1 14 14 GLY CA C 14 44.860 44.860 44.534 0.326 17554 2407 1 5 . 1 1 14 14 GLY H H 14 7.873 7.873 7.824 0.049 17554 2408 1 5 . 1 1 15 15 PHE N N 15 118.802 118.802 118.937 -0.135 17554 2409 1 5 . 1 1 15 15 PHE HA H 15 5.017 5.017 4.754 0.263 17554 2410 1 5 . 1 1 15 15 PHE CA C 15 56.352 56.352 55.057 1.295 17554 2411 1 5 . 1 1 15 15 PHE CB C 15 39.395 39.395 42.092 -2.697 17554 2412 1 5 . 1 1 15 15 PHE H H 15 6.623 6.623 7.583 -0.961 17554 2413 1 5 . 1 1 16 16 PRO HA H 16 4.530 4.530 4.535 -0.005 17554 2414 1 5 . 1 1 16 16 PRO CA C 16 63.064 63.064 63.295 -0.231 17554 2415 1 5 . 1 1 16 16 PRO CB C 16 32.293 32.293 30.132 2.161 17554 2416 1 5 . 1 1 17 17 LEU N N 17 128.389 128.389 124.213 4.176 17554 2417 1 5 . 1 1 17 17 LEU HA H 17 3.945 3.945 4.622 -0.677 17554 2418 1 5 . 1 1 17 17 LEU CA C 17 59.601 59.601 53.576 6.025 17554 2419 1 5 . 1 1 17 17 LEU CB C 17 42.248 42.248 40.107 2.141 17554 2420 1 5 . 1 1 17 17 LEU H H 17 9.041 9.041 8.217 0.824 17554 2421 1 5 . 1 1 18 18 GLU N N 18 114.837 114.837 123.587 -8.750 17554 2422 1 5 . 1 1 18 18 GLU HA H 18 4.067 4.067 3.892 0.175 17554 2423 1 5 . 1 1 18 18 GLU CA C 18 59.139 59.139 59.531 -0.392 17554 2424 1 5 . 1 1 18 18 GLU CB C 18 28.874 28.874 29.640 -0.766 17554 2425 1 5 . 1 1 18 18 GLU H H 18 9.267 9.267 8.179 1.088 17554 2426 1 5 . 1 1 19 19 ALA N N 19 119.137 119.137 121.387 -2.250 17554 2427 1 5 . 1 1 19 19 ALA HA H 19 3.918 3.918 4.135 -0.217 17554 2428 1 5 . 1 1 19 19 ALA CA C 19 54.872 54.872 55.145 -0.272 17554 2429 1 5 . 1 1 19 19 ALA CB C 19 17.972 17.972 18.011 -0.039 17554 2430 1 5 . 1 1 19 19 ALA H H 19 6.838 6.838 8.580 -1.742 17554 2431 1 5 . 1 1 20 20 CYS N N 20 116.877 116.877 117.970 -1.093 17554 2432 1 5 . 1 1 20 20 CYS HA H 20 3.891 3.891 4.264 -0.373 17554 2433 1 5 . 1 1 20 20 CYS CA C 20 63.356 63.356 61.748 1.608 17554 2434 1 5 . 1 1 20 20 CYS CB C 20 28.018 28.018 26.371 1.647 17554 2435 1 5 . 1 1 20 20 CYS H H 20 7.610 7.610 8.434 -0.824 17554 2436 1 5 . 1 1 21 21 ARG N N 21 117.434 117.434 120.753 -3.319 17554 2437 1 5 . 1 1 21 21 ARG HA H 21 3.696 3.696 3.943 -0.247 17554 2438 1 5 . 1 1 21 21 ARG CA C 21 60.192 60.192 59.988 0.204 17554 2439 1 5 . 1 1 21 21 ARG CB C 21 30.175 30.175 30.005 0.170 17554 2440 1 5 . 1 1 21 21 ARG H H 21 7.965 7.965 7.726 0.239 17554 2441 1 5 . 1 1 22 22 LYS N N 22 117.667 117.667 118.899 -1.232 17554 2442 1 5 . 1 1 22 22 LYS HA H 22 3.412 3.412 4.123 -0.711 17554 2443 1 5 . 1 1 22 22 LYS CA C 22 60.181 60.181 59.172 1.009 17554 2444 1 5 . 1 1 22 22 LYS CB C 22 32.085 32.085 32.307 -0.222 17554 2445 1 5 . 1 1 22 22 LYS H H 22 7.392 7.392 8.245 -0.853 17554 2446 1 5 . 1 1 23 23 ALA N N 23 120.670 120.670 123.263 -2.593 17554 2447 1 5 . 1 1 23 23 ALA HA H 23 3.015 3.015 3.528 -0.513 17554 2448 1 5 . 1 1 23 23 ALA CA C 23 54.845 54.845 54.792 0.053 17554 2449 1 5 . 1 1 23 23 ALA CB C 23 19.900 19.900 17.900 2.000 17554 2450 1 5 . 1 1 23 23 ALA H H 23 8.043 8.043 7.989 0.054 17554 2451 1 5 . 1 1 24 24 VAL N N 24 117.629 117.629 119.580 -1.951 17554 2452 1 5 . 1 1 24 24 VAL HA H 24 3.510 3.510 3.597 -0.087 17554 2453 1 5 . 1 1 24 24 VAL CA C 24 65.665 65.665 66.662 -0.997 17554 2454 1 5 . 1 1 24 24 VAL CB C 24 32.009 32.009 31.678 0.331 17554 2455 1 5 . 1 1 24 24 VAL H H 24 7.381 7.381 8.746 -1.365 17554 2456 1 5 . 1 1 25 25 TYR N N 25 120.392 120.392 121.862 -1.470 17554 2457 1 5 . 1 1 25 25 TYR HA H 25 3.860 3.860 4.070 -0.210 17554 2458 1 5 . 1 1 25 25 TYR CA C 25 62.098 62.098 60.840 1.258 17554 2459 1 5 . 1 1 25 25 TYR CB C 25 38.735 38.735 38.409 0.326 17554 2460 1 5 . 1 1 25 25 TYR H H 25 8.029 8.029 7.743 0.286 17554 2461 1 5 . 1 1 26 26 PHE N N 26 116.460 116.460 118.243 -1.783 17554 2462 1 5 . 1 1 26 26 PHE HA H 26 4.181 4.181 3.834 0.347 17554 2463 1 5 . 1 1 26 26 PHE CA C 26 60.345 60.345 60.221 0.124 17554 2464 1 5 . 1 1 26 26 PHE CB C 26 37.917 37.917 39.052 -1.135 17554 2465 1 5 . 1 1 26 26 PHE H H 26 9.102 9.102 8.140 0.962 17554 2466 1 5 . 1 1 27 27 THR N N 27 106.212 106.212 109.438 -3.226 17554 2467 1 5 . 1 1 27 27 THR HA H 27 4.477 4.477 3.957 0.520 17554 2468 1 5 . 1 1 27 27 THR CA C 27 61.195 61.195 62.663 -1.468 17554 2469 1 5 . 1 1 27 27 THR CB C 27 69.061 69.061 69.088 -0.027 17554 2470 1 5 . 1 1 27 27 THR H H 27 7.050 7.050 7.921 -0.871 17554 2471 1 5 . 1 1 28 28 GLY N N 28 107.275 107.275 109.907 -2.632 17554 2472 1 5 . 1 1 28 28 GLY CA C 28 46.575 46.575 45.029 1.546 17554 2473 1 5 . 1 1 28 28 GLY H H 28 7.278 7.278 7.302 -0.024 17554 2474 1 5 . 1 1 29 29 ASN N N 29 118.189 118.189 116.184 2.005 17554 2475 1 5 . 1 1 29 29 ASN HA H 29 4.342 4.342 4.264 0.078 17554 2476 1 5 . 1 1 29 29 ASN CA C 29 53.614 53.614 53.917 -0.303 17554 2477 1 5 . 1 1 29 29 ASN CB C 29 37.302 37.302 37.444 -0.142 17554 2478 1 5 . 1 1 29 29 ASN H H 29 8.704 8.704 8.480 0.224 17554 2479 1 5 . 1 1 30 30 MET N N 30 119.241 119.241 119.055 0.186 17554 2480 1 5 . 1 1 30 30 MET HA H 30 4.791 4.791 4.586 0.205 17554 2481 1 5 . 1 1 30 30 MET CA C 30 53.943 53.943 53.419 0.524 17554 2482 1 5 . 1 1 30 30 MET CB C 30 33.263 33.263 31.306 1.957 17554 2483 1 5 . 1 1 30 30 MET H H 30 8.921 8.921 7.898 1.023 17554 2484 1 5 . 1 1 31 31 GLY N N 31 109.623 109.623 107.332 2.291 17554 2485 1 5 . 1 1 31 31 GLY CA C 31 44.151 44.151 44.615 -0.464 17554 2486 1 5 . 1 1 31 31 GLY H H 31 8.349 8.349 7.462 0.887 17554 2487 1 5 . 1 1 32 32 ALA N N 32 121.096 121.096 122.775 -1.679 17554 2488 1 5 . 1 1 32 32 ALA HA H 32 3.980 3.980 4.119 -0.139 17554 2489 1 5 . 1 1 32 32 ALA CA C 32 55.192 55.192 54.548 0.644 17554 2490 1 5 . 1 1 32 32 ALA CB C 32 19.058 19.058 19.108 -0.050 17554 2491 1 5 . 1 1 32 32 ALA H H 32 8.899 8.899 8.583 0.316 17554 2492 1 5 . 1 1 33 33 GLU N N 33 119.428 119.428 118.716 0.712 17554 2493 1 5 . 1 1 33 33 GLU HA H 33 4.095 4.095 4.033 0.062 17554 2494 1 5 . 1 1 33 33 GLU CA C 33 60.864 60.864 59.310 1.554 17554 2495 1 5 . 1 1 33 33 GLU CB C 33 28.661 28.661 28.848 -0.187 17554 2496 1 5 . 1 1 33 33 GLU H H 33 8.705 8.705 8.623 0.082 17554 2497 1 5 . 1 1 34 34 VAL N N 34 117.216 117.216 119.618 -2.402 17554 2498 1 5 . 1 1 34 34 VAL HA H 34 4.062 4.062 3.853 0.209 17554 2499 1 5 . 1 1 34 34 VAL CA C 34 65.178 65.178 66.197 -1.019 17554 2500 1 5 . 1 1 34 34 VAL CB C 34 31.684 31.684 31.355 0.329 17554 2501 1 5 . 1 1 34 34 VAL H H 34 8.178 8.178 7.763 0.415 17554 2502 1 5 . 1 1 35 35 ALA N N 35 123.635 123.635 122.850 0.785 17554 2503 1 5 . 1 1 35 35 ALA HA H 35 4.289 4.289 4.301 -0.012 17554 2504 1 5 . 1 1 35 35 ALA CA C 35 54.787 54.787 55.034 -0.247 17554 2505 1 5 . 1 1 35 35 ALA CB C 35 19.794 19.794 18.267 1.527 17554 2506 1 5 . 1 1 35 35 ALA H H 35 7.178 7.178 7.681 -0.503 17554 2507 1 5 . 1 1 36 36 PHE N N 36 120.976 120.976 119.915 1.061 17554 2508 1 5 . 1 1 36 36 PHE HA H 36 4.079 4.079 4.102 -0.023 17554 2509 1 5 . 1 1 36 36 PHE CA C 36 61.339 61.339 61.911 -0.572 17554 2510 1 5 . 1 1 36 36 PHE CB C 36 38.952 38.952 39.330 -0.378 17554 2511 1 5 . 1 1 36 36 PHE H H 36 8.832 8.832 8.908 -0.076 17554 2512 1 5 . 1 1 37 37 ASN N N 37 114.823 114.823 117.738 -2.915 17554 2513 1 5 . 1 1 37 37 ASN HA H 37 4.318 4.318 4.299 0.019 17554 2514 1 5 . 1 1 37 37 ASN CA C 37 56.379 56.379 56.951 -0.572 17554 2515 1 5 . 1 1 37 37 ASN CB C 37 38.288 38.288 38.467 -0.179 17554 2516 1 5 . 1 1 37 37 ASN H H 37 7.591 7.591 8.122 -0.531 17554 2517 1 5 . 1 1 38 38 TRP N N 38 119.984 119.984 122.520 -2.536 17554 2518 1 5 . 1 1 38 38 TRP HA H 38 4.191 4.191 4.371 -0.180 17554 2519 1 5 . 1 1 38 38 TRP CA C 38 62.279 62.279 61.454 0.825 17554 2520 1 5 . 1 1 38 38 TRP CB C 38 30.545 30.545 29.671 0.874 17554 2521 1 5 . 1 1 38 38 TRP H H 38 7.630 7.630 8.372 -0.742 17554 2522 1 5 . 1 1 39 39 ILE N N 39 121.183 121.183 120.981 0.202 17554 2523 1 5 . 1 1 39 39 ILE HA H 39 3.647 3.647 3.897 -0.250 17554 2524 1 5 . 1 1 39 39 ILE CA C 39 65.651 65.651 63.300 2.351 17554 2525 1 5 . 1 1 39 39 ILE CB C 39 36.375 36.375 38.334 -1.959 17554 2526 1 5 . 1 1 39 39 ILE H H 39 8.017 8.017 8.492 -0.475 17554 2527 1 5 . 1 1 40 40 ILE N N 40 115.084 115.084 115.724 -0.640 17554 2528 1 5 . 1 1 40 40 ILE HA H 40 3.665 3.665 3.792 -0.127 17554 2529 1 5 . 1 1 40 40 ILE CA C 40 63.224 63.224 63.472 -0.249 17554 2530 1 5 . 1 1 40 40 ILE CB C 40 36.681 36.681 37.041 -0.360 17554 2531 1 5 . 1 1 40 40 ILE H H 40 7.474 7.474 7.426 0.048 17554 2532 1 5 . 1 1 41 41 VAL N N 41 116.045 116.045 118.150 -2.105 17554 2533 1 5 . 1 1 41 41 VAL HA H 41 3.661 3.661 3.633 0.028 17554 2534 1 5 . 1 1 41 41 VAL CA C 41 64.452 64.452 65.424 -0.972 17554 2535 1 5 . 1 1 41 41 VAL CB C 41 32.156 32.156 31.371 0.785 17554 2536 1 5 . 1 1 41 41 VAL H H 41 7.054 7.054 7.415 -0.361 17554 2537 1 5 . 1 1 42 42 HIS N N 42 115.595 115.595 117.621 -2.026 17554 2538 1 5 . 1 1 42 42 HIS HA H 42 4.098 4.098 4.467 -0.369 17554 2539 1 5 . 1 1 42 42 HIS CA C 42 57.365 57.365 55.877 1.488 17554 2540 1 5 . 1 1 42 42 HIS CB C 42 28.251 28.251 29.702 -1.451 17554 2541 1 5 . 1 1 42 42 HIS H H 42 7.353 7.353 7.643 -0.290 17554 2542 1 5 . 1 1 43 43 MET N N 43 117.495 117.495 117.848 -0.353 17554 2543 1 5 . 1 1 43 43 MET HA H 43 2.064 2.064 4.307 -2.243 17554 2544 1 5 . 1 1 43 43 MET CA C 43 57.980 57.980 58.191 -0.212 17554 2545 1 5 . 1 1 43 43 MET CB C 43 32.258 32.258 32.210 0.048 17554 2546 1 5 . 1 1 43 43 MET H H 43 7.373 7.373 7.619 -0.246 17554 2547 1 5 . 1 1 44 44 GLU N N 44 116.844 116.844 117.006 -0.162 17554 2548 1 5 . 1 1 44 44 GLU HA H 44 4.346 4.346 4.076 0.270 17554 2549 1 5 . 1 1 44 44 GLU CA C 44 55.838 55.838 56.544 -0.705 17554 2550 1 5 . 1 1 44 44 GLU CB C 44 29.351 29.351 28.666 0.685 17554 2551 1 5 . 1 1 44 44 GLU H H 44 8.102 8.102 7.971 0.131 17554 2552 1 5 . 1 1 45 45 GLU N N 45 121.925 121.925 121.494 0.431 17554 2553 1 5 . 1 1 45 45 GLU HA H 45 4.426 4.426 4.503 -0.077 17554 2554 1 5 . 1 1 45 45 GLU CA C 45 55.141 55.141 53.174 1.967 17554 2555 1 5 . 1 1 45 45 GLU CB C 45 28.513 28.513 28.756 -0.243 17554 2556 1 5 . 1 1 45 45 GLU H H 45 7.853 7.853 7.241 0.612 17554 2557 1 5 . 1 1 46 46 PRO HA H 46 4.440 4.440 4.294 0.146 17554 2558 1 5 . 1 1 46 46 PRO CA C 46 65.070 65.070 65.436 -0.366 17554 2559 1 5 . 1 1 46 46 PRO CB C 46 31.850 31.850 32.240 -0.390 17554 2560 1 5 . 1 1 47 47 ASP N N 47 115.051 115.051 114.694 0.357 17554 2561 1 5 . 1 1 47 47 ASP HA H 47 4.686 4.686 4.699 -0.013 17554 2562 1 5 . 1 1 47 47 ASP CA C 47 52.841 52.841 52.922 -0.081 17554 2563 1 5 . 1 1 47 47 ASP CB C 47 39.711 39.711 40.778 -1.067 17554 2564 1 5 . 1 1 47 47 ASP H H 47 8.437 8.437 8.551 -0.114 17554 2565 1 5 . 1 1 48 48 PHE N N 48 122.693 122.693 119.290 3.403 17554 2566 1 5 . 1 1 48 48 PHE HA H 48 4.522 4.522 4.403 0.119 17554 2567 1 5 . 1 1 48 48 PHE CA C 48 60.887 60.887 59.050 1.837 17554 2568 1 5 . 1 1 48 48 PHE CB C 48 40.495 40.495 39.120 1.375 17554 2569 1 5 . 1 1 48 48 PHE H H 48 7.695 7.695 7.581 0.114 17554 2570 1 5 . 1 1 49 49 ALA N N 49 117.185 117.185 122.279 -5.094 17554 2571 1 5 . 1 1 49 49 ALA HA H 49 4.099 4.099 4.372 -0.273 17554 2572 1 5 . 1 1 49 49 ALA CA C 49 51.211 51.211 53.476 -2.265 17554 2573 1 5 . 1 1 49 49 ALA CB C 49 19.067 19.067 19.510 -0.443 17554 2574 1 5 . 1 1 49 49 ALA H H 49 8.643 8.643 7.974 0.669 17554 2575 1 5 . 1 1 50 50 GLU N N 50 119.707 119.707 116.524 3.183 17554 2576 1 5 . 1 1 50 50 GLU HA H 50 4.412 4.412 4.714 -0.302 17554 2577 1 5 . 1 1 50 50 GLU CA C 50 54.755 54.755 53.127 1.628 17554 2578 1 5 . 1 1 50 50 GLU CB C 50 29.274 29.274 32.609 -3.335 17554 2579 1 5 . 1 1 50 50 GLU H H 50 7.412 7.412 8.240 -0.828 17554 2580 1 5 . 1 1 51 51 PRO HA H 51 4.315 4.315 4.425 -0.110 17554 2581 1 5 . 1 1 51 51 PRO CA C 51 62.863 62.863 63.002 -0.139 17554 2582 1 5 . 1 1 51 51 PRO CB C 51 32.408 32.408 32.025 0.383 17554 2583 1 5 . 1 1 52 52 LEU N N 52 123.507 123.507 126.569 -3.062 17554 2584 1 5 . 1 1 52 52 LEU HA H 52 4.210 4.210 4.159 0.051 17554 2585 1 5 . 1 1 52 52 LEU CA C 52 55.217 55.217 56.451 -1.234 17554 2586 1 5 . 1 1 52 52 LEU CB C 52 42.918 42.918 39.713 3.205 17554 2587 1 5 . 1 1 52 52 LEU H H 52 8.475 8.475 9.023 -0.548 17554 2588 1 5 . 1 1 53 53 THR N N 53 119.005 119.005 119.651 -0.646 17554 2589 1 5 . 1 1 53 53 THR HA H 53 4.292 4.292 4.594 -0.302 17554 2590 1 5 . 1 1 53 53 THR CA C 53 61.478 61.478 61.057 0.421 17554 2591 1 5 . 1 1 53 53 THR CB C 53 69.752 69.752 69.406 0.346 17554 2592 1 5 . 1 1 53 53 THR H H 53 8.371 8.371 7.979 0.392 17554 2593 1 5 . 1 1 54 54 MET N N 54 124.439 124.439 121.042 3.397 17554 2594 1 5 . 1 1 54 54 MET HA H 54 4.651 4.651 4.798 -0.147 17554 2595 1 5 . 1 1 54 54 MET CA C 54 53.235 53.235 54.375 -1.140 17554 2596 1 5 . 1 1 54 54 MET CB C 54 32.605 32.605 32.118 0.486 17554 2597 1 5 . 1 1 54 54 MET H H 54 8.264 8.264 7.884 0.380 17554 2598 1 5 . 1 1 55 55 PRO HA H 55 4.368 4.368 4.641 -0.273 17554 2599 1 5 . 1 1 55 55 PRO CA C 55 63.668 63.668 62.690 0.978 17554 2600 1 5 . 1 1 55 55 PRO CB C 55 32.038 32.038 31.947 0.091 17554 2601 1 5 . 1 1 56 56 GLY N N 56 109.663 109.663 107.917 1.746 17554 2602 1 5 . 1 1 56 56 GLY CA C 56 45.314 45.314 44.887 0.427 17554 2603 1 5 . 1 1 56 56 GLY H H 56 8.461 8.461 7.268 1.193 17554 2604 1 5 . 1 1 57 57 TYR N N 57 120.317 120.317 123.505 -3.188 17554 2605 1 5 . 1 1 57 57 TYR HA H 57 4.528 4.528 4.759 -0.231 17554 2606 1 5 . 1 1 57 57 TYR CA C 57 58.132 58.132 56.664 1.468 17554 2607 1 5 . 1 1 57 57 TYR CB C 57 38.958 38.958 38.961 -0.003 17554 2608 1 5 . 1 1 57 57 TYR H H 57 8.033 8.033 8.424 -0.391 17554 2609 1 5 . 1 1 58 58 GLY N N 58 111.694 111.694 109.877 1.817 17554 2610 1 5 . 1 1 58 58 GLY CA C 58 45.489 45.489 44.778 0.711 17554 2611 1 5 . 1 1 58 58 GLY H H 58 8.423 8.423 7.801 0.622 17554 2612 1 5 . 1 1 59 59 GLY N N 59 108.403 108.403 109.689 -1.286 17554 2613 1 5 . 1 1 59 59 GLY CA C 59 45.210 45.210 44.509 0.701 17554 2614 1 5 . 1 1 59 59 GLY H H 59 7.871 7.871 7.948 -0.077 17554 2615 1 5 . 1 1 60 60 ALA N N 60 123.835 123.835 123.024 0.811 17554 2616 1 5 . 1 1 60 60 ALA HA H 60 4.294 4.294 4.101 0.193 17554 2617 1 5 . 1 1 60 60 ALA CA C 60 52.710 52.710 52.226 0.484 17554 2618 1 5 . 1 1 60 60 ALA CB C 60 19.353 19.353 18.894 0.459 17554 2619 1 5 . 1 1 60 60 ALA H H 60 8.207 8.207 8.095 0.112 17554 2620 1 5 . 1 1 61 61 ALA N N 61 123.032 123.032 122.368 0.664 17554 2621 1 5 . 1 1 61 61 ALA HA H 61 4.316 4.316 4.463 -0.147 17554 2622 1 5 . 1 1 61 61 ALA CA C 61 52.751 52.751 51.505 1.246 17554 2623 1 5 . 1 1 61 61 ALA CB C 61 19.096 19.096 20.379 -1.283 17554 2624 1 5 . 1 1 61 61 ALA H H 61 8.331 8.331 8.085 0.246 17554 2625 1 5 . 1 1 62 62 SER N N 62 114.625 114.625 117.459 -2.834 17554 2626 1 5 . 1 1 62 62 SER HA H 62 4.406 4.406 4.598 -0.192 17554 2627 1 5 . 1 1 62 62 SER CA C 62 58.283 58.283 58.090 0.193 17554 2628 1 5 . 1 1 62 62 SER CB C 62 63.858 63.858 63.236 0.622 17554 2629 1 5 . 1 1 62 62 SER H H 62 8.158 8.158 8.284 -0.126 17554 2630 1 5 . 1 1 63 63 ALA N N 63 125.890 125.890 128.347 -2.457 17554 2631 1 5 . 1 1 63 63 ALA HA H 63 4.314 4.314 4.445 -0.131 17554 2632 1 5 . 1 1 63 63 ALA CA C 63 52.926 52.926 51.800 1.126 17554 2633 1 5 . 1 1 63 63 ALA CB C 63 19.216 19.216 19.809 -0.593 17554 2634 1 5 . 1 1 63 63 ALA H H 63 8.294 8.294 8.471 -0.177 17554 2635 1 5 . 1 1 64 64 GLY N N 64 107.980 107.980 108.323 -0.343 17554 2636 1 5 . 1 1 64 64 GLY CA C 64 45.324 45.324 45.541 -0.217 17554 2637 1 5 . 1 1 64 64 GLY H H 64 8.321 8.321 8.280 0.041 17554 2638 1 5 . 1 1 65 65 ALA N N 65 123.524 123.524 125.111 -1.587 17554 2639 1 5 . 1 1 65 65 ALA HA H 65 4.330 4.330 4.537 -0.207 17554 2640 1 5 . 1 1 65 65 ALA CA C 65 52.589 52.589 51.104 1.485 17554 2641 1 5 . 1 1 65 65 ALA CB C 65 19.438 19.438 20.135 -0.697 17554 2642 1 5 . 1 1 65 65 ALA H H 65 8.088 8.088 8.143 -0.055 17554 2643 1 5 . 1 1 66 66 SER N N 66 115.072 115.072 116.960 -1.888 17554 2644 1 5 . 1 1 66 66 SER HA H 66 4.442 4.442 4.372 0.070 17554 2645 1 5 . 1 1 66 66 SER CA C 66 58.334 58.334 58.669 -0.335 17554 2646 1 5 . 1 1 66 66 SER CB C 66 63.804 63.804 63.178 0.626 17554 2647 1 5 . 1 1 66 66 SER H H 66 8.297 8.297 8.314 -0.017 17554 2648 1 5 . 1 1 67 67 VAL N N 67 121.228 121.228 123.864 -2.636 17554 2649 1 5 . 1 1 67 67 VAL HA H 67 4.075 4.075 4.334 -0.259 17554 2650 1 5 . 1 1 67 67 VAL CA C 67 62.417 62.417 61.415 1.002 17554 2651 1 5 . 1 1 67 67 VAL CB C 67 32.611 32.611 30.633 1.978 17554 2652 1 5 . 1 1 67 67 VAL H H 67 8.007 8.007 8.555 -0.548 17554 2653 1 5 . 1 1 68 68 PHE N N 68 123.068 123.068 120.262 2.806 17554 2654 1 5 . 1 1 68 68 PHE HA H 68 4.618 4.618 4.222 0.396 17554 2655 1 5 . 1 1 68 68 PHE CA C 68 57.981 57.981 58.820 -0.839 17554 2656 1 5 . 1 1 68 68 PHE CB C 68 39.618 39.618 39.134 0.484 17554 2657 1 5 . 1 1 68 68 PHE H H 68 8.255 8.255 7.576 0.679 17554 2658 1 5 . 1 1 69 69 GLY N N 69 110.709 110.709 110.654 0.055 17554 2659 1 5 . 1 1 69 69 GLY CA C 69 45.339 45.339 44.379 0.960 17554 2660 1 5 . 1 1 69 69 GLY H H 69 8.234 8.234 7.486 0.748 17554 2661 1 5 . 1 1 70 70 ALA N N 70 123.857 123.857 121.955 1.902 17554 2662 1 5 . 1 1 70 70 ALA HA H 70 4.348 4.348 4.432 -0.084 17554 2663 1 5 . 1 1 70 70 ALA CA C 70 52.626 52.626 51.777 0.849 17554 2664 1 5 . 1 1 70 70 ALA CB C 70 19.386 19.386 19.339 0.047 17554 2665 1 5 . 1 1 70 70 ALA H H 70 8.140 8.140 8.137 0.003 17554 2666 1 5 . 1 1 71 71 SER N N 71 115.019 115.019 122.424 -7.405 17554 2667 1 5 . 1 1 71 71 SER HA H 71 4.441 4.441 4.317 0.124 17554 2668 1 5 . 1 1 71 71 SER CA C 71 58.592 58.592 57.715 0.877 17554 2669 1 5 . 1 1 71 71 SER CB C 71 63.975 63.975 62.257 1.718 17554 2670 1 5 . 1 1 71 71 SER H H 71 8.379 8.379 8.779 -0.400 17554 2671 1 5 . 1 1 72 72 GLY N N 72 110.640 110.640 109.957 0.683 17554 2672 1 5 . 1 1 72 72 GLY CA C 72 45.546 45.546 45.147 0.399 17554 2673 1 5 . 1 1 72 72 GLY H H 72 8.395 8.395 7.747 0.648 17554 2674 1 5 . 1 1 73 73 LEU N N 73 121.191 121.191 121.604 -0.413 17554 2675 1 5 . 1 1 73 73 LEU HA H 73 4.319 4.319 4.407 -0.088 17554 2676 1 5 . 1 1 73 73 LEU CA C 73 55.292 55.292 54.709 0.583 17554 2677 1 5 . 1 1 73 73 LEU CB C 73 42.355 42.355 41.949 0.406 17554 2678 1 5 . 1 1 73 73 LEU H H 73 8.088 8.088 8.155 -0.067 17554 2679 1 5 . 1 1 74 74 ASP N N 74 120.099 120.099 121.819 -1.720 17554 2680 1 5 . 1 1 74 74 ASP HA H 74 4.549 4.549 4.723 -0.174 17554 2681 1 5 . 1 1 74 74 ASP CA C 74 54.451 54.451 54.646 -0.195 17554 2682 1 5 . 1 1 74 74 ASP CB C 74 41.071 41.071 41.049 0.022 17554 2683 1 5 . 1 1 74 74 ASP H H 74 8.312 8.312 7.992 0.320 17554 2684 1 5 . 1 1 75 75 ASN N N 75 118.544 118.544 121.870 -3.326 17554 2685 1 5 . 1 1 75 75 ASN HA H 75 4.627 4.627 4.690 -0.063 17554 2686 1 5 . 1 1 75 75 ASN CA C 75 53.043 53.043 52.740 0.303 17554 2687 1 5 . 1 1 75 75 ASN CB C 75 38.723 38.723 39.263 -0.540 17554 2688 1 5 . 1 1 75 75 ASN H H 75 8.254 8.254 8.477 -0.223 17554 2689 1 5 . 1 1 76 76 GLN N N 76 121.475 121.475 120.206 1.269 17554 2690 1 5 . 1 1 76 76 GLN HA H 76 4.527 4.527 4.750 -0.223 17554 2691 1 5 . 1 1 76 76 GLN CA C 76 53.613 53.613 52.819 0.794 17554 2692 1 5 . 1 1 76 76 GLN CB C 76 28.697 28.697 30.423 -1.726 17554 2693 1 5 . 1 1 76 76 GLN H H 76 8.228 8.228 7.899 0.329 17554 2694 1 5 . 1 1 77 77 PRO HA H 77 4.566 4.566 4.457 0.109 17554 2695 1 5 . 1 1 77 77 PRO CA C 77 61.219 61.219 62.006 -0.787 17554 2696 1 5 . 1 1 77 77 PRO CB C 77 31.453 31.453 31.273 0.180 17554 2697 1 5 . 1 1 78 78 PRO HA H 78 4.449 4.449 4.433 0.016 17554 2698 1 5 . 1 1 78 78 PRO CA C 78 62.743 62.743 63.031 -0.288 17554 2699 1 5 . 1 1 78 78 PRO CB C 78 32.168 32.168 31.891 0.277 17554 2700 1 5 . 1 1 79 79 GLU N N 79 127.716 127.716 126.352 1.364 17554 2701 1 5 . 1 1 79 79 GLU HA H 79 3.843 3.843 3.816 0.027 17554 2702 1 5 . 1 1 79 79 GLU CA C 79 59.074 59.074 59.814 -0.740 17554 2703 1 5 . 1 1 79 79 GLU CB C 79 28.921 28.921 28.896 0.025 17554 2704 1 5 . 1 1 79 79 GLU H H 79 9.073 9.073 8.868 0.205 17554 2705 1 5 . 1 1 80 80 GLU N N 80 117.579 117.579 120.339 -2.760 17554 2706 1 5 . 1 1 80 80 GLU HA H 80 4.120 4.120 4.103 0.017 17554 2707 1 5 . 1 1 80 80 GLU CA C 80 59.468 59.468 59.166 0.301 17554 2708 1 5 . 1 1 80 80 GLU CB C 80 28.680 28.680 29.159 -0.478 17554 2709 1 5 . 1 1 80 80 GLU H H 80 9.604 9.604 8.762 0.842 17554 2710 1 5 . 1 1 81 81 ILE N N 81 117.488 117.488 119.664 -2.176 17554 2711 1 5 . 1 1 81 81 ILE HA H 81 4.068 4.068 3.872 0.196 17554 2712 1 5 . 1 1 81 81 ILE CA C 81 63.261 63.261 64.334 -1.073 17554 2713 1 5 . 1 1 81 81 ILE CB C 81 37.248 37.248 38.389 -1.141 17554 2714 1 5 . 1 1 81 81 ILE H H 81 7.172 7.172 7.597 -0.425 17554 2715 1 5 . 1 1 82 82 VAL N N 82 121.739 121.739 118.569 3.170 17554 2716 1 5 . 1 1 82 82 VAL HA H 82 3.143 3.143 3.657 -0.514 17554 2717 1 5 . 1 1 82 82 VAL CA C 82 67.507 67.507 66.575 0.932 17554 2718 1 5 . 1 1 82 82 VAL CB C 82 31.816 31.816 31.269 0.547 17554 2719 1 5 . 1 1 82 82 VAL H H 82 7.591 7.591 8.619 -1.028 17554 2720 1 5 . 1 1 83 83 ALA N N 83 118.311 118.311 123.059 -4.748 17554 2721 1 5 . 1 1 83 83 ALA HA H 83 4.341 4.341 4.018 0.323 17554 2722 1 5 . 1 1 83 83 ALA CA C 83 54.186 54.186 55.144 -0.958 17554 2723 1 5 . 1 1 83 83 ALA CB C 83 18.026 18.026 18.199 -0.173 17554 2724 1 5 . 1 1 83 83 ALA H H 83 8.260 8.260 7.810 0.450 17554 2725 1 5 . 1 1 84 84 ILE N N 84 119.780 119.780 119.693 0.087 17554 2726 1 5 . 1 1 84 84 ILE HA H 84 3.737 3.737 3.597 0.140 17554 2727 1 5 . 1 1 84 84 ILE CA C 84 65.095 65.095 65.579 -0.484 17554 2728 1 5 . 1 1 84 84 ILE CB C 84 38.070 38.070 37.995 0.075 17554 2729 1 5 . 1 1 84 84 ILE H H 84 7.298 7.298 7.718 -0.420 17554 2730 1 5 . 1 1 85 85 ILE N N 85 119.424 119.424 119.155 0.269 17554 2731 1 5 . 1 1 85 85 ILE HA H 85 3.884 3.884 3.753 0.131 17554 2732 1 5 . 1 1 85 85 ILE CA C 85 66.207 66.207 65.928 0.279 17554 2733 1 5 . 1 1 85 85 ILE CB C 85 38.043 38.043 37.948 0.095 17554 2734 1 5 . 1 1 85 85 ILE H H 85 7.426 7.426 8.619 -1.193 17554 2735 1 5 . 1 1 86 86 THR N N 86 112.538 112.538 114.196 -1.658 17554 2736 1 5 . 1 1 86 86 THR HA H 86 4.669 4.669 4.335 0.334 17554 2737 1 5 . 1 1 86 86 THR CA C 86 64.995 64.995 65.188 -0.193 17554 2738 1 5 . 1 1 86 86 THR CB C 86 68.293 68.293 68.528 -0.235 17554 2739 1 5 . 1 1 86 86 THR H H 86 9.097 9.097 8.219 0.878 17554 2740 1 5 . 1 1 87 87 SER N N 87 120.681 120.681 116.985 3.696 17554 2741 1 5 . 1 1 87 87 SER HA H 87 4.397 4.397 4.301 0.096 17554 2742 1 5 . 1 1 87 87 SER CA C 87 61.715 61.715 60.834 0.881 17554 2743 1 5 . 1 1 87 87 SER CB C 87 62.804 62.804 62.968 -0.164 17554 2744 1 5 . 1 1 87 87 SER H H 87 8.250 8.250 8.240 0.010 17554 2745 1 5 . 1 1 88 88 MET N N 88 119.753 119.753 118.297 1.456 17554 2746 1 5 . 1 1 88 88 MET HA H 88 4.399 4.399 4.315 0.084 17554 2747 1 5 . 1 1 88 88 MET CA C 88 56.596 56.596 55.815 0.781 17554 2748 1 5 . 1 1 88 88 MET CB C 88 33.330 33.330 32.663 0.667 17554 2749 1 5 . 1 1 88 88 MET H H 88 7.550 7.550 7.785 -0.235 17554 2750 1 5 . 1 1 89 89 GLY N N 89 105.282 105.282 103.487 1.795 17554 2751 1 5 . 1 1 89 89 GLY CA C 89 44.767 44.767 44.627 0.140 17554 2752 1 5 . 1 1 89 89 GLY H H 89 7.866 7.866 7.496 0.370 17554 2753 1 5 . 1 1 90 90 PHE N N 90 118.182 118.182 120.619 -2.437 17554 2754 1 5 . 1 1 90 90 PHE HA H 90 4.721 4.721 4.916 -0.195 17554 2755 1 5 . 1 1 90 90 PHE CA C 90 57.670 57.670 56.302 1.368 17554 2756 1 5 . 1 1 90 90 PHE CB C 90 39.706 39.706 40.224 -0.518 17554 2757 1 5 . 1 1 90 90 PHE H H 90 6.675 6.675 7.638 -0.963 17554 2758 1 5 . 1 1 91 91 GLN N N 91 118.581 118.581 117.752 0.829 17554 2759 1 5 . 1 1 91 91 GLN HA H 91 4.356 4.356 4.679 -0.323 17554 2760 1 5 . 1 1 91 91 GLN CA C 91 55.485 55.485 54.236 1.249 17554 2761 1 5 . 1 1 91 91 GLN CB C 91 29.969 29.969 31.701 -1.732 17554 2762 1 5 . 1 1 91 91 GLN H H 91 8.854 8.854 8.558 0.296 17554 2763 1 5 . 1 1 92 92 ARG N N 92 124.037 124.037 127.125 -3.088 17554 2764 1 5 . 1 1 92 92 ARG HA H 92 3.624 3.624 4.096 -0.472 17554 2765 1 5 . 1 1 92 92 ARG CA C 92 60.847 60.847 60.571 0.276 17554 2766 1 5 . 1 1 92 92 ARG CB C 92 29.579 29.579 29.902 -0.323 17554 2767 1 5 . 1 1 92 92 ARG H H 92 9.124 9.124 8.895 0.229 17554 2768 1 5 . 1 1 93 93 ASN N N 93 115.060 115.060 117.712 -2.652 17554 2769 1 5 . 1 1 93 93 ASN HA H 93 4.395 4.395 4.492 -0.097 17554 2770 1 5 . 1 1 93 93 ASN CA C 93 56.562 56.562 56.138 0.424 17554 2771 1 5 . 1 1 93 93 ASN CB C 93 37.059 37.059 37.584 -0.525 17554 2772 1 5 . 1 1 93 93 ASN H H 93 9.117 9.117 8.537 0.580 17554 2773 1 5 . 1 1 94 94 GLN N N 94 119.980 119.980 119.246 0.734 17554 2774 1 5 . 1 1 94 94 GLN HA H 94 3.933 3.933 4.078 -0.145 17554 2775 1 5 . 1 1 94 94 GLN CA C 94 58.775 58.775 59.172 -0.397 17554 2776 1 5 . 1 1 94 94 GLN CB C 94 29.075 29.075 28.462 0.613 17554 2777 1 5 . 1 1 94 94 GLN H H 94 7.033 7.033 8.507 -1.474 17554 2778 1 5 . 1 1 95 95 ALA N N 95 120.823 120.823 122.785 -1.962 17554 2779 1 5 . 1 1 95 95 ALA HA H 95 3.761 3.761 4.023 -0.262 17554 2780 1 5 . 1 1 95 95 ALA CA C 95 55.680 55.680 55.164 0.516 17554 2781 1 5 . 1 1 95 95 ALA CB C 95 19.601 19.601 18.502 1.099 17554 2782 1 5 . 1 1 95 95 ALA H H 95 7.996 7.996 8.360 -0.364 17554 2783 1 5 . 1 1 96 96 ILE N N 96 116.250 116.250 120.286 -4.036 17554 2784 1 5 . 1 1 96 96 ILE HA H 96 3.420 3.420 3.526 -0.106 17554 2785 1 5 . 1 1 96 96 ILE CA C 96 65.611 65.611 66.086 -0.475 17554 2786 1 5 . 1 1 96 96 ILE CB C 96 37.869 37.869 37.908 -0.039 17554 2787 1 5 . 1 1 96 96 ILE H H 96 8.408 8.408 8.335 0.073 17554 2788 1 5 . 1 1 97 97 GLN N N 97 118.601 118.601 119.293 -0.692 17554 2789 1 5 . 1 1 97 97 GLN HA H 97 3.734 3.734 3.816 -0.082 17554 2790 1 5 . 1 1 97 97 GLN CA C 97 59.011 59.011 59.446 -0.435 17554 2791 1 5 . 1 1 97 97 GLN CB C 97 28.425 28.425 28.677 -0.252 17554 2792 1 5 . 1 1 97 97 GLN H H 97 7.767 7.767 8.144 -0.377 17554 2793 1 5 . 1 1 98 98 ALA N N 98 121.375 121.375 122.754 -1.379 17554 2794 1 5 . 1 1 98 98 ALA HA H 98 2.748 2.748 3.782 -1.034 17554 2795 1 5 . 1 1 98 98 ALA CA C 98 54.408 54.408 55.124 -0.716 17554 2796 1 5 . 1 1 98 98 ALA CB C 98 20.084 20.084 18.434 1.650 17554 2797 1 5 . 1 1 98 98 ALA H H 98 7.905 7.905 7.884 0.021 17554 2798 1 5 . 1 1 99 99 LEU N N 99 118.409 118.409 118.908 -0.499 17554 2799 1 5 . 1 1 99 99 LEU HA H 99 3.717 3.717 4.030 -0.313 17554 2800 1 5 . 1 1 99 99 LEU CA C 99 57.529 57.529 57.212 0.317 17554 2801 1 5 . 1 1 99 99 LEU CB C 99 40.714 40.714 41.369 -0.655 17554 2802 1 5 . 1 1 99 99 LEU H H 99 7.938 7.938 8.371 -0.433 17554 2803 1 5 . 1 1 100 100 ARG N N 100 119.771 119.771 119.597 0.174 17554 2804 1 5 . 1 1 100 100 ARG HA H 100 4.107 4.107 3.842 0.265 17554 2805 1 5 . 1 1 100 100 ARG CA C 100 59.182 59.182 59.397 -0.214 17554 2806 1 5 . 1 1 100 100 ARG CB C 100 30.021 30.021 29.864 0.157 17554 2807 1 5 . 1 1 100 100 ARG H H 100 8.248 8.248 8.344 -0.096 17554 2808 1 5 . 1 1 101 101 ALA N N 101 119.288 119.288 119.247 0.041 17554 2809 1 5 . 1 1 101 101 ALA HA H 101 3.983 3.983 3.930 0.053 17554 2810 1 5 . 1 1 101 101 ALA CA C 101 53.663 53.663 54.107 -0.444 17554 2811 1 5 . 1 1 101 101 ALA CB C 101 17.946 17.946 17.605 0.341 17554 2812 1 5 . 1 1 101 101 ALA H H 101 7.324 7.324 7.336 -0.012 17554 2813 1 5 . 1 1 102 102 THR N N 102 105.233 105.233 109.096 -3.863 17554 2814 1 5 . 1 1 102 102 THR HA H 102 4.429 4.429 4.085 0.344 17554 2815 1 5 . 1 1 102 102 THR CA C 102 60.535 60.535 62.657 -2.122 17554 2816 1 5 . 1 1 102 102 THR CB C 102 71.036 71.036 69.460 1.576 17554 2817 1 5 . 1 1 102 102 THR H H 102 7.113 7.113 7.888 -0.775 17554 2818 1 5 . 1 1 103 103 ASN N N 103 119.293 119.293 119.843 -0.550 17554 2819 1 5 . 1 1 103 103 ASN HA H 103 4.343 4.343 4.266 0.077 17554 2820 1 5 . 1 1 103 103 ASN CA C 103 54.462 54.462 54.188 0.274 17554 2821 1 5 . 1 1 103 103 ASN CB C 103 36.960 36.960 37.600 -0.640 17554 2822 1 5 . 1 1 103 103 ASN H H 103 7.701 7.701 7.723 -0.022 17554 2823 1 5 . 1 1 104 104 ASN N N 104 108.274 108.274 111.073 -2.799 17554 2824 1 5 . 1 1 104 104 ASN HA H 104 3.956 3.956 4.223 -0.267 17554 2825 1 5 . 1 1 104 104 ASN CA C 104 54.757 54.757 54.756 0.001 17554 2826 1 5 . 1 1 104 104 ASN CB C 104 36.151 36.151 36.959 -0.808 17554 2827 1 5 . 1 1 104 104 ASN H H 104 9.048 9.048 8.713 0.335 17554 2828 1 5 . 1 1 105 105 ASN N N 105 118.458 118.458 118.408 0.050 17554 2829 1 5 . 1 1 105 105 ASN HA H 105 4.728 4.728 4.737 -0.009 17554 2830 1 5 . 1 1 105 105 ASN CA C 105 53.081 53.081 52.839 0.242 17554 2831 1 5 . 1 1 105 105 ASN CB C 105 40.405 40.405 39.016 1.389 17554 2832 1 5 . 1 1 105 105 ASN H H 105 7.061 7.061 7.563 -0.502 17554 2833 1 5 . 1 1 106 106 LEU N N 106 128.727 128.727 127.760 0.967 17554 2834 1 5 . 1 1 106 106 LEU HA H 106 3.732 3.732 3.949 -0.217 17554 2835 1 5 . 1 1 106 106 LEU CA C 106 59.307 59.307 59.245 0.062 17554 2836 1 5 . 1 1 106 106 LEU CB C 106 42.071 42.071 42.195 -0.124 17554 2837 1 5 . 1 1 106 106 LEU H H 106 8.718 8.718 8.351 0.367 17554 2838 1 5 . 1 1 107 107 GLU N N 107 117.325 117.325 118.113 -0.788 17554 2839 1 5 . 1 1 107 107 GLU HA H 107 3.890 3.890 3.961 -0.071 17554 2840 1 5 . 1 1 107 107 GLU CA C 107 60.871 60.871 59.969 0.902 17554 2841 1 5 . 1 1 107 107 GLU CB C 107 28.881 28.881 28.624 0.257 17554 2842 1 5 . 1 1 107 107 GLU H H 107 8.390 8.390 8.750 -0.360 17554 2843 1 5 . 1 1 108 108 ARG N N 108 117.912 117.912 120.431 -2.519 17554 2844 1 5 . 1 1 108 108 ARG HA H 108 4.265 4.265 4.256 0.009 17554 2845 1 5 . 1 1 108 108 ARG CA C 108 58.748 58.748 58.360 0.388 17554 2846 1 5 . 1 1 108 108 ARG CB C 108 30.650 30.650 29.796 0.854 17554 2847 1 5 . 1 1 108 108 ARG H H 108 8.410 8.410 8.243 0.167 17554 2848 1 5 . 1 1 109 109 ALA N N 109 127.124 127.124 123.527 3.597 17554 2849 1 5 . 1 1 109 109 ALA HA H 109 3.900 3.900 4.104 -0.204 17554 2850 1 5 . 1 1 109 109 ALA CA C 109 55.518 55.518 55.303 0.215 17554 2851 1 5 . 1 1 109 109 ALA CB C 109 17.772 17.772 18.348 -0.576 17554 2852 1 5 . 1 1 109 109 ALA H H 109 9.083 9.083 8.241 0.842 17554 2853 1 5 . 1 1 110 110 LEU N N 110 118.715 118.715 119.010 -0.295 17554 2854 1 5 . 1 1 110 110 LEU HA H 110 3.777 3.777 3.792 -0.015 17554 2855 1 5 . 1 1 110 110 LEU CA C 110 57.997 57.997 58.158 -0.161 17554 2856 1 5 . 1 1 110 110 LEU CB C 110 40.963 40.963 41.434 -0.471 17554 2857 1 5 . 1 1 110 110 LEU H H 110 8.215 8.215 8.247 -0.032 17554 2858 1 5 . 1 1 111 111 ASP N N 111 118.516 118.516 119.921 -1.405 17554 2859 1 5 . 1 1 111 111 ASP HA H 111 4.484 4.484 4.381 0.103 17554 2860 1 5 . 1 1 111 111 ASP CA C 111 57.634 57.634 58.303 -0.670 17554 2861 1 5 . 1 1 111 111 ASP CB C 111 41.026 41.026 40.956 0.070 17554 2862 1 5 . 1 1 111 111 ASP H H 111 7.400 7.400 8.275 -0.875 17554 2863 1 5 . 1 1 112 112 TRP N N 112 122.780 122.780 120.340 2.440 17554 2864 1 5 . 1 1 112 112 TRP HA H 112 4.097 4.097 4.395 -0.298 17554 2865 1 5 . 1 1 112 112 TRP CA C 112 62.365 62.365 60.991 1.374 17554 2866 1 5 . 1 1 112 112 TRP CB C 112 29.490 29.490 29.758 -0.268 17554 2867 1 5 . 1 1 112 112 TRP H H 112 8.525 8.525 8.351 0.174 17554 2868 1 5 . 1 1 113 113 ILE N N 113 122.469 122.469 118.369 4.100 17554 2869 1 5 . 1 1 113 113 ILE HA H 113 3.575 3.575 3.666 -0.091 17554 2870 1 5 . 1 1 113 113 ILE CA C 113 66.239 66.239 64.956 1.283 17554 2871 1 5 . 1 1 113 113 ILE CB C 113 37.688 37.688 37.337 0.351 17554 2872 1 5 . 1 1 113 113 ILE H H 113 8.618 8.618 8.454 0.164 17554 2873 1 5 . 1 1 114 114 PHE N N 114 118.665 118.665 121.163 -2.498 17554 2874 1 5 . 1 1 114 114 PHE HA H 114 4.386 4.386 4.182 0.204 17554 2875 1 5 . 1 1 114 114 PHE CA C 114 60.111 60.111 60.799 -0.688 17554 2876 1 5 . 1 1 114 114 PHE CB C 114 38.344 38.344 39.051 -0.707 17554 2877 1 5 . 1 1 114 114 PHE H H 114 8.109 8.109 8.736 -0.627 17554 2878 1 5 . 1 1 115 115 SER N N 115 111.172 111.172 111.813 -0.641 17554 2879 1 5 . 1 1 115 115 SER HA H 115 4.333 4.333 4.087 0.246 17554 2880 1 5 . 1 1 115 115 SER CA C 115 58.593 58.593 59.406 -0.813 17554 2881 1 5 . 1 1 115 115 SER CB C 115 64.067 64.067 62.662 1.405 17554 2882 1 5 . 1 1 115 115 SER H H 115 7.723 7.723 7.415 0.308 17554 2883 1 5 . 1 1 116 116 HIS N N 116 119.686 119.686 119.719 -0.033 17554 2884 1 5 . 1 1 116 116 HIS HA H 116 4.749 4.749 5.286 -0.537 17554 2885 1 5 . 1 1 116 116 HIS CA C 116 54.476 54.476 53.310 1.166 17554 2886 1 5 . 1 1 116 116 HIS CB C 116 27.310 27.310 29.082 -1.772 17554 2887 1 5 . 1 1 116 116 HIS H H 116 7.407 7.407 7.712 -0.305 17554 2888 1 5 . 1 1 117 117 PRO HA H 117 4.465 4.465 4.019 0.446 17554 2889 1 5 . 1 1 117 117 PRO CA C 117 64.170 64.170 65.070 -0.900 17554 2890 1 5 . 1 1 117 117 PRO CB C 117 31.939 31.939 32.187 -0.248 17554 2891 1 5 . 1 1 118 118 GLU N N 118 119.986 119.986 114.200 5.786 17554 2892 1 5 . 1 1 118 118 GLU HA H 118 4.338 4.338 4.384 -0.046 17554 2893 1 5 . 1 1 118 118 GLU CA C 118 56.440 56.440 56.666 -0.226 17554 2894 1 5 . 1 1 118 118 GLU CB C 118 29.469 29.469 30.175 -0.706 17554 2895 1 5 . 1 1 118 118 GLU H H 118 8.667 8.667 8.450 0.217 17554 2896 1 5 . 1 1 119 119 PHE N N 119 121.581 121.581 121.393 0.188 17554 2897 1 5 . 1 1 119 119 PHE HA H 119 4.632 4.632 4.768 -0.136 17554 2898 1 5 . 1 1 119 119 PHE CA C 119 57.981 57.981 57.636 0.345 17554 2899 1 5 . 1 1 119 119 PHE CB C 119 39.805 39.805 39.994 -0.189 17554 2900 1 5 . 1 1 119 119 PHE H H 119 8.054 8.054 7.880 0.174 17554 2901 1 5 . 1 1 120 120 GLU N N 120 123.882 123.882 119.842 4.040 17554 2902 1 5 . 1 1 120 120 GLU HA H 120 4.273 4.273 4.092 0.181 17554 2903 1 5 . 1 1 120 120 GLU CA C 120 56.127 56.127 56.836 -0.709 17554 2904 1 5 . 1 1 120 120 GLU CB C 120 30.789 30.789 28.942 1.847 17554 2905 1 5 . 1 1 120 120 GLU H H 120 8.264 8.264 8.121 0.143 17554 2906 1 5 . 1 1 121 121 GLU N N 121 122.504 122.504 122.769 -0.265 17554 2907 1 5 . 1 1 121 121 GLU HA H 121 4.213 4.213 4.366 -0.153 17554 2908 1 5 . 1 1 121 121 GLU CA C 121 56.634 56.634 55.974 0.660 17554 2909 1 5 . 1 1 121 121 GLU CB C 121 30.580 30.580 30.541 0.039 17554 2910 1 5 . 1 1 121 121 GLU H H 121 8.398 8.398 8.292 0.106 17554 2911 1 5 . 1 1 122 122 ASP N N 122 121.820 121.820 120.872 0.948 17554 2912 1 5 . 1 1 122 122 ASP HA H 122 4.627 4.627 4.655 -0.028 17554 2913 1 5 . 1 1 122 122 ASP CA C 122 54.443 54.443 53.797 0.646 17554 2914 1 5 . 1 1 122 122 ASP CB C 122 41.237 41.237 41.969 -0.732 17554 2915 1 5 . 1 1 122 122 ASP H H 122 8.478 8.478 8.170 0.308 17554 2916 1 5 . 1 1 123 123 SER N N 123 116.397 116.397 119.139 -2.742 17554 2917 1 5 . 1 1 123 123 SER HA H 123 4.392 4.392 4.367 0.025 17554 2918 1 5 . 1 1 123 123 SER CA C 123 58.605 58.605 58.967 -0.362 17554 2919 1 5 . 1 1 123 123 SER CB C 123 64.064 64.064 63.614 0.451 17554 2920 1 5 . 1 1 123 123 SER H H 123 8.236 8.236 8.436 -0.200 17554 2921 1 5 . 1 1 124 124 ASP N N 124 122.070 122.070 119.860 2.210 17554 2922 1 5 . 1 1 124 124 ASP HA H 124 4.599 4.599 4.376 0.223 17554 2923 1 5 . 1 1 124 124 ASP CA C 124 54.501 54.501 54.648 -0.147 17554 2924 1 5 . 1 1 124 124 ASP CB C 124 41.106 41.106 40.330 0.776 17554 2925 1 5 . 1 1 124 124 ASP H H 124 8.378 8.378 8.530 -0.152 17554 2926 1 5 . 1 1 125 125 PHE N N 125 120.274 120.274 121.693 -1.419 17554 2927 1 5 . 1 1 125 125 PHE HA H 125 4.623 4.623 4.721 -0.098 17554 2928 1 5 . 1 1 125 125 PHE CA C 125 57.913 57.913 57.925 -0.012 17554 2929 1 5 . 1 1 125 125 PHE CB C 125 39.601 39.601 40.017 -0.416 17554 2930 1 5 . 1 1 125 125 PHE H H 125 8.049 8.049 8.140 -0.091 17554 2931 1 6 . 1 1 2 2 ILE N N 2 117.266 117.266 122.604 -5.338 17554 2932 1 6 . 1 1 2 2 ILE HA H 2 3.919 3.919 4.340 -0.421 17554 2933 1 6 . 1 1 2 2 ILE CA C 2 60.653 60.653 60.447 0.206 17554 2934 1 6 . 1 1 2 2 ILE CB C 2 41.029 41.029 39.145 1.883 17554 2935 1 6 . 1 1 2 2 ILE H H 2 7.746 7.746 7.809 -0.063 17554 2936 1 6 . 1 1 3 3 ASP N N 3 125.895 125.895 127.421 -1.526 17554 2937 1 6 . 1 1 3 3 ASP HA H 3 4.606 4.606 4.544 0.062 17554 2938 1 6 . 1 1 3 3 ASP CA C 3 54.349 54.349 55.054 -0.705 17554 2939 1 6 . 1 1 3 3 ASP CB C 3 41.214 41.214 39.896 1.318 17554 2940 1 6 . 1 1 3 3 ASP H H 3 8.328 8.328 8.820 -0.492 17554 2941 1 6 . 1 1 4 4 GLU N N 4 128.620 128.620 124.162 4.458 17554 2942 1 6 . 1 1 4 4 GLU HA H 4 3.948 3.948 4.087 -0.139 17554 2943 1 6 . 1 1 4 4 GLU CA C 4 58.981 58.981 58.824 0.157 17554 2944 1 6 . 1 1 4 4 GLU CB C 4 29.631 29.631 29.582 0.049 17554 2945 1 6 . 1 1 4 4 GLU H H 4 8.991 8.991 8.122 0.869 17554 2946 1 6 . 1 1 5 5 SER N N 5 115.342 115.342 116.180 -0.838 17554 2947 1 6 . 1 1 5 5 SER HA H 5 4.254 4.254 4.113 0.141 17554 2948 1 6 . 1 1 5 5 SER CA C 5 61.961 61.961 61.736 0.225 17554 2949 1 6 . 1 1 5 5 SER CB C 5 62.222 62.222 62.759 -0.537 17554 2950 1 6 . 1 1 5 5 SER H H 5 8.634 8.634 8.577 0.057 17554 2951 1 6 . 1 1 6 6 SER N N 6 119.418 119.418 118.471 0.947 17554 2952 1 6 . 1 1 6 6 SER HA H 6 4.354 4.354 4.304 0.050 17554 2953 1 6 . 1 1 6 6 SER CA C 6 61.729 61.729 62.082 -0.353 17554 2954 1 6 . 1 1 6 6 SER CB C 6 63.366 63.366 63.042 0.324 17554 2955 1 6 . 1 1 6 6 SER H H 6 7.670 7.670 7.723 -0.053 17554 2956 1 6 . 1 1 7 7 VAL N N 7 120.774 120.774 122.488 -1.714 17554 2957 1 6 . 1 1 7 7 VAL HA H 7 3.234 3.234 3.884 -0.650 17554 2958 1 6 . 1 1 7 7 VAL CA C 7 67.151 67.151 64.992 2.159 17554 2959 1 6 . 1 1 7 7 VAL CB C 7 31.792 31.792 31.887 -0.095 17554 2960 1 6 . 1 1 7 7 VAL H H 7 7.286 7.286 7.627 -0.341 17554 2961 1 6 . 1 1 8 8 MET N N 8 116.159 116.159 118.436 -2.277 17554 2962 1 6 . 1 1 8 8 MET HA H 8 4.356 4.356 3.986 0.370 17554 2963 1 6 . 1 1 8 8 MET CA C 8 57.482 57.482 59.266 -1.784 17554 2964 1 6 . 1 1 8 8 MET CB C 8 31.341 31.341 32.164 -0.824 17554 2965 1 6 . 1 1 8 8 MET H H 8 8.244 8.244 8.457 -0.213 17554 2966 1 6 . 1 1 9 9 GLN N N 9 119.708 119.708 119.674 0.034 17554 2967 1 6 . 1 1 9 9 GLN HA H 9 4.101 4.101 3.928 0.173 17554 2968 1 6 . 1 1 9 9 GLN CA C 9 59.331 59.331 59.101 0.230 17554 2969 1 6 . 1 1 9 9 GLN CB C 9 28.880 28.880 28.750 0.129 17554 2970 1 6 . 1 1 9 9 GLN H H 9 7.855 7.855 8.089 -0.234 17554 2971 1 6 . 1 1 10 10 LEU N N 10 118.986 118.986 120.036 -1.050 17554 2972 1 6 . 1 1 10 10 LEU HA H 10 4.463 4.463 4.048 0.415 17554 2973 1 6 . 1 1 10 10 LEU CA C 10 57.438 57.438 57.643 -0.205 17554 2974 1 6 . 1 1 10 10 LEU CB C 10 42.943 42.943 41.519 1.424 17554 2975 1 6 . 1 1 10 10 LEU H H 10 7.432 7.432 7.761 -0.329 17554 2976 1 6 . 1 1 11 11 ALA N N 11 125.146 125.146 119.842 5.304 17554 2977 1 6 . 1 1 11 11 ALA HA H 11 4.411 4.411 4.375 0.036 17554 2978 1 6 . 1 1 11 11 ALA CA C 11 55.259 55.259 54.280 0.979 17554 2979 1 6 . 1 1 11 11 ALA CB C 11 17.734 17.734 18.689 -0.955 17554 2980 1 6 . 1 1 11 11 ALA H H 11 8.797 8.797 8.369 0.428 17554 2981 1 6 . 1 1 12 12 GLU N N 12 119.871 119.871 118.063 1.808 17554 2982 1 6 . 1 1 12 12 GLU HA H 12 4.117 4.117 4.142 -0.025 17554 2983 1 6 . 1 1 12 12 GLU CA C 12 58.473 58.473 58.237 0.236 17554 2984 1 6 . 1 1 12 12 GLU CB C 12 29.531 29.531 30.547 -1.016 17554 2985 1 6 . 1 1 12 12 GLU H H 12 8.178 8.178 7.803 0.375 17554 2986 1 6 . 1 1 13 13 MET N N 13 116.292 116.292 113.745 2.547 17554 2987 1 6 . 1 1 13 13 MET HA H 13 4.296 4.296 4.781 -0.485 17554 2988 1 6 . 1 1 13 13 MET CA C 13 56.797 56.797 55.691 1.105 17554 2989 1 6 . 1 1 13 13 MET CB C 13 33.221 33.221 32.954 0.267 17554 2990 1 6 . 1 1 13 13 MET H H 13 7.619 7.619 8.047 -0.428 17554 2991 1 6 . 1 1 14 14 GLY N N 14 104.580 104.580 108.582 -4.002 17554 2992 1 6 . 1 1 14 14 GLY CA C 14 44.860 44.860 45.574 -0.714 17554 2993 1 6 . 1 1 14 14 GLY H H 14 7.873 7.873 7.680 0.193 17554 2994 1 6 . 1 1 15 15 PHE N N 15 118.802 118.802 118.167 0.635 17554 2995 1 6 . 1 1 15 15 PHE HA H 15 5.017 5.017 5.158 -0.141 17554 2996 1 6 . 1 1 15 15 PHE CA C 15 56.352 56.352 54.516 1.836 17554 2997 1 6 . 1 1 15 15 PHE CB C 15 39.395 39.395 41.746 -2.351 17554 2998 1 6 . 1 1 15 15 PHE H H 15 6.623 6.623 7.870 -1.247 17554 2999 1 6 . 1 1 16 16 PRO HA H 16 4.530 4.530 4.495 0.035 17554 3000 1 6 . 1 1 16 16 PRO CA C 16 63.064 63.064 63.434 -0.371 17554 3001 1 6 . 1 1 16 16 PRO CB C 16 32.293 32.293 30.195 2.098 17554 3002 1 6 . 1 1 17 17 LEU N N 17 128.389 128.389 125.581 2.808 17554 3003 1 6 . 1 1 17 17 LEU HA H 17 3.945 3.945 4.572 -0.627 17554 3004 1 6 . 1 1 17 17 LEU CA C 17 59.601 59.601 53.805 5.796 17554 3005 1 6 . 1 1 17 17 LEU CB C 17 42.248 42.248 39.847 2.401 17554 3006 1 6 . 1 1 17 17 LEU H H 17 9.041 9.041 8.431 0.610 17554 3007 1 6 . 1 1 18 18 GLU N N 18 114.837 114.837 124.416 -9.579 17554 3008 1 6 . 1 1 18 18 GLU HA H 18 4.067 4.067 3.978 0.089 17554 3009 1 6 . 1 1 18 18 GLU CA C 18 59.139 59.139 59.723 -0.584 17554 3010 1 6 . 1 1 18 18 GLU CB C 18 28.874 28.874 29.544 -0.670 17554 3011 1 6 . 1 1 18 18 GLU H H 18 9.267 9.267 8.233 1.034 17554 3012 1 6 . 1 1 19 19 ALA N N 19 119.137 119.137 121.526 -2.389 17554 3013 1 6 . 1 1 19 19 ALA HA H 19 3.918 3.918 4.242 -0.324 17554 3014 1 6 . 1 1 19 19 ALA CA C 19 54.872 54.872 55.285 -0.413 17554 3015 1 6 . 1 1 19 19 ALA CB C 19 17.972 17.972 18.314 -0.341 17554 3016 1 6 . 1 1 19 19 ALA H H 19 6.838 6.838 8.221 -1.383 17554 3017 1 6 . 1 1 20 20 CYS N N 20 116.877 116.877 117.474 -0.597 17554 3018 1 6 . 1 1 20 20 CYS HA H 20 3.891 3.891 4.245 -0.354 17554 3019 1 6 . 1 1 20 20 CYS CA C 20 63.356 63.356 62.904 0.452 17554 3020 1 6 . 1 1 20 20 CYS CB C 20 28.018 28.018 27.768 0.250 17554 3021 1 6 . 1 1 20 20 CYS H H 20 7.610 7.610 8.362 -0.752 17554 3022 1 6 . 1 1 21 21 ARG N N 21 117.434 117.434 120.852 -3.418 17554 3023 1 6 . 1 1 21 21 ARG HA H 21 3.696 3.696 3.937 -0.241 17554 3024 1 6 . 1 1 21 21 ARG CA C 21 60.192 60.192 59.984 0.208 17554 3025 1 6 . 1 1 21 21 ARG CB C 21 30.175 30.175 30.031 0.144 17554 3026 1 6 . 1 1 21 21 ARG H H 21 7.965 7.965 7.774 0.191 17554 3027 1 6 . 1 1 22 22 LYS N N 22 117.667 117.667 118.215 -0.548 17554 3028 1 6 . 1 1 22 22 LYS HA H 22 3.412 3.412 4.225 -0.813 17554 3029 1 6 . 1 1 22 22 LYS CA C 22 60.181 60.181 58.937 1.244 17554 3030 1 6 . 1 1 22 22 LYS CB C 22 32.085 32.085 32.346 -0.262 17554 3031 1 6 . 1 1 22 22 LYS H H 22 7.392 7.392 8.553 -1.161 17554 3032 1 6 . 1 1 23 23 ALA N N 23 120.670 120.670 123.417 -2.747 17554 3033 1 6 . 1 1 23 23 ALA HA H 23 3.015 3.015 4.048 -1.033 17554 3034 1 6 . 1 1 23 23 ALA CA C 23 54.845 54.845 54.844 0.001 17554 3035 1 6 . 1 1 23 23 ALA CB C 23 19.900 19.900 18.115 1.785 17554 3036 1 6 . 1 1 23 23 ALA H H 23 8.043 8.043 7.703 0.340 17554 3037 1 6 . 1 1 24 24 VAL N N 24 117.629 117.629 120.475 -2.846 17554 3038 1 6 . 1 1 24 24 VAL HA H 24 3.510 3.510 3.650 -0.140 17554 3039 1 6 . 1 1 24 24 VAL CA C 24 65.665 65.665 66.740 -1.075 17554 3040 1 6 . 1 1 24 24 VAL CB C 24 32.009 32.009 31.767 0.242 17554 3041 1 6 . 1 1 24 24 VAL H H 24 7.381 7.381 8.779 -1.398 17554 3042 1 6 . 1 1 25 25 TYR N N 25 120.392 120.392 120.596 -0.204 17554 3043 1 6 . 1 1 25 25 TYR HA H 25 3.860 3.860 4.136 -0.276 17554 3044 1 6 . 1 1 25 25 TYR CA C 25 62.098 62.098 60.767 1.331 17554 3045 1 6 . 1 1 25 25 TYR CB C 25 38.735 38.735 38.528 0.207 17554 3046 1 6 . 1 1 25 25 TYR H H 25 8.029 8.029 7.745 0.284 17554 3047 1 6 . 1 1 26 26 PHE N N 26 116.460 116.460 118.335 -1.875 17554 3048 1 6 . 1 1 26 26 PHE HA H 26 4.181 4.181 3.911 0.270 17554 3049 1 6 . 1 1 26 26 PHE CA C 26 60.345 60.345 60.249 0.096 17554 3050 1 6 . 1 1 26 26 PHE CB C 26 37.917 37.917 39.558 -1.641 17554 3051 1 6 . 1 1 26 26 PHE H H 26 9.102 9.102 7.647 1.455 17554 3052 1 6 . 1 1 27 27 THR N N 27 106.212 106.212 110.100 -3.888 17554 3053 1 6 . 1 1 27 27 THR HA H 27 4.477 4.477 3.780 0.697 17554 3054 1 6 . 1 1 27 27 THR CA C 27 61.195 61.195 63.656 -2.461 17554 3055 1 6 . 1 1 27 27 THR CB C 27 69.061 69.061 68.986 0.075 17554 3056 1 6 . 1 1 27 27 THR H H 27 7.050 7.050 8.147 -1.097 17554 3057 1 6 . 1 1 28 28 GLY N N 28 107.275 107.275 109.915 -2.640 17554 3058 1 6 . 1 1 28 28 GLY CA C 28 46.575 46.575 44.971 1.604 17554 3059 1 6 . 1 1 28 28 GLY H H 28 7.278 7.278 7.621 -0.343 17554 3060 1 6 . 1 1 29 29 ASN N N 29 118.189 118.189 116.039 2.150 17554 3061 1 6 . 1 1 29 29 ASN HA H 29 4.342 4.342 4.325 0.017 17554 3062 1 6 . 1 1 29 29 ASN CA C 29 53.614 53.614 53.797 -0.183 17554 3063 1 6 . 1 1 29 29 ASN CB C 29 37.302 37.302 37.465 -0.163 17554 3064 1 6 . 1 1 29 29 ASN H H 29 8.704 8.704 8.126 0.578 17554 3065 1 6 . 1 1 30 30 MET N N 30 119.241 119.241 118.238 1.003 17554 3066 1 6 . 1 1 30 30 MET HA H 30 4.791 4.791 4.529 0.262 17554 3067 1 6 . 1 1 30 30 MET CA C 30 53.943 53.943 54.368 -0.425 17554 3068 1 6 . 1 1 30 30 MET CB C 30 33.263 33.263 32.857 0.406 17554 3069 1 6 . 1 1 30 30 MET H H 30 8.921 8.921 8.398 0.523 17554 3070 1 6 . 1 1 31 31 GLY N N 31 109.623 109.623 105.856 3.767 17554 3071 1 6 . 1 1 31 31 GLY CA C 31 44.151 44.151 44.292 -0.141 17554 3072 1 6 . 1 1 31 31 GLY H H 31 8.349 8.349 7.580 0.769 17554 3073 1 6 . 1 1 32 32 ALA N N 32 121.096 121.096 124.451 -3.355 17554 3074 1 6 . 1 1 32 32 ALA HA H 32 3.980 3.980 3.988 -0.008 17554 3075 1 6 . 1 1 32 32 ALA CA C 32 55.192 55.192 54.723 0.469 17554 3076 1 6 . 1 1 32 32 ALA CB C 32 19.058 19.058 18.903 0.155 17554 3077 1 6 . 1 1 32 32 ALA H H 32 8.899 8.899 8.702 0.197 17554 3078 1 6 . 1 1 33 33 GLU N N 33 119.428 119.428 118.058 1.370 17554 3079 1 6 . 1 1 33 33 GLU HA H 33 4.095 4.095 4.173 -0.078 17554 3080 1 6 . 1 1 33 33 GLU CA C 33 60.864 60.864 59.308 1.556 17554 3081 1 6 . 1 1 33 33 GLU CB C 33 28.661 28.661 28.769 -0.108 17554 3082 1 6 . 1 1 33 33 GLU H H 33 8.705 8.705 8.722 -0.017 17554 3083 1 6 . 1 1 34 34 VAL N N 34 117.216 117.216 119.907 -2.691 17554 3084 1 6 . 1 1 34 34 VAL HA H 34 4.062 4.062 3.929 0.133 17554 3085 1 6 . 1 1 34 34 VAL CA C 34 65.178 65.178 66.236 -1.058 17554 3086 1 6 . 1 1 34 34 VAL CB C 34 31.684 31.684 31.464 0.220 17554 3087 1 6 . 1 1 34 34 VAL H H 34 8.178 8.178 8.015 0.163 17554 3088 1 6 . 1 1 35 35 ALA N N 35 123.635 123.635 122.447 1.188 17554 3089 1 6 . 1 1 35 35 ALA HA H 35 4.289 4.289 4.315 -0.026 17554 3090 1 6 . 1 1 35 35 ALA CA C 35 54.787 54.787 54.888 -0.101 17554 3091 1 6 . 1 1 35 35 ALA CB C 35 19.794 19.794 18.261 1.533 17554 3092 1 6 . 1 1 35 35 ALA H H 35 7.178 7.178 7.802 -0.624 17554 3093 1 6 . 1 1 36 36 PHE N N 36 120.976 120.976 120.349 0.627 17554 3094 1 6 . 1 1 36 36 PHE HA H 36 4.079 4.079 4.150 -0.071 17554 3095 1 6 . 1 1 36 36 PHE CA C 36 61.339 61.339 61.808 -0.469 17554 3096 1 6 . 1 1 36 36 PHE CB C 36 38.952 38.952 39.197 -0.244 17554 3097 1 6 . 1 1 36 36 PHE H H 36 8.832 8.832 8.763 0.069 17554 3098 1 6 . 1 1 37 37 ASN N N 37 114.823 114.823 117.821 -2.998 17554 3099 1 6 . 1 1 37 37 ASN HA H 37 4.318 4.318 4.220 0.098 17554 3100 1 6 . 1 1 37 37 ASN CA C 37 56.379 56.379 56.150 0.229 17554 3101 1 6 . 1 1 37 37 ASN CB C 37 38.288 38.288 38.454 -0.166 17554 3102 1 6 . 1 1 37 37 ASN H H 37 7.591 7.591 8.475 -0.884 17554 3103 1 6 . 1 1 38 38 TRP N N 38 119.984 119.984 122.103 -2.119 17554 3104 1 6 . 1 1 38 38 TRP HA H 38 4.191 4.191 4.327 -0.136 17554 3105 1 6 . 1 1 38 38 TRP CA C 38 62.279 62.279 60.697 1.582 17554 3106 1 6 . 1 1 38 38 TRP CB C 38 30.545 30.545 29.751 0.794 17554 3107 1 6 . 1 1 38 38 TRP H H 38 7.630 7.630 8.322 -0.692 17554 3108 1 6 . 1 1 39 39 ILE N N 39 121.183 121.183 120.341 0.842 17554 3109 1 6 . 1 1 39 39 ILE HA H 39 3.647 3.647 3.872 -0.225 17554 3110 1 6 . 1 1 39 39 ILE CA C 39 65.651 65.651 62.831 2.820 17554 3111 1 6 . 1 1 39 39 ILE CB C 39 36.375 36.375 38.143 -1.768 17554 3112 1 6 . 1 1 39 39 ILE H H 39 8.017 8.017 8.099 -0.082 17554 3113 1 6 . 1 1 40 40 ILE N N 40 115.084 115.084 116.463 -1.379 17554 3114 1 6 . 1 1 40 40 ILE HA H 40 3.665 3.665 3.817 -0.152 17554 3115 1 6 . 1 1 40 40 ILE CA C 40 63.224 63.224 63.829 -0.605 17554 3116 1 6 . 1 1 40 40 ILE CB C 40 36.681 36.681 37.131 -0.450 17554 3117 1 6 . 1 1 40 40 ILE H H 40 7.474 7.474 7.422 0.052 17554 3118 1 6 . 1 1 41 41 VAL N N 41 116.045 116.045 117.656 -1.611 17554 3119 1 6 . 1 1 41 41 VAL HA H 41 3.661 3.661 3.716 -0.055 17554 3120 1 6 . 1 1 41 41 VAL CA C 41 64.452 64.452 65.058 -0.606 17554 3121 1 6 . 1 1 41 41 VAL CB C 41 32.156 32.156 31.296 0.860 17554 3122 1 6 . 1 1 41 41 VAL H H 41 7.054 7.054 7.511 -0.457 17554 3123 1 6 . 1 1 42 42 HIS N N 42 115.595 115.595 117.892 -2.297 17554 3124 1 6 . 1 1 42 42 HIS HA H 42 4.098 4.098 4.454 -0.356 17554 3125 1 6 . 1 1 42 42 HIS CA C 42 57.365 57.365 55.927 1.438 17554 3126 1 6 . 1 1 42 42 HIS CB C 42 28.251 28.251 30.020 -1.769 17554 3127 1 6 . 1 1 42 42 HIS H H 42 7.353 7.353 7.553 -0.200 17554 3128 1 6 . 1 1 43 43 MET N N 43 117.495 117.495 117.667 -0.172 17554 3129 1 6 . 1 1 43 43 MET HA H 43 2.064 2.064 4.222 -2.158 17554 3130 1 6 . 1 1 43 43 MET CA C 43 57.980 57.980 58.119 -0.139 17554 3131 1 6 . 1 1 43 43 MET CB C 43 32.258 32.258 32.164 0.094 17554 3132 1 6 . 1 1 43 43 MET H H 43 7.373 7.373 7.713 -0.340 17554 3133 1 6 . 1 1 44 44 GLU N N 44 116.844 116.844 117.544 -0.700 17554 3134 1 6 . 1 1 44 44 GLU HA H 44 4.346 4.346 4.044 0.302 17554 3135 1 6 . 1 1 44 44 GLU CA C 44 55.838 55.838 57.436 -1.598 17554 3136 1 6 . 1 1 44 44 GLU CB C 44 29.351 29.351 29.120 0.231 17554 3137 1 6 . 1 1 44 44 GLU H H 44 8.102 8.102 8.160 -0.058 17554 3138 1 6 . 1 1 45 45 GLU N N 45 121.925 121.925 120.735 1.190 17554 3139 1 6 . 1 1 45 45 GLU HA H 45 4.426 4.426 4.556 -0.130 17554 3140 1 6 . 1 1 45 45 GLU CA C 45 55.141 55.141 52.953 2.188 17554 3141 1 6 . 1 1 45 45 GLU CB C 45 28.513 28.513 28.814 -0.301 17554 3142 1 6 . 1 1 45 45 GLU H H 45 7.853 7.853 7.474 0.379 17554 3143 1 6 . 1 1 46 46 PRO HA H 46 4.440 4.440 4.192 0.248 17554 3144 1 6 . 1 1 46 46 PRO CA C 46 65.070 65.070 65.488 -0.418 17554 3145 1 6 . 1 1 46 46 PRO CB C 46 31.850 31.850 31.972 -0.122 17554 3146 1 6 . 1 1 47 47 ASP N N 47 115.051 115.051 115.104 -0.053 17554 3147 1 6 . 1 1 47 47 ASP HA H 47 4.686 4.686 4.585 0.101 17554 3148 1 6 . 1 1 47 47 ASP CA C 47 52.841 52.841 53.964 -1.123 17554 3149 1 6 . 1 1 47 47 ASP CB C 47 39.711 39.711 40.635 -0.924 17554 3150 1 6 . 1 1 47 47 ASP H H 47 8.437 8.437 8.658 -0.221 17554 3151 1 6 . 1 1 48 48 PHE N N 48 122.693 122.693 118.804 3.889 17554 3152 1 6 . 1 1 48 48 PHE HA H 48 4.522 4.522 4.319 0.203 17554 3153 1 6 . 1 1 48 48 PHE CA C 48 60.887 60.887 59.305 1.582 17554 3154 1 6 . 1 1 48 48 PHE CB C 48 40.495 40.495 39.624 0.871 17554 3155 1 6 . 1 1 48 48 PHE H H 48 7.695 7.695 7.340 0.355 17554 3156 1 6 . 1 1 49 49 ALA N N 49 117.185 117.185 122.363 -5.178 17554 3157 1 6 . 1 1 49 49 ALA HA H 49 4.099 4.099 4.562 -0.463 17554 3158 1 6 . 1 1 49 49 ALA CA C 49 51.211 51.211 50.495 0.716 17554 3159 1 6 . 1 1 49 49 ALA CB C 49 19.067 19.067 17.745 1.322 17554 3160 1 6 . 1 1 49 49 ALA H H 49 8.643 8.643 7.257 1.386 17554 3161 1 6 . 1 1 50 50 GLU N N 50 119.707 119.707 123.221 -3.514 17554 3162 1 6 . 1 1 50 50 GLU HA H 50 4.412 4.412 4.194 0.218 17554 3163 1 6 . 1 1 50 50 GLU CA C 50 54.755 54.755 55.135 -0.380 17554 3164 1 6 . 1 1 50 50 GLU CB C 50 29.274 29.274 29.552 -0.278 17554 3165 1 6 . 1 1 50 50 GLU H H 50 7.412 7.412 8.008 -0.596 17554 3166 1 6 . 1 1 51 51 PRO HA H 51 4.315 4.315 4.372 -0.057 17554 3167 1 6 . 1 1 51 51 PRO CA C 51 62.863 62.863 62.963 -0.100 17554 3168 1 6 . 1 1 51 51 PRO CB C 51 32.408 32.408 30.522 1.886 17554 3169 1 6 . 1 1 52 52 LEU N N 52 123.507 123.507 126.089 -2.582 17554 3170 1 6 . 1 1 52 52 LEU HA H 52 4.210 4.210 4.597 -0.387 17554 3171 1 6 . 1 1 52 52 LEU CA C 52 55.217 55.217 54.626 0.591 17554 3172 1 6 . 1 1 52 52 LEU CB C 52 42.918 42.918 42.862 0.056 17554 3173 1 6 . 1 1 52 52 LEU H H 52 8.475 8.475 8.097 0.378 17554 3174 1 6 . 1 1 53 53 THR N N 53 119.005 119.005 115.961 3.044 17554 3175 1 6 . 1 1 53 53 THR HA H 53 4.292 4.292 3.997 0.295 17554 3176 1 6 . 1 1 53 53 THR CA C 53 61.478 61.478 62.753 -1.275 17554 3177 1 6 . 1 1 53 53 THR CB C 53 69.752 69.752 68.286 1.466 17554 3178 1 6 . 1 1 53 53 THR H H 53 8.371 8.371 8.384 -0.013 17554 3179 1 6 . 1 1 54 54 MET N N 54 124.439 124.439 123.644 0.795 17554 3180 1 6 . 1 1 54 54 MET HA H 54 4.651 4.651 4.689 -0.038 17554 3181 1 6 . 1 1 54 54 MET CA C 54 53.235 53.235 53.658 -0.423 17554 3182 1 6 . 1 1 54 54 MET CB C 54 32.605 32.605 32.834 -0.229 17554 3183 1 6 . 1 1 54 54 MET H H 54 8.264 8.264 8.294 -0.030 17554 3184 1 6 . 1 1 55 55 PRO HA H 55 4.368 4.368 4.928 -0.560 17554 3185 1 6 . 1 1 55 55 PRO CA C 55 63.668 63.668 61.803 1.865 17554 3186 1 6 . 1 1 55 55 PRO CB C 55 32.038 32.038 34.140 -2.102 17554 3187 1 6 . 1 1 56 56 GLY N N 56 109.663 109.663 106.481 3.182 17554 3188 1 6 . 1 1 56 56 GLY CA C 56 45.314 45.314 45.505 -0.191 17554 3189 1 6 . 1 1 56 56 GLY H H 56 8.461 8.461 8.414 0.047 17554 3190 1 6 . 1 1 57 57 TYR N N 57 120.317 120.317 120.456 -0.139 17554 3191 1 6 . 1 1 57 57 TYR HA H 57 4.528 4.528 4.271 0.257 17554 3192 1 6 . 1 1 57 57 TYR CA C 57 58.132 58.132 57.655 0.477 17554 3193 1 6 . 1 1 57 57 TYR CB C 57 38.958 38.958 37.522 1.436 17554 3194 1 6 . 1 1 57 57 TYR H H 57 8.033 8.033 7.961 0.072 17554 3195 1 6 . 1 1 58 58 GLY N N 58 111.694 111.694 111.931 -0.237 17554 3196 1 6 . 1 1 58 58 GLY CA C 58 45.489 45.489 44.300 1.190 17554 3197 1 6 . 1 1 58 58 GLY H H 58 8.423 8.423 8.014 0.409 17554 3198 1 6 . 1 1 59 59 GLY N N 59 108.403 108.403 110.669 -2.266 17554 3199 1 6 . 1 1 59 59 GLY CA C 59 45.210 45.210 45.086 0.124 17554 3200 1 6 . 1 1 59 59 GLY H H 59 7.871 7.871 8.264 -0.393 17554 3201 1 6 . 1 1 60 60 ALA N N 60 123.835 123.835 121.777 2.058 17554 3202 1 6 . 1 1 60 60 ALA HA H 60 4.294 4.294 4.098 0.196 17554 3203 1 6 . 1 1 60 60 ALA CA C 60 52.710 52.710 51.845 0.865 17554 3204 1 6 . 1 1 60 60 ALA CB C 60 19.353 19.353 19.190 0.163 17554 3205 1 6 . 1 1 60 60 ALA H H 60 8.207 8.207 7.779 0.428 17554 3206 1 6 . 1 1 61 61 ALA N N 61 123.032 123.032 125.449 -2.417 17554 3207 1 6 . 1 1 61 61 ALA HA H 61 4.316 4.316 4.291 0.025 17554 3208 1 6 . 1 1 61 61 ALA CA C 61 52.751 52.751 52.521 0.230 17554 3209 1 6 . 1 1 61 61 ALA CB C 61 19.096 19.096 19.165 -0.069 17554 3210 1 6 . 1 1 61 61 ALA H H 61 8.331 8.331 8.665 -0.334 17554 3211 1 6 . 1 1 62 62 SER N N 62 114.625 114.625 115.568 -0.943 17554 3212 1 6 . 1 1 62 62 SER HA H 62 4.406 4.406 4.497 -0.091 17554 3213 1 6 . 1 1 62 62 SER CA C 62 58.283 58.283 57.619 0.664 17554 3214 1 6 . 1 1 62 62 SER CB C 62 63.858 63.858 63.737 0.121 17554 3215 1 6 . 1 1 62 62 SER H H 62 8.158 8.158 7.769 0.389 17554 3216 1 6 . 1 1 63 63 ALA N N 63 125.890 125.890 126.307 -0.417 17554 3217 1 6 . 1 1 63 63 ALA HA H 63 4.314 4.314 4.415 -0.101 17554 3218 1 6 . 1 1 63 63 ALA CA C 63 52.926 52.926 52.180 0.746 17554 3219 1 6 . 1 1 63 63 ALA CB C 63 19.216 19.216 18.939 0.277 17554 3220 1 6 . 1 1 63 63 ALA H H 63 8.294 8.294 8.454 -0.160 17554 3221 1 6 . 1 1 64 64 GLY N N 64 107.980 107.980 107.014 0.966 17554 3222 1 6 . 1 1 64 64 GLY CA C 64 45.324 45.324 44.491 0.833 17554 3223 1 6 . 1 1 64 64 GLY H H 64 8.321 8.321 7.813 0.508 17554 3224 1 6 . 1 1 65 65 ALA N N 65 123.524 123.524 125.400 -1.876 17554 3225 1 6 . 1 1 65 65 ALA HA H 65 4.330 4.330 4.943 -0.613 17554 3226 1 6 . 1 1 65 65 ALA CA C 65 52.589 52.589 51.994 0.595 17554 3227 1 6 . 1 1 65 65 ALA CB C 65 19.438 19.438 19.591 -0.153 17554 3228 1 6 . 1 1 65 65 ALA H H 65 8.088 8.088 8.290 -0.202 17554 3229 1 6 . 1 1 66 66 SER N N 66 115.072 115.072 116.812 -1.740 17554 3230 1 6 . 1 1 66 66 SER HA H 66 4.442 4.442 4.543 -0.101 17554 3231 1 6 . 1 1 66 66 SER CA C 66 58.334 58.334 57.954 0.380 17554 3232 1 6 . 1 1 66 66 SER CB C 66 63.804 63.804 65.158 -1.354 17554 3233 1 6 . 1 1 66 66 SER H H 66 8.297 8.297 8.517 -0.220 17554 3234 1 6 . 1 1 67 67 VAL N N 67 121.228 121.228 122.369 -1.141 17554 3235 1 6 . 1 1 67 67 VAL HA H 67 4.075 4.075 4.480 -0.405 17554 3236 1 6 . 1 1 67 67 VAL CA C 67 62.417 62.417 61.706 0.711 17554 3237 1 6 . 1 1 67 67 VAL CB C 67 32.611 32.611 32.862 -0.251 17554 3238 1 6 . 1 1 67 67 VAL H H 67 8.007 8.007 8.013 -0.006 17554 3239 1 6 . 1 1 68 68 PHE N N 68 123.068 123.068 125.932 -2.864 17554 3240 1 6 . 1 1 68 68 PHE HA H 68 4.618 4.618 4.728 -0.110 17554 3241 1 6 . 1 1 68 68 PHE CA C 68 57.981 57.981 57.104 0.877 17554 3242 1 6 . 1 1 68 68 PHE CB C 68 39.618 39.618 40.264 -0.646 17554 3243 1 6 . 1 1 68 68 PHE H H 68 8.255 8.255 8.407 -0.152 17554 3244 1 6 . 1 1 69 69 GLY N N 69 110.709 110.709 109.892 0.817 17554 3245 1 6 . 1 1 69 69 GLY CA C 69 45.339 45.339 44.945 0.394 17554 3246 1 6 . 1 1 69 69 GLY H H 69 8.234 8.234 8.842 -0.608 17554 3247 1 6 . 1 1 70 70 ALA N N 70 123.857 123.857 126.147 -2.290 17554 3248 1 6 . 1 1 70 70 ALA HA H 70 4.348 4.348 4.700 -0.352 17554 3249 1 6 . 1 1 70 70 ALA CA C 70 52.626 52.626 51.450 1.175 17554 3250 1 6 . 1 1 70 70 ALA CB C 70 19.386 19.386 21.898 -2.512 17554 3251 1 6 . 1 1 70 70 ALA H H 70 8.140 8.140 8.676 -0.536 17554 3252 1 6 . 1 1 71 71 SER N N 71 115.019 115.019 120.295 -5.276 17554 3253 1 6 . 1 1 71 71 SER HA H 71 4.441 4.441 4.441 0.000 17554 3254 1 6 . 1 1 71 71 SER CA C 71 58.592 58.592 59.096 -0.504 17554 3255 1 6 . 1 1 71 71 SER CB C 71 63.975 63.975 61.083 2.893 17554 3256 1 6 . 1 1 71 71 SER H H 71 8.379 8.379 8.796 -0.417 17554 3257 1 6 . 1 1 72 72 GLY N N 72 110.640 110.640 111.745 -1.105 17554 3258 1 6 . 1 1 72 72 GLY CA C 72 45.546 45.546 45.647 -0.101 17554 3259 1 6 . 1 1 72 72 GLY H H 72 8.395 8.395 8.493 -0.098 17554 3260 1 6 . 1 1 73 73 LEU N N 73 121.191 121.191 122.707 -1.516 17554 3261 1 6 . 1 1 73 73 LEU HA H 73 4.319 4.319 4.436 -0.117 17554 3262 1 6 . 1 1 73 73 LEU CA C 73 55.292 55.292 56.481 -1.190 17554 3263 1 6 . 1 1 73 73 LEU CB C 73 42.355 42.355 42.465 -0.110 17554 3264 1 6 . 1 1 73 73 LEU H H 73 8.088 8.088 7.907 0.181 17554 3265 1 6 . 1 1 74 74 ASP N N 74 120.099 120.099 120.260 -0.161 17554 3266 1 6 . 1 1 74 74 ASP HA H 74 4.549 4.549 4.730 -0.181 17554 3267 1 6 . 1 1 74 74 ASP CA C 74 54.451 54.451 54.796 -0.345 17554 3268 1 6 . 1 1 74 74 ASP CB C 74 41.071 41.071 41.297 -0.226 17554 3269 1 6 . 1 1 74 74 ASP H H 74 8.312 8.312 8.402 -0.090 17554 3270 1 6 . 1 1 75 75 ASN N N 75 118.544 118.544 121.418 -2.874 17554 3271 1 6 . 1 1 75 75 ASN HA H 75 4.627 4.627 4.707 -0.080 17554 3272 1 6 . 1 1 75 75 ASN CA C 75 53.043 53.043 51.964 1.079 17554 3273 1 6 . 1 1 75 75 ASN CB C 75 38.723 38.723 38.745 -0.022 17554 3274 1 6 . 1 1 75 75 ASN H H 75 8.254 8.254 8.702 -0.448 17554 3275 1 6 . 1 1 76 76 GLN N N 76 121.475 121.475 121.059 0.416 17554 3276 1 6 . 1 1 76 76 GLN HA H 76 4.527 4.527 4.588 -0.061 17554 3277 1 6 . 1 1 76 76 GLN CA C 76 53.613 53.613 54.096 -0.483 17554 3278 1 6 . 1 1 76 76 GLN CB C 76 28.697 28.697 29.538 -0.841 17554 3279 1 6 . 1 1 76 76 GLN H H 76 8.228 8.228 7.973 0.255 17554 3280 1 6 . 1 1 77 77 PRO HA H 77 4.566 4.566 4.451 0.115 17554 3281 1 6 . 1 1 77 77 PRO CA C 77 61.219 61.219 61.937 -0.718 17554 3282 1 6 . 1 1 77 77 PRO CB C 77 31.453 31.453 31.230 0.223 17554 3283 1 6 . 1 1 78 78 PRO HA H 78 4.449 4.449 4.422 0.027 17554 3284 1 6 . 1 1 78 78 PRO CA C 78 62.743 62.743 62.946 -0.203 17554 3285 1 6 . 1 1 78 78 PRO CB C 78 32.168 32.168 31.934 0.234 17554 3286 1 6 . 1 1 79 79 GLU N N 79 127.716 127.716 126.587 1.129 17554 3287 1 6 . 1 1 79 79 GLU HA H 79 3.843 3.843 3.848 -0.005 17554 3288 1 6 . 1 1 79 79 GLU CA C 79 59.074 59.074 59.930 -0.856 17554 3289 1 6 . 1 1 79 79 GLU CB C 79 28.921 28.921 28.660 0.261 17554 3290 1 6 . 1 1 79 79 GLU H H 79 9.073 9.073 8.931 0.142 17554 3291 1 6 . 1 1 80 80 GLU N N 80 117.579 117.579 120.455 -2.876 17554 3292 1 6 . 1 1 80 80 GLU HA H 80 4.120 4.120 4.116 0.004 17554 3293 1 6 . 1 1 80 80 GLU CA C 80 59.468 59.468 59.182 0.286 17554 3294 1 6 . 1 1 80 80 GLU CB C 80 28.680 28.680 29.121 -0.441 17554 3295 1 6 . 1 1 80 80 GLU H H 80 9.604 9.604 8.747 0.857 17554 3296 1 6 . 1 1 81 81 ILE N N 81 117.488 117.488 119.732 -2.244 17554 3297 1 6 . 1 1 81 81 ILE HA H 81 4.068 4.068 3.867 0.201 17554 3298 1 6 . 1 1 81 81 ILE CA C 81 63.261 63.261 64.372 -1.111 17554 3299 1 6 . 1 1 81 81 ILE CB C 81 37.248 37.248 38.384 -1.136 17554 3300 1 6 . 1 1 81 81 ILE H H 81 7.172 7.172 7.622 -0.450 17554 3301 1 6 . 1 1 82 82 VAL N N 82 121.739 121.739 118.459 3.280 17554 3302 1 6 . 1 1 82 82 VAL HA H 82 3.143 3.143 3.667 -0.523 17554 3303 1 6 . 1 1 82 82 VAL CA C 82 67.507 67.507 66.580 0.927 17554 3304 1 6 . 1 1 82 82 VAL CB C 82 31.816 31.816 31.283 0.533 17554 3305 1 6 . 1 1 82 82 VAL H H 82 7.591 7.591 8.576 -0.985 17554 3306 1 6 . 1 1 83 83 ALA N N 83 118.311 118.311 123.124 -4.813 17554 3307 1 6 . 1 1 83 83 ALA HA H 83 4.341 4.341 4.017 0.324 17554 3308 1 6 . 1 1 83 83 ALA CA C 83 54.186 54.186 55.161 -0.975 17554 3309 1 6 . 1 1 83 83 ALA CB C 83 18.026 18.026 18.167 -0.141 17554 3310 1 6 . 1 1 83 83 ALA H H 83 8.260 8.260 7.779 0.481 17554 3311 1 6 . 1 1 84 84 ILE N N 84 119.780 119.780 119.759 0.021 17554 3312 1 6 . 1 1 84 84 ILE HA H 84 3.737 3.737 3.604 0.133 17554 3313 1 6 . 1 1 84 84 ILE CA C 84 65.095 65.095 65.584 -0.489 17554 3314 1 6 . 1 1 84 84 ILE CB C 84 38.070 38.070 37.991 0.079 17554 3315 1 6 . 1 1 84 84 ILE H H 84 7.298 7.298 7.716 -0.418 17554 3316 1 6 . 1 1 85 85 ILE N N 85 119.424 119.424 119.287 0.137 17554 3317 1 6 . 1 1 85 85 ILE HA H 85 3.884 3.884 3.755 0.129 17554 3318 1 6 . 1 1 85 85 ILE CA C 85 66.207 66.207 65.913 0.294 17554 3319 1 6 . 1 1 85 85 ILE CB C 85 38.043 38.043 37.963 0.080 17554 3320 1 6 . 1 1 85 85 ILE H H 85 7.426 7.426 8.681 -1.255 17554 3321 1 6 . 1 1 86 86 THR N N 86 112.538 112.538 114.270 -1.732 17554 3322 1 6 . 1 1 86 86 THR HA H 86 4.669 4.669 4.337 0.332 17554 3323 1 6 . 1 1 86 86 THR CA C 86 64.995 64.995 65.273 -0.278 17554 3324 1 6 . 1 1 86 86 THR CB C 86 68.293 68.293 68.559 -0.266 17554 3325 1 6 . 1 1 86 86 THR H H 86 9.097 9.097 8.293 0.804 17554 3326 1 6 . 1 1 87 87 SER N N 87 120.681 120.681 116.923 3.758 17554 3327 1 6 . 1 1 87 87 SER HA H 87 4.397 4.397 4.309 0.088 17554 3328 1 6 . 1 1 87 87 SER CA C 87 61.715 61.715 60.868 0.847 17554 3329 1 6 . 1 1 87 87 SER CB C 87 62.804 62.804 63.034 -0.230 17554 3330 1 6 . 1 1 87 87 SER H H 87 8.250 8.250 8.210 0.040 17554 3331 1 6 . 1 1 88 88 MET N N 88 119.753 119.753 118.386 1.367 17554 3332 1 6 . 1 1 88 88 MET HA H 88 4.399 4.399 4.302 0.097 17554 3333 1 6 . 1 1 88 88 MET CA C 88 56.596 56.596 55.829 0.767 17554 3334 1 6 . 1 1 88 88 MET CB C 88 33.330 33.330 32.567 0.763 17554 3335 1 6 . 1 1 88 88 MET H H 88 7.550 7.550 7.870 -0.320 17554 3336 1 6 . 1 1 89 89 GLY N N 89 105.282 105.282 103.464 1.818 17554 3337 1 6 . 1 1 89 89 GLY CA C 89 44.767 44.767 44.625 0.142 17554 3338 1 6 . 1 1 89 89 GLY H H 89 7.866 7.866 7.488 0.378 17554 3339 1 6 . 1 1 90 90 PHE N N 90 118.182 118.182 120.095 -1.913 17554 3340 1 6 . 1 1 90 90 PHE HA H 90 4.721 4.721 4.788 -0.067 17554 3341 1 6 . 1 1 90 90 PHE CA C 90 57.670 57.670 57.032 0.638 17554 3342 1 6 . 1 1 90 90 PHE CB C 90 39.706 39.706 40.462 -0.756 17554 3343 1 6 . 1 1 90 90 PHE H H 90 6.675 6.675 7.475 -0.800 17554 3344 1 6 . 1 1 91 91 GLN N N 91 118.581 118.581 118.075 0.506 17554 3345 1 6 . 1 1 91 91 GLN HA H 91 4.356 4.356 4.679 -0.323 17554 3346 1 6 . 1 1 91 91 GLN CA C 91 55.485 55.485 54.215 1.270 17554 3347 1 6 . 1 1 91 91 GLN CB C 91 29.969 29.969 31.784 -1.815 17554 3348 1 6 . 1 1 91 91 GLN H H 91 8.854 8.854 8.400 0.454 17554 3349 1 6 . 1 1 92 92 ARG N N 92 124.037 124.037 127.124 -3.087 17554 3350 1 6 . 1 1 92 92 ARG HA H 92 3.624 3.624 3.934 -0.310 17554 3351 1 6 . 1 1 92 92 ARG CA C 92 60.847 60.847 60.664 0.183 17554 3352 1 6 . 1 1 92 92 ARG CB C 92 29.579 29.579 29.884 -0.304 17554 3353 1 6 . 1 1 92 92 ARG H H 92 9.124 9.124 8.902 0.222 17554 3354 1 6 . 1 1 93 93 ASN N N 93 115.060 115.060 117.711 -2.651 17554 3355 1 6 . 1 1 93 93 ASN HA H 93 4.395 4.395 4.508 -0.113 17554 3356 1 6 . 1 1 93 93 ASN CA C 93 56.562 56.562 56.125 0.437 17554 3357 1 6 . 1 1 93 93 ASN CB C 93 37.059 37.059 37.569 -0.510 17554 3358 1 6 . 1 1 93 93 ASN H H 93 9.117 9.117 8.562 0.555 17554 3359 1 6 . 1 1 94 94 GLN N N 94 119.980 119.980 118.859 1.121 17554 3360 1 6 . 1 1 94 94 GLN HA H 94 3.933 3.933 4.132 -0.199 17554 3361 1 6 . 1 1 94 94 GLN CA C 94 58.775 58.775 59.278 -0.503 17554 3362 1 6 . 1 1 94 94 GLN CB C 94 29.075 29.075 28.423 0.652 17554 3363 1 6 . 1 1 94 94 GLN H H 94 7.033 7.033 8.498 -1.465 17554 3364 1 6 . 1 1 95 95 ALA N N 95 120.823 120.823 122.860 -2.037 17554 3365 1 6 . 1 1 95 95 ALA HA H 95 3.761 3.761 4.037 -0.276 17554 3366 1 6 . 1 1 95 95 ALA CA C 95 55.680 55.680 55.162 0.518 17554 3367 1 6 . 1 1 95 95 ALA CB C 95 19.601 19.601 18.522 1.079 17554 3368 1 6 . 1 1 95 95 ALA H H 95 7.996 7.996 8.398 -0.402 17554 3369 1 6 . 1 1 96 96 ILE N N 96 116.250 116.250 120.291 -4.041 17554 3370 1 6 . 1 1 96 96 ILE HA H 96 3.420 3.420 3.553 -0.133 17554 3371 1 6 . 1 1 96 96 ILE CA C 96 65.611 65.611 66.129 -0.518 17554 3372 1 6 . 1 1 96 96 ILE CB C 96 37.869 37.869 37.941 -0.072 17554 3373 1 6 . 1 1 96 96 ILE H H 96 8.408 8.408 8.342 0.066 17554 3374 1 6 . 1 1 97 97 GLN N N 97 118.601 118.601 119.332 -0.731 17554 3375 1 6 . 1 1 97 97 GLN HA H 97 3.734 3.734 3.871 -0.137 17554 3376 1 6 . 1 1 97 97 GLN CA C 97 59.011 59.011 59.488 -0.477 17554 3377 1 6 . 1 1 97 97 GLN CB C 97 28.425 28.425 28.722 -0.297 17554 3378 1 6 . 1 1 97 97 GLN H H 97 7.767 7.767 8.148 -0.381 17554 3379 1 6 . 1 1 98 98 ALA N N 98 121.375 121.375 122.939 -1.564 17554 3380 1 6 . 1 1 98 98 ALA HA H 98 2.748 2.748 4.070 -1.322 17554 3381 1 6 . 1 1 98 98 ALA CA C 98 54.408 54.408 55.262 -0.854 17554 3382 1 6 . 1 1 98 98 ALA CB C 98 20.084 20.084 18.497 1.587 17554 3383 1 6 . 1 1 98 98 ALA H H 98 7.905 7.905 7.846 0.059 17554 3384 1 6 . 1 1 99 99 LEU N N 99 118.409 118.409 119.052 -0.643 17554 3385 1 6 . 1 1 99 99 LEU HA H 99 3.717 3.717 4.041 -0.324 17554 3386 1 6 . 1 1 99 99 LEU CA C 99 57.529 57.529 57.312 0.217 17554 3387 1 6 . 1 1 99 99 LEU CB C 99 40.714 40.714 41.409 -0.695 17554 3388 1 6 . 1 1 99 99 LEU H H 99 7.938 7.938 8.441 -0.503 17554 3389 1 6 . 1 1 100 100 ARG N N 100 119.771 119.771 119.495 0.276 17554 3390 1 6 . 1 1 100 100 ARG HA H 100 4.107 4.107 3.831 0.276 17554 3391 1 6 . 1 1 100 100 ARG CA C 100 59.182 59.182 59.568 -0.386 17554 3392 1 6 . 1 1 100 100 ARG CB C 100 30.021 30.021 29.895 0.126 17554 3393 1 6 . 1 1 100 100 ARG H H 100 8.248 8.248 8.444 -0.196 17554 3394 1 6 . 1 1 101 101 ALA N N 101 119.288 119.288 119.568 -0.280 17554 3395 1 6 . 1 1 101 101 ALA HA H 101 3.983 3.983 4.001 -0.018 17554 3396 1 6 . 1 1 101 101 ALA CA C 101 53.663 53.663 54.098 -0.435 17554 3397 1 6 . 1 1 101 101 ALA CB C 101 17.946 17.946 18.050 -0.104 17554 3398 1 6 . 1 1 101 101 ALA H H 101 7.324 7.324 7.412 -0.088 17554 3399 1 6 . 1 1 102 102 THR N N 102 105.233 105.233 107.496 -2.263 17554 3400 1 6 . 1 1 102 102 THR HA H 102 4.429 4.429 4.041 0.388 17554 3401 1 6 . 1 1 102 102 THR CA C 102 60.535 60.535 62.724 -2.189 17554 3402 1 6 . 1 1 102 102 THR CB C 102 71.036 71.036 69.465 1.571 17554 3403 1 6 . 1 1 102 102 THR H H 102 7.113 7.113 7.811 -0.698 17554 3404 1 6 . 1 1 103 103 ASN N N 103 119.293 119.293 118.789 0.504 17554 3405 1 6 . 1 1 103 103 ASN HA H 103 4.343 4.343 4.318 0.025 17554 3406 1 6 . 1 1 103 103 ASN CA C 103 54.462 54.462 54.312 0.150 17554 3407 1 6 . 1 1 103 103 ASN CB C 103 36.960 36.960 36.475 0.485 17554 3408 1 6 . 1 1 103 103 ASN H H 103 7.701 7.701 7.799 -0.098 17554 3409 1 6 . 1 1 104 104 ASN N N 104 108.274 108.274 110.122 -1.848 17554 3410 1 6 . 1 1 104 104 ASN HA H 104 3.956 3.956 4.284 -0.328 17554 3411 1 6 . 1 1 104 104 ASN CA C 104 54.757 54.757 54.476 0.281 17554 3412 1 6 . 1 1 104 104 ASN CB C 104 36.151 36.151 37.364 -1.213 17554 3413 1 6 . 1 1 104 104 ASN H H 104 9.048 9.048 8.812 0.236 17554 3414 1 6 . 1 1 105 105 ASN N N 105 118.458 118.458 118.185 0.273 17554 3415 1 6 . 1 1 105 105 ASN HA H 105 4.728 4.728 4.780 -0.052 17554 3416 1 6 . 1 1 105 105 ASN CA C 105 53.081 53.081 52.593 0.488 17554 3417 1 6 . 1 1 105 105 ASN CB C 105 40.405 40.405 39.428 0.976 17554 3418 1 6 . 1 1 105 105 ASN H H 105 7.061 7.061 7.584 -0.523 17554 3419 1 6 . 1 1 106 106 LEU N N 106 128.727 128.727 128.527 0.200 17554 3420 1 6 . 1 1 106 106 LEU HA H 106 3.732 3.732 4.012 -0.280 17554 3421 1 6 . 1 1 106 106 LEU CA C 106 59.307 59.307 59.055 0.252 17554 3422 1 6 . 1 1 106 106 LEU CB C 106 42.071 42.071 42.190 -0.119 17554 3423 1 6 . 1 1 106 106 LEU H H 106 8.718 8.718 8.595 0.123 17554 3424 1 6 . 1 1 107 107 GLU N N 107 117.325 117.325 117.970 -0.645 17554 3425 1 6 . 1 1 107 107 GLU HA H 107 3.890 3.890 3.949 -0.059 17554 3426 1 6 . 1 1 107 107 GLU CA C 107 60.871 60.871 59.754 1.117 17554 3427 1 6 . 1 1 107 107 GLU CB C 107 28.881 28.881 28.912 -0.031 17554 3428 1 6 . 1 1 107 107 GLU H H 107 8.390 8.390 8.350 0.040 17554 3429 1 6 . 1 1 108 108 ARG N N 108 117.912 117.912 119.954 -2.042 17554 3430 1 6 . 1 1 108 108 ARG HA H 108 4.265 4.265 4.156 0.109 17554 3431 1 6 . 1 1 108 108 ARG CA C 108 58.748 58.748 58.881 -0.133 17554 3432 1 6 . 1 1 108 108 ARG CB C 108 30.650 30.650 30.217 0.433 17554 3433 1 6 . 1 1 108 108 ARG H H 108 8.410 8.410 8.899 -0.489 17554 3434 1 6 . 1 1 109 109 ALA N N 109 127.124 127.124 123.413 3.711 17554 3435 1 6 . 1 1 109 109 ALA HA H 109 3.900 3.900 4.123 -0.223 17554 3436 1 6 . 1 1 109 109 ALA CA C 109 55.518 55.518 55.309 0.208 17554 3437 1 6 . 1 1 109 109 ALA CB C 109 17.772 17.772 18.369 -0.597 17554 3438 1 6 . 1 1 109 109 ALA H H 109 9.083 9.083 8.156 0.927 17554 3439 1 6 . 1 1 110 110 LEU N N 110 118.715 118.715 118.942 -0.227 17554 3440 1 6 . 1 1 110 110 LEU HA H 110 3.777 3.777 3.803 -0.026 17554 3441 1 6 . 1 1 110 110 LEU CA C 110 57.997 57.997 58.140 -0.143 17554 3442 1 6 . 1 1 110 110 LEU CB C 110 40.963 40.963 41.345 -0.382 17554 3443 1 6 . 1 1 110 110 LEU H H 110 8.215 8.215 8.215 0.000 17554 3444 1 6 . 1 1 111 111 ASP N N 111 118.516 118.516 119.970 -1.454 17554 3445 1 6 . 1 1 111 111 ASP HA H 111 4.484 4.484 4.349 0.135 17554 3446 1 6 . 1 1 111 111 ASP CA C 111 57.634 57.634 58.115 -0.481 17554 3447 1 6 . 1 1 111 111 ASP CB C 111 41.026 41.026 41.095 -0.069 17554 3448 1 6 . 1 1 111 111 ASP H H 111 7.400 7.400 8.242 -0.842 17554 3449 1 6 . 1 1 112 112 TRP N N 112 122.780 122.780 120.998 1.782 17554 3450 1 6 . 1 1 112 112 TRP HA H 112 4.097 4.097 4.388 -0.291 17554 3451 1 6 . 1 1 112 112 TRP CA C 112 62.365 62.365 60.414 1.951 17554 3452 1 6 . 1 1 112 112 TRP CB C 112 29.490 29.490 29.791 -0.301 17554 3453 1 6 . 1 1 112 112 TRP H H 112 8.525 8.525 8.384 0.141 17554 3454 1 6 . 1 1 113 113 ILE N N 113 122.469 122.469 118.396 4.073 17554 3455 1 6 . 1 1 113 113 ILE HA H 113 3.575 3.575 3.542 0.033 17554 3456 1 6 . 1 1 113 113 ILE CA C 113 66.239 66.239 64.767 1.472 17554 3457 1 6 . 1 1 113 113 ILE CB C 113 37.688 37.688 37.300 0.388 17554 3458 1 6 . 1 1 113 113 ILE H H 113 8.618 8.618 8.568 0.050 17554 3459 1 6 . 1 1 114 114 PHE N N 114 118.665 118.665 121.526 -2.861 17554 3460 1 6 . 1 1 114 114 PHE HA H 114 4.386 4.386 4.174 0.212 17554 3461 1 6 . 1 1 114 114 PHE CA C 114 60.111 60.111 60.842 -0.731 17554 3462 1 6 . 1 1 114 114 PHE CB C 114 38.344 38.344 39.117 -0.773 17554 3463 1 6 . 1 1 114 114 PHE H H 114 8.109 8.109 8.518 -0.409 17554 3464 1 6 . 1 1 115 115 SER N N 115 111.172 111.172 111.224 -0.052 17554 3465 1 6 . 1 1 115 115 SER HA H 115 4.333 4.333 4.215 0.118 17554 3466 1 6 . 1 1 115 115 SER CA C 115 58.593 58.593 59.728 -1.135 17554 3467 1 6 . 1 1 115 115 SER CB C 115 64.067 64.067 62.969 1.098 17554 3468 1 6 . 1 1 115 115 SER H H 115 7.723 7.723 7.398 0.325 17554 3469 1 6 . 1 1 116 116 HIS N N 116 119.686 119.686 120.070 -0.384 17554 3470 1 6 . 1 1 116 116 HIS HA H 116 4.749 4.749 5.206 -0.457 17554 3471 1 6 . 1 1 116 116 HIS CA C 116 54.476 54.476 52.411 2.065 17554 3472 1 6 . 1 1 116 116 HIS CB C 116 27.310 27.310 29.421 -2.111 17554 3473 1 6 . 1 1 116 116 HIS H H 116 7.407 7.407 7.481 -0.074 17554 3474 1 6 . 1 1 117 117 PRO HA H 117 4.465 4.465 3.887 0.578 17554 3475 1 6 . 1 1 117 117 PRO CA C 117 64.170 64.170 64.866 -0.696 17554 3476 1 6 . 1 1 117 117 PRO CB C 117 31.939 31.939 32.025 -0.086 17554 3477 1 6 . 1 1 118 118 GLU N N 118 119.986 119.986 113.560 6.426 17554 3478 1 6 . 1 1 118 118 GLU HA H 118 4.338 4.338 4.156 0.182 17554 3479 1 6 . 1 1 118 118 GLU CA C 118 56.440 56.440 56.201 0.239 17554 3480 1 6 . 1 1 118 118 GLU CB C 118 29.469 29.469 30.592 -1.123 17554 3481 1 6 . 1 1 118 118 GLU H H 118 8.667 8.667 8.182 0.485 17554 3482 1 6 . 1 1 119 119 PHE N N 119 121.581 121.581 115.989 5.592 17554 3483 1 6 . 1 1 119 119 PHE HA H 119 4.632 4.632 4.715 -0.083 17554 3484 1 6 . 1 1 119 119 PHE CA C 119 57.981 57.981 56.720 1.261 17554 3485 1 6 . 1 1 119 119 PHE CB C 119 39.805 39.805 39.626 0.179 17554 3486 1 6 . 1 1 119 119 PHE H H 119 8.054 8.054 7.699 0.355 17554 3487 1 6 . 1 1 120 120 GLU N N 120 123.882 123.882 118.225 5.657 17554 3488 1 6 . 1 1 120 120 GLU HA H 120 4.273 4.273 3.780 0.493 17554 3489 1 6 . 1 1 120 120 GLU CA C 120 56.127 56.127 57.347 -1.220 17554 3490 1 6 . 1 1 120 120 GLU CB C 120 30.789 30.789 29.290 1.499 17554 3491 1 6 . 1 1 120 120 GLU H H 120 8.264 8.264 7.351 0.913 17554 3492 1 6 . 1 1 121 121 GLU N N 121 122.504 122.504 119.508 2.996 17554 3493 1 6 . 1 1 121 121 GLU HA H 121 4.213 4.213 3.841 0.372 17554 3494 1 6 . 1 1 121 121 GLU CA C 121 56.634 56.634 57.410 -0.776 17554 3495 1 6 . 1 1 121 121 GLU CB C 121 30.580 30.580 29.398 1.181 17554 3496 1 6 . 1 1 121 121 GLU H H 121 8.398 8.398 8.409 -0.011 17554 3497 1 6 . 1 1 122 122 ASP N N 122 121.820 121.820 118.566 3.254 17554 3498 1 6 . 1 1 122 122 ASP HA H 122 4.627 4.627 4.707 -0.080 17554 3499 1 6 . 1 1 122 122 ASP CA C 122 54.443 54.443 53.303 1.140 17554 3500 1 6 . 1 1 122 122 ASP CB C 122 41.237 41.237 42.539 -1.302 17554 3501 1 6 . 1 1 122 122 ASP H H 122 8.478 8.478 8.371 0.107 17554 3502 1 6 . 1 1 123 123 SER N N 123 116.397 116.397 117.950 -1.553 17554 3503 1 6 . 1 1 123 123 SER HA H 123 4.392 4.392 4.535 -0.143 17554 3504 1 6 . 1 1 123 123 SER CA C 123 58.605 58.605 58.837 -0.232 17554 3505 1 6 . 1 1 123 123 SER CB C 123 64.064 64.064 63.834 0.230 17554 3506 1 6 . 1 1 123 123 SER H H 123 8.236 8.236 8.791 -0.555 17554 3507 1 6 . 1 1 124 124 ASP N N 124 122.070 122.070 121.560 0.510 17554 3508 1 6 . 1 1 124 124 ASP HA H 124 4.599 4.599 4.777 -0.178 17554 3509 1 6 . 1 1 124 124 ASP CA C 124 54.501 54.501 54.250 0.251 17554 3510 1 6 . 1 1 124 124 ASP CB C 124 41.106 41.106 41.187 -0.081 17554 3511 1 6 . 1 1 124 124 ASP H H 124 8.378 8.378 8.322 0.056 17554 3512 1 6 . 1 1 125 125 PHE N N 125 120.274 120.274 125.329 -5.055 17554 3513 1 6 . 1 1 125 125 PHE HA H 125 4.623 4.623 4.865 -0.242 17554 3514 1 6 . 1 1 125 125 PHE CA C 125 57.913 57.913 57.924 -0.011 17554 3515 1 6 . 1 1 125 125 PHE CB C 125 39.601 39.601 39.481 0.120 17554 3516 1 6 . 1 1 125 125 PHE H H 125 8.049 8.049 8.648 -0.599 17554 3517 1 7 . 1 1 2 2 ILE N N 2 117.266 117.266 122.837 -5.571 17554 3518 1 7 . 1 1 2 2 ILE HA H 2 3.919 3.919 4.455 -0.536 17554 3519 1 7 . 1 1 2 2 ILE CA C 2 60.653 60.653 61.660 -1.007 17554 3520 1 7 . 1 1 2 2 ILE CB C 2 41.029 41.029 38.427 2.602 17554 3521 1 7 . 1 1 2 2 ILE H H 2 7.746 7.746 7.824 -0.078 17554 3522 1 7 . 1 1 3 3 ASP N N 3 125.895 125.895 129.267 -3.372 17554 3523 1 7 . 1 1 3 3 ASP HA H 3 4.606 4.606 4.522 0.084 17554 3524 1 7 . 1 1 3 3 ASP CA C 3 54.349 54.349 54.099 0.250 17554 3525 1 7 . 1 1 3 3 ASP CB C 3 41.214 41.214 40.479 0.735 17554 3526 1 7 . 1 1 3 3 ASP H H 3 8.328 8.328 9.254 -0.926 17554 3527 1 7 . 1 1 4 4 GLU N N 4 128.620 128.620 124.006 4.614 17554 3528 1 7 . 1 1 4 4 GLU HA H 4 3.948 3.948 4.055 -0.107 17554 3529 1 7 . 1 1 4 4 GLU CA C 4 58.981 58.981 58.596 0.385 17554 3530 1 7 . 1 1 4 4 GLU CB C 4 29.631 29.631 29.691 -0.059 17554 3531 1 7 . 1 1 4 4 GLU H H 4 8.991 8.991 8.050 0.941 17554 3532 1 7 . 1 1 5 5 SER N N 5 115.342 115.342 115.343 -0.001 17554 3533 1 7 . 1 1 5 5 SER HA H 5 4.254 4.254 4.112 0.142 17554 3534 1 7 . 1 1 5 5 SER CA C 5 61.961 61.961 62.146 -0.185 17554 3535 1 7 . 1 1 5 5 SER CB C 5 62.222 62.222 62.814 -0.592 17554 3536 1 7 . 1 1 5 5 SER H H 5 8.634 8.634 8.552 0.082 17554 3537 1 7 . 1 1 6 6 SER N N 6 119.418 119.418 117.582 1.836 17554 3538 1 7 . 1 1 6 6 SER HA H 6 4.354 4.354 4.202 0.152 17554 3539 1 7 . 1 1 6 6 SER CA C 6 61.729 61.729 61.769 -0.040 17554 3540 1 7 . 1 1 6 6 SER CB C 6 63.366 63.366 62.958 0.408 17554 3541 1 7 . 1 1 6 6 SER H H 6 7.670 7.670 7.721 -0.051 17554 3542 1 7 . 1 1 7 7 VAL N N 7 120.774 120.774 123.301 -2.527 17554 3543 1 7 . 1 1 7 7 VAL HA H 7 3.234 3.234 3.905 -0.671 17554 3544 1 7 . 1 1 7 7 VAL CA C 7 67.151 67.151 65.182 1.969 17554 3545 1 7 . 1 1 7 7 VAL CB C 7 31.792 31.792 31.782 0.010 17554 3546 1 7 . 1 1 7 7 VAL H H 7 7.286 7.286 7.817 -0.531 17554 3547 1 7 . 1 1 8 8 MET N N 8 116.159 116.159 118.616 -2.457 17554 3548 1 7 . 1 1 8 8 MET HA H 8 4.356 4.356 4.048 0.308 17554 3549 1 7 . 1 1 8 8 MET CA C 8 57.482 57.482 59.751 -2.269 17554 3550 1 7 . 1 1 8 8 MET CB C 8 31.341 31.341 32.106 -0.765 17554 3551 1 7 . 1 1 8 8 MET H H 8 8.244 8.244 8.600 -0.356 17554 3552 1 7 . 1 1 9 9 GLN N N 9 119.708 119.708 119.315 0.393 17554 3553 1 7 . 1 1 9 9 GLN HA H 9 4.101 4.101 4.046 0.055 17554 3554 1 7 . 1 1 9 9 GLN CA C 9 59.331 59.331 58.793 0.538 17554 3555 1 7 . 1 1 9 9 GLN CB C 9 28.880 28.880 28.619 0.261 17554 3556 1 7 . 1 1 9 9 GLN H H 9 7.855 7.855 7.760 0.095 17554 3557 1 7 . 1 1 10 10 LEU N N 10 118.986 118.986 119.334 -0.348 17554 3558 1 7 . 1 1 10 10 LEU HA H 10 4.463 4.463 4.108 0.355 17554 3559 1 7 . 1 1 10 10 LEU CA C 10 57.438 57.438 57.376 0.062 17554 3560 1 7 . 1 1 10 10 LEU CB C 10 42.943 42.943 41.754 1.189 17554 3561 1 7 . 1 1 10 10 LEU H H 10 7.432 7.432 7.617 -0.185 17554 3562 1 7 . 1 1 11 11 ALA N N 11 125.146 125.146 121.743 3.403 17554 3563 1 7 . 1 1 11 11 ALA HA H 11 4.411 4.411 4.457 -0.046 17554 3564 1 7 . 1 1 11 11 ALA CA C 11 55.259 55.259 54.591 0.668 17554 3565 1 7 . 1 1 11 11 ALA CB C 11 17.734 17.734 18.636 -0.902 17554 3566 1 7 . 1 1 11 11 ALA H H 11 8.797 8.797 8.423 0.374 17554 3567 1 7 . 1 1 12 12 GLU N N 12 119.871 119.871 116.669 3.202 17554 3568 1 7 . 1 1 12 12 GLU HA H 12 4.117 4.117 4.135 -0.018 17554 3569 1 7 . 1 1 12 12 GLU CA C 12 58.473 58.473 58.496 -0.023 17554 3570 1 7 . 1 1 12 12 GLU CB C 12 29.531 29.531 29.521 0.010 17554 3571 1 7 . 1 1 12 12 GLU H H 12 8.178 8.178 8.611 -0.433 17554 3572 1 7 . 1 1 13 13 MET N N 13 116.292 116.292 111.590 4.702 17554 3573 1 7 . 1 1 13 13 MET HA H 13 4.296 4.296 4.567 -0.271 17554 3574 1 7 . 1 1 13 13 MET CA C 13 56.797 56.797 55.544 1.253 17554 3575 1 7 . 1 1 13 13 MET CB C 13 33.221 33.221 33.478 -0.257 17554 3576 1 7 . 1 1 13 13 MET H H 13 7.619 7.619 7.338 0.281 17554 3577 1 7 . 1 1 14 14 GLY N N 14 104.580 104.580 108.304 -3.724 17554 3578 1 7 . 1 1 14 14 GLY CA C 14 44.860 44.860 45.107 -0.247 17554 3579 1 7 . 1 1 14 14 GLY H H 14 7.873 7.873 7.608 0.265 17554 3580 1 7 . 1 1 15 15 PHE N N 15 118.802 118.802 119.239 -0.437 17554 3581 1 7 . 1 1 15 15 PHE HA H 15 5.017 5.017 5.079 -0.062 17554 3582 1 7 . 1 1 15 15 PHE CA C 15 56.352 56.352 54.304 2.048 17554 3583 1 7 . 1 1 15 15 PHE CB C 15 39.395 39.395 40.585 -1.190 17554 3584 1 7 . 1 1 15 15 PHE H H 15 6.623 6.623 7.532 -0.909 17554 3585 1 7 . 1 1 16 16 PRO HA H 16 4.530 4.530 4.488 0.042 17554 3586 1 7 . 1 1 16 16 PRO CA C 16 63.064 63.064 63.115 -0.051 17554 3587 1 7 . 1 1 16 16 PRO CB C 16 32.293 32.293 30.518 1.775 17554 3588 1 7 . 1 1 17 17 LEU N N 17 128.389 128.389 126.064 2.325 17554 3589 1 7 . 1 1 17 17 LEU HA H 17 3.945 3.945 4.467 -0.522 17554 3590 1 7 . 1 1 17 17 LEU CA C 17 59.601 59.601 54.172 5.429 17554 3591 1 7 . 1 1 17 17 LEU CB C 17 42.248 42.248 39.754 2.494 17554 3592 1 7 . 1 1 17 17 LEU H H 17 9.041 9.041 8.367 0.674 17554 3593 1 7 . 1 1 18 18 GLU N N 18 114.837 114.837 124.393 -9.556 17554 3594 1 7 . 1 1 18 18 GLU HA H 18 4.067 4.067 3.987 0.080 17554 3595 1 7 . 1 1 18 18 GLU CA C 18 59.139 59.139 59.496 -0.357 17554 3596 1 7 . 1 1 18 18 GLU CB C 18 28.874 28.874 29.562 -0.688 17554 3597 1 7 . 1 1 18 18 GLU H H 18 9.267 9.267 8.663 0.604 17554 3598 1 7 . 1 1 19 19 ALA N N 19 119.137 119.137 122.022 -2.885 17554 3599 1 7 . 1 1 19 19 ALA HA H 19 3.918 3.918 4.229 -0.311 17554 3600 1 7 . 1 1 19 19 ALA CA C 19 54.872 54.872 55.201 -0.329 17554 3601 1 7 . 1 1 19 19 ALA CB C 19 17.972 17.972 18.166 -0.194 17554 3602 1 7 . 1 1 19 19 ALA H H 19 6.838 6.838 8.063 -1.225 17554 3603 1 7 . 1 1 20 20 CYS N N 20 116.877 116.877 117.426 -0.549 17554 3604 1 7 . 1 1 20 20 CYS HA H 20 3.891 3.891 4.252 -0.361 17554 3605 1 7 . 1 1 20 20 CYS CA C 20 63.356 63.356 62.372 0.984 17554 3606 1 7 . 1 1 20 20 CYS CB C 20 28.018 28.018 27.559 0.459 17554 3607 1 7 . 1 1 20 20 CYS H H 20 7.610 7.610 8.294 -0.684 17554 3608 1 7 . 1 1 21 21 ARG N N 21 117.434 117.434 120.838 -3.404 17554 3609 1 7 . 1 1 21 21 ARG HA H 21 3.696 3.696 3.934 -0.238 17554 3610 1 7 . 1 1 21 21 ARG CA C 21 60.192 60.192 59.998 0.194 17554 3611 1 7 . 1 1 21 21 ARG CB C 21 30.175 30.175 30.251 -0.076 17554 3612 1 7 . 1 1 21 21 ARG H H 21 7.965 7.965 7.823 0.142 17554 3613 1 7 . 1 1 22 22 LYS N N 22 117.667 117.667 117.649 0.018 17554 3614 1 7 . 1 1 22 22 LYS HA H 22 3.412 3.412 4.246 -0.834 17554 3615 1 7 . 1 1 22 22 LYS CA C 22 60.181 60.181 59.023 1.158 17554 3616 1 7 . 1 1 22 22 LYS CB C 22 32.085 32.085 32.147 -0.062 17554 3617 1 7 . 1 1 22 22 LYS H H 22 7.392 7.392 8.564 -1.172 17554 3618 1 7 . 1 1 23 23 ALA N N 23 120.670 120.670 123.788 -3.118 17554 3619 1 7 . 1 1 23 23 ALA HA H 23 3.015 3.015 4.207 -1.192 17554 3620 1 7 . 1 1 23 23 ALA CA C 23 54.845 54.845 54.904 -0.059 17554 3621 1 7 . 1 1 23 23 ALA CB C 23 19.900 19.900 18.335 1.565 17554 3622 1 7 . 1 1 23 23 ALA H H 23 8.043 8.043 7.756 0.287 17554 3623 1 7 . 1 1 24 24 VAL N N 24 117.629 117.629 120.087 -2.458 17554 3624 1 7 . 1 1 24 24 VAL HA H 24 3.510 3.510 3.608 -0.098 17554 3625 1 7 . 1 1 24 24 VAL CA C 24 65.665 65.665 66.867 -1.202 17554 3626 1 7 . 1 1 24 24 VAL CB C 24 32.009 32.009 31.669 0.340 17554 3627 1 7 . 1 1 24 24 VAL H H 24 7.381 7.381 8.832 -1.451 17554 3628 1 7 . 1 1 25 25 TYR N N 25 120.392 120.392 121.308 -0.916 17554 3629 1 7 . 1 1 25 25 TYR HA H 25 3.860 3.860 4.125 -0.265 17554 3630 1 7 . 1 1 25 25 TYR CA C 25 62.098 62.098 61.496 0.602 17554 3631 1 7 . 1 1 25 25 TYR CB C 25 38.735 38.735 38.585 0.150 17554 3632 1 7 . 1 1 25 25 TYR H H 25 8.029 8.029 7.805 0.224 17554 3633 1 7 . 1 1 26 26 PHE N N 26 116.460 116.460 120.316 -3.856 17554 3634 1 7 . 1 1 26 26 PHE HA H 26 4.181 4.181 4.091 0.090 17554 3635 1 7 . 1 1 26 26 PHE CA C 26 60.345 60.345 60.736 -0.391 17554 3636 1 7 . 1 1 26 26 PHE CB C 26 37.917 37.917 39.179 -1.262 17554 3637 1 7 . 1 1 26 26 PHE H H 26 9.102 9.102 8.285 0.817 17554 3638 1 7 . 1 1 27 27 THR N N 27 106.212 106.212 109.305 -3.093 17554 3639 1 7 . 1 1 27 27 THR HA H 27 4.477 4.477 3.766 0.711 17554 3640 1 7 . 1 1 27 27 THR CA C 27 61.195 61.195 62.493 -1.298 17554 3641 1 7 . 1 1 27 27 THR CB C 27 69.061 69.061 69.093 -0.032 17554 3642 1 7 . 1 1 27 27 THR H H 27 7.050 7.050 8.027 -0.977 17554 3643 1 7 . 1 1 28 28 GLY N N 28 107.275 107.275 109.756 -2.481 17554 3644 1 7 . 1 1 28 28 GLY CA C 28 46.575 46.575 44.909 1.666 17554 3645 1 7 . 1 1 28 28 GLY H H 28 7.278 7.278 7.331 -0.053 17554 3646 1 7 . 1 1 29 29 ASN N N 29 118.189 118.189 115.359 2.830 17554 3647 1 7 . 1 1 29 29 ASN HA H 29 4.342 4.342 4.293 0.049 17554 3648 1 7 . 1 1 29 29 ASN CA C 29 53.614 53.614 54.288 -0.674 17554 3649 1 7 . 1 1 29 29 ASN CB C 29 37.302 37.302 36.873 0.429 17554 3650 1 7 . 1 1 29 29 ASN H H 29 8.704 8.704 8.572 0.132 17554 3651 1 7 . 1 1 30 30 MET N N 30 119.241 119.241 118.726 0.515 17554 3652 1 7 . 1 1 30 30 MET HA H 30 4.791 4.791 4.536 0.255 17554 3653 1 7 . 1 1 30 30 MET CA C 30 53.943 53.943 53.500 0.443 17554 3654 1 7 . 1 1 30 30 MET CB C 30 33.263 33.263 31.371 1.892 17554 3655 1 7 . 1 1 30 30 MET H H 30 8.921 8.921 7.468 1.453 17554 3656 1 7 . 1 1 31 31 GLY N N 31 109.623 109.623 107.125 2.498 17554 3657 1 7 . 1 1 31 31 GLY CA C 31 44.151 44.151 44.629 -0.478 17554 3658 1 7 . 1 1 31 31 GLY H H 31 8.349 8.349 7.717 0.632 17554 3659 1 7 . 1 1 32 32 ALA N N 32 121.096 121.096 122.714 -1.618 17554 3660 1 7 . 1 1 32 32 ALA HA H 32 3.980 3.980 4.121 -0.141 17554 3661 1 7 . 1 1 32 32 ALA CA C 32 55.192 55.192 54.588 0.604 17554 3662 1 7 . 1 1 32 32 ALA CB C 32 19.058 19.058 18.971 0.087 17554 3663 1 7 . 1 1 32 32 ALA H H 32 8.899 8.899 8.589 0.310 17554 3664 1 7 . 1 1 33 33 GLU N N 33 119.428 119.428 119.004 0.424 17554 3665 1 7 . 1 1 33 33 GLU HA H 33 4.095 4.095 4.122 -0.027 17554 3666 1 7 . 1 1 33 33 GLU CA C 33 60.864 60.864 59.383 1.480 17554 3667 1 7 . 1 1 33 33 GLU CB C 33 28.661 28.661 28.839 -0.178 17554 3668 1 7 . 1 1 33 33 GLU H H 33 8.705 8.705 8.477 0.228 17554 3669 1 7 . 1 1 34 34 VAL N N 34 117.216 117.216 119.691 -2.475 17554 3670 1 7 . 1 1 34 34 VAL HA H 34 4.062 4.062 3.858 0.204 17554 3671 1 7 . 1 1 34 34 VAL CA C 34 65.178 65.178 66.343 -1.165 17554 3672 1 7 . 1 1 34 34 VAL CB C 34 31.684 31.684 31.345 0.340 17554 3673 1 7 . 1 1 34 34 VAL H H 34 8.178 8.178 7.623 0.555 17554 3674 1 7 . 1 1 35 35 ALA N N 35 123.635 123.635 122.672 0.963 17554 3675 1 7 . 1 1 35 35 ALA HA H 35 4.289 4.289 4.327 -0.038 17554 3676 1 7 . 1 1 35 35 ALA CA C 35 54.787 54.787 54.908 -0.121 17554 3677 1 7 . 1 1 35 35 ALA CB C 35 19.794 19.794 18.297 1.497 17554 3678 1 7 . 1 1 35 35 ALA H H 35 7.178 7.178 7.613 -0.435 17554 3679 1 7 . 1 1 36 36 PHE N N 36 120.976 120.976 121.168 -0.192 17554 3680 1 7 . 1 1 36 36 PHE HA H 36 4.079 4.079 4.195 -0.116 17554 3681 1 7 . 1 1 36 36 PHE CA C 36 61.339 61.339 61.318 0.021 17554 3682 1 7 . 1 1 36 36 PHE CB C 36 38.952 38.952 39.400 -0.448 17554 3683 1 7 . 1 1 36 36 PHE H H 36 8.832 8.832 8.884 -0.052 17554 3684 1 7 . 1 1 37 37 ASN N N 37 114.823 114.823 118.057 -3.234 17554 3685 1 7 . 1 1 37 37 ASN HA H 37 4.318 4.318 4.303 0.015 17554 3686 1 7 . 1 1 37 37 ASN CA C 37 56.379 56.379 56.597 -0.218 17554 3687 1 7 . 1 1 37 37 ASN CB C 37 38.288 38.288 38.612 -0.324 17554 3688 1 7 . 1 1 37 37 ASN H H 37 7.591 7.591 8.443 -0.852 17554 3689 1 7 . 1 1 38 38 TRP N N 38 119.984 119.984 120.602 -0.618 17554 3690 1 7 . 1 1 38 38 TRP HA H 38 4.191 4.191 4.447 -0.256 17554 3691 1 7 . 1 1 38 38 TRP CA C 38 62.279 62.279 60.538 1.741 17554 3692 1 7 . 1 1 38 38 TRP CB C 38 30.545 30.545 29.868 0.677 17554 3693 1 7 . 1 1 38 38 TRP H H 38 7.630 7.630 8.269 -0.639 17554 3694 1 7 . 1 1 39 39 ILE N N 39 121.183 121.183 119.885 1.298 17554 3695 1 7 . 1 1 39 39 ILE HA H 39 3.647 3.647 3.853 -0.206 17554 3696 1 7 . 1 1 39 39 ILE CA C 39 65.651 65.651 62.372 3.279 17554 3697 1 7 . 1 1 39 39 ILE CB C 39 36.375 36.375 38.042 -1.667 17554 3698 1 7 . 1 1 39 39 ILE H H 39 8.017 8.017 7.811 0.206 17554 3699 1 7 . 1 1 40 40 ILE N N 40 115.084 115.084 117.153 -2.069 17554 3700 1 7 . 1 1 40 40 ILE HA H 40 3.665 3.665 3.760 -0.095 17554 3701 1 7 . 1 1 40 40 ILE CA C 40 63.224 63.224 64.184 -0.961 17554 3702 1 7 . 1 1 40 40 ILE CB C 40 36.681 36.681 37.356 -0.675 17554 3703 1 7 . 1 1 40 40 ILE H H 40 7.474 7.474 7.505 -0.031 17554 3704 1 7 . 1 1 41 41 VAL N N 41 116.045 116.045 119.459 -3.414 17554 3705 1 7 . 1 1 41 41 VAL HA H 41 3.661 3.661 3.607 0.054 17554 3706 1 7 . 1 1 41 41 VAL CA C 41 64.452 64.452 65.562 -1.110 17554 3707 1 7 . 1 1 41 41 VAL CB C 41 32.156 32.156 31.476 0.680 17554 3708 1 7 . 1 1 41 41 VAL H H 41 7.054 7.054 7.349 -0.295 17554 3709 1 7 . 1 1 42 42 HIS N N 42 115.595 115.595 115.988 -0.393 17554 3710 1 7 . 1 1 42 42 HIS HA H 42 4.098 4.098 4.533 -0.435 17554 3711 1 7 . 1 1 42 42 HIS CA C 42 57.365 57.365 55.675 1.690 17554 3712 1 7 . 1 1 42 42 HIS CB C 42 28.251 28.251 29.409 -1.158 17554 3713 1 7 . 1 1 42 42 HIS H H 42 7.353 7.353 7.464 -0.111 17554 3714 1 7 . 1 1 43 43 MET N N 43 117.495 117.495 117.299 0.196 17554 3715 1 7 . 1 1 43 43 MET HA H 43 2.064 2.064 4.197 -2.133 17554 3716 1 7 . 1 1 43 43 MET CA C 43 57.980 57.980 58.121 -0.141 17554 3717 1 7 . 1 1 43 43 MET CB C 43 32.258 32.258 31.788 0.470 17554 3718 1 7 . 1 1 43 43 MET H H 43 7.373 7.373 7.260 0.113 17554 3719 1 7 . 1 1 44 44 GLU N N 44 116.844 116.844 116.316 0.528 17554 3720 1 7 . 1 1 44 44 GLU HA H 44 4.346 4.346 4.204 0.142 17554 3721 1 7 . 1 1 44 44 GLU CA C 44 55.838 55.838 55.970 -0.132 17554 3722 1 7 . 1 1 44 44 GLU CB C 44 29.351 29.351 28.825 0.526 17554 3723 1 7 . 1 1 44 44 GLU H H 44 8.102 8.102 8.068 0.034 17554 3724 1 7 . 1 1 45 45 GLU N N 45 121.925 121.925 121.427 0.498 17554 3725 1 7 . 1 1 45 45 GLU HA H 45 4.426 4.426 4.760 -0.334 17554 3726 1 7 . 1 1 45 45 GLU CA C 45 55.141 55.141 53.559 1.582 17554 3727 1 7 . 1 1 45 45 GLU CB C 45 28.513 28.513 29.545 -1.032 17554 3728 1 7 . 1 1 45 45 GLU H H 45 7.853 7.853 7.474 0.379 17554 3729 1 7 . 1 1 46 46 PRO HA H 46 4.440 4.440 4.151 0.289 17554 3730 1 7 . 1 1 46 46 PRO CA C 46 65.070 65.070 65.505 -0.435 17554 3731 1 7 . 1 1 46 46 PRO CB C 46 31.850 31.850 32.143 -0.293 17554 3732 1 7 . 1 1 47 47 ASP N N 47 115.051 115.051 117.815 -2.764 17554 3733 1 7 . 1 1 47 47 ASP HA H 47 4.686 4.686 4.517 0.169 17554 3734 1 7 . 1 1 47 47 ASP CA C 47 52.841 52.841 54.977 -2.136 17554 3735 1 7 . 1 1 47 47 ASP CB C 47 39.711 39.711 40.321 -0.610 17554 3736 1 7 . 1 1 47 47 ASP H H 47 8.437 8.437 8.757 -0.320 17554 3737 1 7 . 1 1 48 48 PHE N N 48 122.693 122.693 117.374 5.319 17554 3738 1 7 . 1 1 48 48 PHE HA H 48 4.522 4.522 4.345 0.177 17554 3739 1 7 . 1 1 48 48 PHE CA C 48 60.887 60.887 59.055 1.832 17554 3740 1 7 . 1 1 48 48 PHE CB C 48 40.495 40.495 38.862 1.633 17554 3741 1 7 . 1 1 48 48 PHE H H 48 7.695 7.695 8.163 -0.468 17554 3742 1 7 . 1 1 49 49 ALA N N 49 117.185 117.185 121.022 -3.837 17554 3743 1 7 . 1 1 49 49 ALA HA H 49 4.099 4.099 4.719 -0.620 17554 3744 1 7 . 1 1 49 49 ALA CA C 49 51.211 51.211 50.615 0.596 17554 3745 1 7 . 1 1 49 49 ALA CB C 49 19.067 19.067 19.526 -0.460 17554 3746 1 7 . 1 1 49 49 ALA H H 49 8.643 8.643 7.222 1.421 17554 3747 1 7 . 1 1 50 50 GLU N N 50 119.707 119.707 123.566 -3.859 17554 3748 1 7 . 1 1 50 50 GLU HA H 50 4.412 4.412 4.141 0.271 17554 3749 1 7 . 1 1 50 50 GLU CA C 50 54.755 54.755 55.476 -0.721 17554 3750 1 7 . 1 1 50 50 GLU CB C 50 29.274 29.274 29.277 -0.003 17554 3751 1 7 . 1 1 50 50 GLU H H 50 7.412 7.412 8.188 -0.776 17554 3752 1 7 . 1 1 51 51 PRO HA H 51 4.315 4.315 4.517 -0.202 17554 3753 1 7 . 1 1 51 51 PRO CA C 51 62.863 62.863 62.400 0.463 17554 3754 1 7 . 1 1 51 51 PRO CB C 51 32.408 32.408 30.568 1.840 17554 3755 1 7 . 1 1 52 52 LEU N N 52 123.507 123.507 124.164 -0.657 17554 3756 1 7 . 1 1 52 52 LEU HA H 52 4.210 4.210 4.621 -0.411 17554 3757 1 7 . 1 1 52 52 LEU CA C 52 55.217 55.217 55.292 -0.075 17554 3758 1 7 . 1 1 52 52 LEU CB C 52 42.918 42.918 42.919 -0.001 17554 3759 1 7 . 1 1 52 52 LEU H H 52 8.475 8.475 7.967 0.508 17554 3760 1 7 . 1 1 53 53 THR N N 53 119.005 119.005 119.693 -0.688 17554 3761 1 7 . 1 1 53 53 THR HA H 53 4.292 4.292 4.107 0.185 17554 3762 1 7 . 1 1 53 53 THR CA C 53 61.478 61.478 62.978 -1.500 17554 3763 1 7 . 1 1 53 53 THR CB C 53 69.752 69.752 68.816 0.936 17554 3764 1 7 . 1 1 53 53 THR H H 53 8.371 8.371 8.422 -0.051 17554 3765 1 7 . 1 1 54 54 MET N N 54 124.439 124.439 123.835 0.604 17554 3766 1 7 . 1 1 54 54 MET HA H 54 4.651 4.651 4.616 0.035 17554 3767 1 7 . 1 1 54 54 MET CA C 54 53.235 53.235 52.474 0.761 17554 3768 1 7 . 1 1 54 54 MET CB C 54 32.605 32.605 31.430 1.175 17554 3769 1 7 . 1 1 54 54 MET H H 54 8.264 8.264 8.464 -0.200 17554 3770 1 7 . 1 1 55 55 PRO HA H 55 4.368 4.368 4.715 -0.347 17554 3771 1 7 . 1 1 55 55 PRO CA C 55 63.668 63.668 62.045 1.623 17554 3772 1 7 . 1 1 55 55 PRO CB C 55 32.038 32.038 33.277 -1.239 17554 3773 1 7 . 1 1 56 56 GLY N N 56 109.663 109.663 107.108 2.555 17554 3774 1 7 . 1 1 56 56 GLY CA C 56 45.314 45.314 44.982 0.332 17554 3775 1 7 . 1 1 56 56 GLY H H 56 8.461 8.461 8.129 0.332 17554 3776 1 7 . 1 1 57 57 TYR N N 57 120.317 120.317 121.563 -1.246 17554 3777 1 7 . 1 1 57 57 TYR HA H 57 4.528 4.528 4.536 -0.008 17554 3778 1 7 . 1 1 57 57 TYR CA C 57 58.132 58.132 58.014 0.118 17554 3779 1 7 . 1 1 57 57 TYR CB C 57 38.958 38.958 38.758 0.200 17554 3780 1 7 . 1 1 57 57 TYR H H 57 8.033 8.033 8.567 -0.534 17554 3781 1 7 . 1 1 58 58 GLY N N 58 111.694 111.694 115.368 -3.674 17554 3782 1 7 . 1 1 58 58 GLY CA C 58 45.489 45.489 44.487 1.002 17554 3783 1 7 . 1 1 58 58 GLY H H 58 8.423 8.423 8.278 0.145 17554 3784 1 7 . 1 1 59 59 GLY N N 59 108.403 108.403 109.098 -0.695 17554 3785 1 7 . 1 1 59 59 GLY CA C 59 45.210 45.210 44.246 0.964 17554 3786 1 7 . 1 1 59 59 GLY H H 59 7.871 7.871 8.084 -0.213 17554 3787 1 7 . 1 1 60 60 ALA N N 60 123.835 123.835 126.794 -2.959 17554 3788 1 7 . 1 1 60 60 ALA HA H 60 4.294 4.294 4.126 0.168 17554 3789 1 7 . 1 1 60 60 ALA CA C 60 52.710 52.710 54.495 -1.785 17554 3790 1 7 . 1 1 60 60 ALA CB C 60 19.353 19.353 19.051 0.302 17554 3791 1 7 . 1 1 60 60 ALA H H 60 8.207 8.207 8.221 -0.014 17554 3792 1 7 . 1 1 61 61 ALA N N 61 123.032 123.032 118.848 4.184 17554 3793 1 7 . 1 1 61 61 ALA HA H 61 4.316 4.316 4.295 0.021 17554 3794 1 7 . 1 1 61 61 ALA CA C 61 52.751 52.751 52.013 0.738 17554 3795 1 7 . 1 1 61 61 ALA CB C 61 19.096 19.096 19.208 -0.112 17554 3796 1 7 . 1 1 61 61 ALA H H 61 8.331 8.331 8.169 0.162 17554 3797 1 7 . 1 1 62 62 SER N N 62 114.625 114.625 115.691 -1.066 17554 3798 1 7 . 1 1 62 62 SER HA H 62 4.406 4.406 4.612 -0.206 17554 3799 1 7 . 1 1 62 62 SER CA C 62 58.283 58.283 57.010 1.273 17554 3800 1 7 . 1 1 62 62 SER CB C 62 63.858 63.858 63.566 0.292 17554 3801 1 7 . 1 1 62 62 SER H H 62 8.158 8.158 7.914 0.244 17554 3802 1 7 . 1 1 63 63 ALA N N 63 125.890 125.890 128.990 -3.100 17554 3803 1 7 . 1 1 63 63 ALA HA H 63 4.314 4.314 4.507 -0.193 17554 3804 1 7 . 1 1 63 63 ALA CA C 63 52.926 52.926 52.566 0.359 17554 3805 1 7 . 1 1 63 63 ALA CB C 63 19.216 19.216 19.714 -0.498 17554 3806 1 7 . 1 1 63 63 ALA H H 63 8.294 8.294 8.448 -0.154 17554 3807 1 7 . 1 1 64 64 GLY N N 64 107.980 107.980 103.945 4.035 17554 3808 1 7 . 1 1 64 64 GLY CA C 64 45.324 45.324 45.123 0.201 17554 3809 1 7 . 1 1 64 64 GLY H H 64 8.321 8.321 8.003 0.318 17554 3810 1 7 . 1 1 65 65 ALA N N 65 123.524 123.524 122.387 1.137 17554 3811 1 7 . 1 1 65 65 ALA HA H 65 4.330 4.330 4.676 -0.346 17554 3812 1 7 . 1 1 65 65 ALA CA C 65 52.589 52.589 52.110 0.479 17554 3813 1 7 . 1 1 65 65 ALA CB C 65 19.438 19.438 18.307 1.131 17554 3814 1 7 . 1 1 65 65 ALA H H 65 8.088 8.088 7.874 0.214 17554 3815 1 7 . 1 1 66 66 SER N N 66 115.072 115.072 113.977 1.095 17554 3816 1 7 . 1 1 66 66 SER HA H 66 4.442 4.442 4.673 -0.231 17554 3817 1 7 . 1 1 66 66 SER CA C 66 58.334 58.334 58.821 -0.486 17554 3818 1 7 . 1 1 66 66 SER CB C 66 63.804 63.804 63.683 0.121 17554 3819 1 7 . 1 1 66 66 SER H H 66 8.297 8.297 8.151 0.146 17554 3820 1 7 . 1 1 67 67 VAL N N 67 121.228 121.228 125.412 -4.184 17554 3821 1 7 . 1 1 67 67 VAL HA H 67 4.075 4.075 4.066 0.009 17554 3822 1 7 . 1 1 67 67 VAL CA C 67 62.417 62.417 62.959 -0.542 17554 3823 1 7 . 1 1 67 67 VAL CB C 67 32.611 32.611 30.582 2.029 17554 3824 1 7 . 1 1 67 67 VAL H H 67 8.007 8.007 7.552 0.455 17554 3825 1 7 . 1 1 68 68 PHE N N 68 123.068 123.068 124.375 -1.307 17554 3826 1 7 . 1 1 68 68 PHE HA H 68 4.618 4.618 4.898 -0.280 17554 3827 1 7 . 1 1 68 68 PHE CA C 68 57.981 57.981 56.781 1.200 17554 3828 1 7 . 1 1 68 68 PHE CB C 68 39.618 39.618 39.716 -0.098 17554 3829 1 7 . 1 1 68 68 PHE H H 68 8.255 8.255 7.400 0.855 17554 3830 1 7 . 1 1 69 69 GLY N N 69 110.709 110.709 112.126 -1.417 17554 3831 1 7 . 1 1 69 69 GLY CA C 69 45.339 45.339 44.572 0.767 17554 3832 1 7 . 1 1 69 69 GLY H H 69 8.234 8.234 8.584 -0.350 17554 3833 1 7 . 1 1 70 70 ALA N N 70 123.857 123.857 126.371 -2.514 17554 3834 1 7 . 1 1 70 70 ALA HA H 70 4.348 4.348 4.375 -0.027 17554 3835 1 7 . 1 1 70 70 ALA CA C 70 52.626 52.626 51.724 0.902 17554 3836 1 7 . 1 1 70 70 ALA CB C 70 19.386 19.386 19.750 -0.364 17554 3837 1 7 . 1 1 70 70 ALA H H 70 8.140 8.140 8.221 -0.081 17554 3838 1 7 . 1 1 71 71 SER N N 71 115.019 115.019 116.716 -1.697 17554 3839 1 7 . 1 1 71 71 SER HA H 71 4.441 4.441 4.299 0.142 17554 3840 1 7 . 1 1 71 71 SER CA C 71 58.592 58.592 59.543 -0.951 17554 3841 1 7 . 1 1 71 71 SER CB C 71 63.975 63.975 63.520 0.455 17554 3842 1 7 . 1 1 71 71 SER H H 71 8.379 8.379 8.526 -0.147 17554 3843 1 7 . 1 1 72 72 GLY N N 72 110.640 110.640 109.963 0.677 17554 3844 1 7 . 1 1 72 72 GLY CA C 72 45.546 45.546 45.291 0.255 17554 3845 1 7 . 1 1 72 72 GLY H H 72 8.395 8.395 7.752 0.643 17554 3846 1 7 . 1 1 73 73 LEU N N 73 121.191 121.191 126.892 -5.701 17554 3847 1 7 . 1 1 73 73 LEU HA H 73 4.319 4.319 4.433 -0.114 17554 3848 1 7 . 1 1 73 73 LEU CA C 73 55.292 55.292 54.342 0.950 17554 3849 1 7 . 1 1 73 73 LEU CB C 73 42.355 42.355 41.091 1.264 17554 3850 1 7 . 1 1 73 73 LEU H H 73 8.088 8.088 8.444 -0.356 17554 3851 1 7 . 1 1 74 74 ASP N N 74 120.099 120.099 124.685 -4.586 17554 3852 1 7 . 1 1 74 74 ASP HA H 74 4.549 4.549 4.374 0.175 17554 3853 1 7 . 1 1 74 74 ASP CA C 74 54.451 54.451 55.002 -0.551 17554 3854 1 7 . 1 1 74 74 ASP CB C 74 41.071 41.071 40.662 0.409 17554 3855 1 7 . 1 1 74 74 ASP H H 74 8.312 8.312 8.364 -0.052 17554 3856 1 7 . 1 1 75 75 ASN N N 75 118.544 118.544 122.048 -3.504 17554 3857 1 7 . 1 1 75 75 ASN HA H 75 4.627 4.627 4.757 -0.130 17554 3858 1 7 . 1 1 75 75 ASN CA C 75 53.043 53.043 52.859 0.184 17554 3859 1 7 . 1 1 75 75 ASN CB C 75 38.723 38.723 38.555 0.168 17554 3860 1 7 . 1 1 75 75 ASN H H 75 8.254 8.254 8.523 -0.269 17554 3861 1 7 . 1 1 76 76 GLN N N 76 121.475 121.475 122.157 -0.682 17554 3862 1 7 . 1 1 76 76 GLN HA H 76 4.527 4.527 4.584 -0.057 17554 3863 1 7 . 1 1 76 76 GLN CA C 76 53.613 53.613 53.671 -0.058 17554 3864 1 7 . 1 1 76 76 GLN CB C 76 28.697 28.697 29.509 -0.812 17554 3865 1 7 . 1 1 76 76 GLN H H 76 8.228 8.228 8.170 0.058 17554 3866 1 7 . 1 1 77 77 PRO HA H 77 4.566 4.566 4.447 0.119 17554 3867 1 7 . 1 1 77 77 PRO CA C 77 61.219 61.219 61.995 -0.776 17554 3868 1 7 . 1 1 77 77 PRO CB C 77 31.453 31.453 31.366 0.086 17554 3869 1 7 . 1 1 78 78 PRO HA H 78 4.449 4.449 4.440 0.009 17554 3870 1 7 . 1 1 78 78 PRO CA C 78 62.743 62.743 63.004 -0.261 17554 3871 1 7 . 1 1 78 78 PRO CB C 78 32.168 32.168 31.897 0.271 17554 3872 1 7 . 1 1 79 79 GLU N N 79 127.716 127.716 125.642 2.074 17554 3873 1 7 . 1 1 79 79 GLU HA H 79 3.843 3.843 3.796 0.047 17554 3874 1 7 . 1 1 79 79 GLU CA C 79 59.074 59.074 59.789 -0.715 17554 3875 1 7 . 1 1 79 79 GLU CB C 79 28.921 28.921 28.789 0.132 17554 3876 1 7 . 1 1 79 79 GLU H H 79 9.073 9.073 8.844 0.229 17554 3877 1 7 . 1 1 80 80 GLU N N 80 117.579 117.579 120.450 -2.871 17554 3878 1 7 . 1 1 80 80 GLU HA H 80 4.120 4.120 4.101 0.019 17554 3879 1 7 . 1 1 80 80 GLU CA C 80 59.468 59.468 58.945 0.523 17554 3880 1 7 . 1 1 80 80 GLU CB C 80 28.680 28.680 28.810 -0.130 17554 3881 1 7 . 1 1 80 80 GLU H H 80 9.604 9.604 8.765 0.839 17554 3882 1 7 . 1 1 81 81 ILE N N 81 117.488 117.488 119.620 -2.132 17554 3883 1 7 . 1 1 81 81 ILE HA H 81 4.068 4.068 3.872 0.196 17554 3884 1 7 . 1 1 81 81 ILE CA C 81 63.261 63.261 64.448 -1.187 17554 3885 1 7 . 1 1 81 81 ILE CB C 81 37.248 37.248 38.343 -1.095 17554 3886 1 7 . 1 1 81 81 ILE H H 81 7.172 7.172 7.525 -0.353 17554 3887 1 7 . 1 1 82 82 VAL N N 82 121.739 121.739 118.528 3.211 17554 3888 1 7 . 1 1 82 82 VAL HA H 82 3.143 3.143 3.659 -0.516 17554 3889 1 7 . 1 1 82 82 VAL CA C 82 67.507 67.507 66.598 0.909 17554 3890 1 7 . 1 1 82 82 VAL CB C 82 31.816 31.816 31.281 0.535 17554 3891 1 7 . 1 1 82 82 VAL H H 82 7.591 7.591 8.643 -1.052 17554 3892 1 7 . 1 1 83 83 ALA N N 83 118.311 118.311 123.097 -4.786 17554 3893 1 7 . 1 1 83 83 ALA HA H 83 4.341 4.341 4.016 0.325 17554 3894 1 7 . 1 1 83 83 ALA CA C 83 54.186 54.186 55.144 -0.958 17554 3895 1 7 . 1 1 83 83 ALA CB C 83 18.026 18.026 18.152 -0.126 17554 3896 1 7 . 1 1 83 83 ALA H H 83 8.260 8.260 7.782 0.478 17554 3897 1 7 . 1 1 84 84 ILE N N 84 119.780 119.780 119.840 -0.060 17554 3898 1 7 . 1 1 84 84 ILE HA H 84 3.737 3.737 3.599 0.138 17554 3899 1 7 . 1 1 84 84 ILE CA C 84 65.095 65.095 65.570 -0.475 17554 3900 1 7 . 1 1 84 84 ILE CB C 84 38.070 38.070 38.011 0.059 17554 3901 1 7 . 1 1 84 84 ILE H H 84 7.298 7.298 7.635 -0.337 17554 3902 1 7 . 1 1 85 85 ILE N N 85 119.424 119.424 119.121 0.303 17554 3903 1 7 . 1 1 85 85 ILE HA H 85 3.884 3.884 3.748 0.136 17554 3904 1 7 . 1 1 85 85 ILE CA C 85 66.207 66.207 65.910 0.297 17554 3905 1 7 . 1 1 85 85 ILE CB C 85 38.043 38.043 37.935 0.108 17554 3906 1 7 . 1 1 85 85 ILE H H 85 7.426 7.426 8.601 -1.175 17554 3907 1 7 . 1 1 86 86 THR N N 86 112.538 112.538 114.414 -1.876 17554 3908 1 7 . 1 1 86 86 THR HA H 86 4.669 4.669 4.339 0.330 17554 3909 1 7 . 1 1 86 86 THR CA C 86 64.995 64.995 65.246 -0.251 17554 3910 1 7 . 1 1 86 86 THR CB C 86 68.293 68.293 68.511 -0.218 17554 3911 1 7 . 1 1 86 86 THR H H 86 9.097 9.097 8.277 0.820 17554 3912 1 7 . 1 1 87 87 SER N N 87 120.681 120.681 116.675 4.006 17554 3913 1 7 . 1 1 87 87 SER HA H 87 4.397 4.397 4.320 0.077 17554 3914 1 7 . 1 1 87 87 SER CA C 87 61.715 61.715 60.718 0.997 17554 3915 1 7 . 1 1 87 87 SER CB C 87 62.804 62.804 63.099 -0.295 17554 3916 1 7 . 1 1 87 87 SER H H 87 8.250 8.250 8.075 0.175 17554 3917 1 7 . 1 1 88 88 MET N N 88 119.753 119.753 118.499 1.254 17554 3918 1 7 . 1 1 88 88 MET HA H 88 4.399 4.399 4.338 0.061 17554 3919 1 7 . 1 1 88 88 MET CA C 88 56.596 56.596 55.542 1.054 17554 3920 1 7 . 1 1 88 88 MET CB C 88 33.330 33.330 32.763 0.567 17554 3921 1 7 . 1 1 88 88 MET H H 88 7.550 7.550 7.745 -0.195 17554 3922 1 7 . 1 1 89 89 GLY N N 89 105.282 105.282 103.682 1.600 17554 3923 1 7 . 1 1 89 89 GLY CA C 89 44.767 44.767 44.609 0.158 17554 3924 1 7 . 1 1 89 89 GLY H H 89 7.866 7.866 7.496 0.370 17554 3925 1 7 . 1 1 90 90 PHE N N 90 118.182 118.182 120.229 -2.047 17554 3926 1 7 . 1 1 90 90 PHE HA H 90 4.721 4.721 4.993 -0.272 17554 3927 1 7 . 1 1 90 90 PHE CA C 90 57.670 57.670 55.995 1.675 17554 3928 1 7 . 1 1 90 90 PHE CB C 90 39.706 39.706 40.561 -0.855 17554 3929 1 7 . 1 1 90 90 PHE H H 90 6.675 6.675 7.743 -1.068 17554 3930 1 7 . 1 1 91 91 GLN N N 91 118.581 118.581 117.903 0.678 17554 3931 1 7 . 1 1 91 91 GLN HA H 91 4.356 4.356 4.540 -0.184 17554 3932 1 7 . 1 1 91 91 GLN CA C 91 55.485 55.485 55.679 -0.194 17554 3933 1 7 . 1 1 91 91 GLN CB C 91 29.969 29.969 30.142 -0.173 17554 3934 1 7 . 1 1 91 91 GLN H H 91 8.854 8.854 8.622 0.232 17554 3935 1 7 . 1 1 92 92 ARG N N 92 124.037 124.037 124.617 -0.580 17554 3936 1 7 . 1 1 92 92 ARG HA H 92 3.624 3.624 4.132 -0.508 17554 3937 1 7 . 1 1 92 92 ARG CA C 92 60.847 60.847 60.460 0.387 17554 3938 1 7 . 1 1 92 92 ARG CB C 92 29.579 29.579 30.188 -0.609 17554 3939 1 7 . 1 1 92 92 ARG H H 92 9.124 9.124 8.888 0.236 17554 3940 1 7 . 1 1 93 93 ASN N N 93 115.060 115.060 117.785 -2.725 17554 3941 1 7 . 1 1 93 93 ASN HA H 93 4.395 4.395 4.480 -0.085 17554 3942 1 7 . 1 1 93 93 ASN CA C 93 56.562 56.562 56.311 0.251 17554 3943 1 7 . 1 1 93 93 ASN CB C 93 37.059 37.059 37.791 -0.732 17554 3944 1 7 . 1 1 93 93 ASN H H 93 9.117 9.117 8.541 0.576 17554 3945 1 7 . 1 1 94 94 GLN N N 94 119.980 119.980 118.863 1.117 17554 3946 1 7 . 1 1 94 94 GLN HA H 94 3.933 3.933 4.078 -0.145 17554 3947 1 7 . 1 1 94 94 GLN CA C 94 58.775 58.775 59.158 -0.383 17554 3948 1 7 . 1 1 94 94 GLN CB C 94 29.075 29.075 28.514 0.562 17554 3949 1 7 . 1 1 94 94 GLN H H 94 7.033 7.033 8.612 -1.579 17554 3950 1 7 . 1 1 95 95 ALA N N 95 120.823 120.823 122.944 -2.121 17554 3951 1 7 . 1 1 95 95 ALA HA H 95 3.761 3.761 4.026 -0.265 17554 3952 1 7 . 1 1 95 95 ALA CA C 95 55.680 55.680 55.124 0.556 17554 3953 1 7 . 1 1 95 95 ALA CB C 95 19.601 19.601 18.477 1.124 17554 3954 1 7 . 1 1 95 95 ALA H H 95 7.996 7.996 7.947 0.049 17554 3955 1 7 . 1 1 96 96 ILE N N 96 116.250 116.250 120.219 -3.969 17554 3956 1 7 . 1 1 96 96 ILE HA H 96 3.420 3.420 3.524 -0.104 17554 3957 1 7 . 1 1 96 96 ILE CA C 96 65.611 65.611 66.113 -0.502 17554 3958 1 7 . 1 1 96 96 ILE CB C 96 37.869 37.869 37.932 -0.063 17554 3959 1 7 . 1 1 96 96 ILE H H 96 8.408 8.408 8.424 -0.016 17554 3960 1 7 . 1 1 97 97 GLN N N 97 118.601 118.601 119.210 -0.609 17554 3961 1 7 . 1 1 97 97 GLN HA H 97 3.734 3.734 3.831 -0.097 17554 3962 1 7 . 1 1 97 97 GLN CA C 97 59.011 59.011 59.415 -0.404 17554 3963 1 7 . 1 1 97 97 GLN CB C 97 28.425 28.425 28.677 -0.252 17554 3964 1 7 . 1 1 97 97 GLN H H 97 7.767 7.767 8.318 -0.551 17554 3965 1 7 . 1 1 98 98 ALA N N 98 121.375 121.375 122.895 -1.520 17554 3966 1 7 . 1 1 98 98 ALA HA H 98 2.748 2.748 3.782 -1.034 17554 3967 1 7 . 1 1 98 98 ALA CA C 98 54.408 54.408 55.152 -0.744 17554 3968 1 7 . 1 1 98 98 ALA CB C 98 20.084 20.084 18.433 1.651 17554 3969 1 7 . 1 1 98 98 ALA H H 98 7.905 7.905 7.993 -0.088 17554 3970 1 7 . 1 1 99 99 LEU N N 99 118.409 118.409 118.976 -0.567 17554 3971 1 7 . 1 1 99 99 LEU HA H 99 3.717 3.717 4.016 -0.299 17554 3972 1 7 . 1 1 99 99 LEU CA C 99 57.529 57.529 57.264 0.265 17554 3973 1 7 . 1 1 99 99 LEU CB C 99 40.714 40.714 41.366 -0.652 17554 3974 1 7 . 1 1 99 99 LEU H H 99 7.938 7.938 8.336 -0.398 17554 3975 1 7 . 1 1 100 100 ARG N N 100 119.771 119.771 119.398 0.373 17554 3976 1 7 . 1 1 100 100 ARG HA H 100 4.107 4.107 3.812 0.295 17554 3977 1 7 . 1 1 100 100 ARG CA C 100 59.182 59.182 59.481 -0.299 17554 3978 1 7 . 1 1 100 100 ARG CB C 100 30.021 30.021 29.856 0.165 17554 3979 1 7 . 1 1 100 100 ARG H H 100 8.248 8.248 8.331 -0.083 17554 3980 1 7 . 1 1 101 101 ALA N N 101 119.288 119.288 119.296 -0.008 17554 3981 1 7 . 1 1 101 101 ALA HA H 101 3.983 3.983 3.922 0.061 17554 3982 1 7 . 1 1 101 101 ALA CA C 101 53.663 53.663 54.057 -0.394 17554 3983 1 7 . 1 1 101 101 ALA CB C 101 17.946 17.946 17.569 0.377 17554 3984 1 7 . 1 1 101 101 ALA H H 101 7.324 7.324 7.241 0.083 17554 3985 1 7 . 1 1 102 102 THR N N 102 105.233 105.233 108.195 -2.962 17554 3986 1 7 . 1 1 102 102 THR HA H 102 4.429 4.429 4.107 0.322 17554 3987 1 7 . 1 1 102 102 THR CA C 102 60.535 60.535 62.633 -2.099 17554 3988 1 7 . 1 1 102 102 THR CB C 102 71.036 71.036 69.418 1.618 17554 3989 1 7 . 1 1 102 102 THR H H 102 7.113 7.113 7.733 -0.620 17554 3990 1 7 . 1 1 103 103 ASN N N 103 119.293 119.293 118.605 0.688 17554 3991 1 7 . 1 1 103 103 ASN HA H 103 4.343 4.343 4.266 0.077 17554 3992 1 7 . 1 1 103 103 ASN CA C 103 54.462 54.462 53.901 0.562 17554 3993 1 7 . 1 1 103 103 ASN CB C 103 36.960 36.960 36.945 0.015 17554 3994 1 7 . 1 1 103 103 ASN H H 103 7.701 7.701 7.712 -0.011 17554 3995 1 7 . 1 1 104 104 ASN N N 104 108.274 108.274 110.537 -2.263 17554 3996 1 7 . 1 1 104 104 ASN HA H 104 3.956 3.956 4.217 -0.261 17554 3997 1 7 . 1 1 104 104 ASN CA C 104 54.757 54.757 54.587 0.170 17554 3998 1 7 . 1 1 104 104 ASN CB C 104 36.151 36.151 36.904 -0.752 17554 3999 1 7 . 1 1 104 104 ASN H H 104 9.048 9.048 8.808 0.240 17554 4000 1 7 . 1 1 105 105 ASN N N 105 118.458 118.458 118.267 0.191 17554 4001 1 7 . 1 1 105 105 ASN HA H 105 4.728 4.728 4.839 -0.111 17554 4002 1 7 . 1 1 105 105 ASN CA C 105 53.081 53.081 52.214 0.867 17554 4003 1 7 . 1 1 105 105 ASN CB C 105 40.405 40.405 39.712 0.693 17554 4004 1 7 . 1 1 105 105 ASN H H 105 7.061 7.061 7.594 -0.533 17554 4005 1 7 . 1 1 106 106 LEU N N 106 128.727 128.727 128.458 0.269 17554 4006 1 7 . 1 1 106 106 LEU HA H 106 3.732 3.732 4.009 -0.277 17554 4007 1 7 . 1 1 106 106 LEU CA C 106 59.307 59.307 59.102 0.205 17554 4008 1 7 . 1 1 106 106 LEU CB C 106 42.071 42.071 42.198 -0.127 17554 4009 1 7 . 1 1 106 106 LEU H H 106 8.718 8.718 8.630 0.088 17554 4010 1 7 . 1 1 107 107 GLU N N 107 117.325 117.325 118.068 -0.743 17554 4011 1 7 . 1 1 107 107 GLU HA H 107 3.890 3.890 3.969 -0.079 17554 4012 1 7 . 1 1 107 107 GLU CA C 107 60.871 60.871 59.705 1.166 17554 4013 1 7 . 1 1 107 107 GLU CB C 107 28.881 28.881 28.912 -0.031 17554 4014 1 7 . 1 1 107 107 GLU H H 107 8.390 8.390 8.339 0.051 17554 4015 1 7 . 1 1 108 108 ARG N N 108 117.912 117.912 119.965 -2.053 17554 4016 1 7 . 1 1 108 108 ARG HA H 108 4.265 4.265 4.164 0.101 17554 4017 1 7 . 1 1 108 108 ARG CA C 108 58.748 58.748 58.959 -0.211 17554 4018 1 7 . 1 1 108 108 ARG CB C 108 30.650 30.650 30.254 0.396 17554 4019 1 7 . 1 1 108 108 ARG H H 108 8.410 8.410 9.026 -0.616 17554 4020 1 7 . 1 1 109 109 ALA N N 109 127.124 127.124 123.360 3.764 17554 4021 1 7 . 1 1 109 109 ALA HA H 109 3.900 3.900 4.110 -0.210 17554 4022 1 7 . 1 1 109 109 ALA CA C 109 55.518 55.518 55.297 0.222 17554 4023 1 7 . 1 1 109 109 ALA CB C 109 17.772 17.772 18.343 -0.572 17554 4024 1 7 . 1 1 109 109 ALA H H 109 9.083 9.083 8.209 0.874 17554 4025 1 7 . 1 1 110 110 LEU N N 110 118.715 118.715 119.021 -0.306 17554 4026 1 7 . 1 1 110 110 LEU HA H 110 3.777 3.777 3.785 -0.008 17554 4027 1 7 . 1 1 110 110 LEU CA C 110 57.997 57.997 58.102 -0.105 17554 4028 1 7 . 1 1 110 110 LEU CB C 110 40.963 40.963 41.418 -0.455 17554 4029 1 7 . 1 1 110 110 LEU H H 110 8.215 8.215 8.139 0.076 17554 4030 1 7 . 1 1 111 111 ASP N N 111 118.516 118.516 119.604 -1.088 17554 4031 1 7 . 1 1 111 111 ASP HA H 111 4.484 4.484 4.424 0.060 17554 4032 1 7 . 1 1 111 111 ASP CA C 111 57.634 57.634 57.965 -0.331 17554 4033 1 7 . 1 1 111 111 ASP CB C 111 41.026 41.026 40.978 0.048 17554 4034 1 7 . 1 1 111 111 ASP H H 111 7.400 7.400 8.314 -0.914 17554 4035 1 7 . 1 1 112 112 TRP N N 112 122.780 122.780 120.715 2.065 17554 4036 1 7 . 1 1 112 112 TRP HA H 112 4.097 4.097 4.373 -0.276 17554 4037 1 7 . 1 1 112 112 TRP CA C 112 62.365 62.365 60.699 1.667 17554 4038 1 7 . 1 1 112 112 TRP CB C 112 29.490 29.490 30.053 -0.563 17554 4039 1 7 . 1 1 112 112 TRP H H 112 8.525 8.525 8.166 0.359 17554 4040 1 7 . 1 1 113 113 ILE N N 113 122.469 122.469 117.729 4.740 17554 4041 1 7 . 1 1 113 113 ILE HA H 113 3.575 3.575 3.609 -0.034 17554 4042 1 7 . 1 1 113 113 ILE CA C 113 66.239 66.239 65.003 1.236 17554 4043 1 7 . 1 1 113 113 ILE CB C 113 37.688 37.688 37.364 0.324 17554 4044 1 7 . 1 1 113 113 ILE H H 113 8.618 8.618 8.571 0.047 17554 4045 1 7 . 1 1 114 114 PHE N N 114 118.665 118.665 120.343 -1.678 17554 4046 1 7 . 1 1 114 114 PHE HA H 114 4.386 4.386 4.262 0.124 17554 4047 1 7 . 1 1 114 114 PHE CA C 114 60.111 60.111 60.084 0.027 17554 4048 1 7 . 1 1 114 114 PHE CB C 114 38.344 38.344 39.161 -0.817 17554 4049 1 7 . 1 1 114 114 PHE H H 114 8.109 8.109 8.430 -0.321 17554 4050 1 7 . 1 1 115 115 SER N N 115 111.172 111.172 112.908 -1.736 17554 4051 1 7 . 1 1 115 115 SER HA H 115 4.333 4.333 4.178 0.155 17554 4052 1 7 . 1 1 115 115 SER CA C 115 58.593 58.593 59.526 -0.934 17554 4053 1 7 . 1 1 115 115 SER CB C 115 64.067 64.067 63.035 1.032 17554 4054 1 7 . 1 1 115 115 SER H H 115 7.723 7.723 7.340 0.383 17554 4055 1 7 . 1 1 116 116 HIS N N 116 119.686 119.686 120.905 -1.219 17554 4056 1 7 . 1 1 116 116 HIS HA H 116 4.749 4.749 4.715 0.034 17554 4057 1 7 . 1 1 116 116 HIS CA C 116 54.476 54.476 53.616 0.860 17554 4058 1 7 . 1 1 116 116 HIS CB C 116 27.310 27.310 31.159 -3.849 17554 4059 1 7 . 1 1 116 116 HIS H H 116 7.407 7.407 7.471 -0.064 17554 4060 1 7 . 1 1 117 117 PRO HA H 117 4.465 4.465 4.145 0.320 17554 4061 1 7 . 1 1 117 117 PRO CA C 117 64.170 64.170 65.002 -0.832 17554 4062 1 7 . 1 1 117 117 PRO CB C 117 31.939 31.939 32.158 -0.219 17554 4063 1 7 . 1 1 118 118 GLU N N 118 119.986 119.986 112.675 7.311 17554 4064 1 7 . 1 1 118 118 GLU HA H 118 4.338 4.338 4.063 0.275 17554 4065 1 7 . 1 1 118 118 GLU CA C 118 56.440 56.440 56.077 0.363 17554 4066 1 7 . 1 1 118 118 GLU CB C 118 29.469 29.469 30.070 -0.601 17554 4067 1 7 . 1 1 118 118 GLU H H 118 8.667 8.667 7.779 0.888 17554 4068 1 7 . 1 1 119 119 PHE N N 119 121.581 121.581 120.579 1.002 17554 4069 1 7 . 1 1 119 119 PHE HA H 119 4.632 4.632 4.683 -0.051 17554 4070 1 7 . 1 1 119 119 PHE CA C 119 57.981 57.981 57.099 0.882 17554 4071 1 7 . 1 1 119 119 PHE CB C 119 39.805 39.805 40.355 -0.550 17554 4072 1 7 . 1 1 119 119 PHE H H 119 8.054 8.054 7.911 0.143 17554 4073 1 7 . 1 1 120 120 GLU N N 120 123.882 123.882 117.183 6.699 17554 4074 1 7 . 1 1 120 120 GLU HA H 120 4.273 4.273 3.801 0.472 17554 4075 1 7 . 1 1 120 120 GLU CA C 120 56.127 56.127 57.194 -1.067 17554 4076 1 7 . 1 1 120 120 GLU CB C 120 30.789 30.789 29.486 1.302 17554 4077 1 7 . 1 1 120 120 GLU H H 120 8.264 8.264 7.772 0.492 17554 4078 1 7 . 1 1 121 121 GLU N N 121 122.504 122.504 121.151 1.353 17554 4079 1 7 . 1 1 121 121 GLU HA H 121 4.213 4.213 4.466 -0.253 17554 4080 1 7 . 1 1 121 121 GLU CA C 121 56.634 56.634 56.082 0.552 17554 4081 1 7 . 1 1 121 121 GLU CB C 121 30.580 30.580 30.367 0.213 17554 4082 1 7 . 1 1 121 121 GLU H H 121 8.398 8.398 8.363 0.035 17554 4083 1 7 . 1 1 122 122 ASP N N 122 121.820 121.820 123.719 -1.899 17554 4084 1 7 . 1 1 122 122 ASP HA H 122 4.627 4.627 4.599 0.028 17554 4085 1 7 . 1 1 122 122 ASP CA C 122 54.443 54.443 54.245 0.198 17554 4086 1 7 . 1 1 122 122 ASP CB C 122 41.237 41.237 41.144 0.093 17554 4087 1 7 . 1 1 122 122 ASP H H 122 8.478 8.478 8.822 -0.344 17554 4088 1 7 . 1 1 123 123 SER N N 123 116.397 116.397 115.322 1.075 17554 4089 1 7 . 1 1 123 123 SER HA H 123 4.392 4.392 4.155 0.237 17554 4090 1 7 . 1 1 123 123 SER CA C 123 58.605 58.605 58.848 -0.243 17554 4091 1 7 . 1 1 123 123 SER CB C 123 64.064 64.064 61.522 2.542 17554 4092 1 7 . 1 1 123 123 SER H H 123 8.236 8.236 8.232 0.004 17554 4093 1 7 . 1 1 124 124 ASP N N 124 122.070 122.070 121.721 0.349 17554 4094 1 7 . 1 1 124 124 ASP HA H 124 4.599 4.599 4.645 -0.046 17554 4095 1 7 . 1 1 124 124 ASP CA C 124 54.501 54.501 54.706 -0.206 17554 4096 1 7 . 1 1 124 124 ASP CB C 124 41.106 41.106 42.042 -0.936 17554 4097 1 7 . 1 1 124 124 ASP H H 124 8.378 8.378 7.863 0.515 17554 4098 1 7 . 1 1 125 125 PHE N N 125 120.274 120.274 124.196 -3.922 17554 4099 1 7 . 1 1 125 125 PHE HA H 125 4.623 4.623 4.202 0.421 17554 4100 1 7 . 1 1 125 125 PHE CA C 125 57.913 57.913 58.530 -0.617 17554 4101 1 7 . 1 1 125 125 PHE CB C 125 39.601 39.601 38.446 1.155 17554 4102 1 7 . 1 1 125 125 PHE H H 125 8.049 8.049 8.771 -0.722 17554 4103 1 8 . 1 1 2 2 ILE N N 2 117.266 117.266 119.354 -2.088 17554 4104 1 8 . 1 1 2 2 ILE HA H 2 3.919 3.919 3.786 0.133 17554 4105 1 8 . 1 1 2 2 ILE CA C 2 60.653 60.653 61.902 -1.249 17554 4106 1 8 . 1 1 2 2 ILE CB C 2 41.029 41.029 36.740 4.289 17554 4107 1 8 . 1 1 2 2 ILE H H 2 7.746 7.746 8.755 -1.009 17554 4108 1 8 . 1 1 3 3 ASP N N 3 125.895 125.895 124.179 1.716 17554 4109 1 8 . 1 1 3 3 ASP HA H 3 4.606 4.606 4.514 0.092 17554 4110 1 8 . 1 1 3 3 ASP CA C 3 54.349 54.349 55.161 -0.812 17554 4111 1 8 . 1 1 3 3 ASP CB C 3 41.214 41.214 40.316 0.898 17554 4112 1 8 . 1 1 3 3 ASP H H 3 8.328 8.328 8.514 -0.186 17554 4113 1 8 . 1 1 4 4 GLU N N 4 128.620 128.620 125.359 3.261 17554 4114 1 8 . 1 1 4 4 GLU HA H 4 3.948 3.948 3.988 -0.040 17554 4115 1 8 . 1 1 4 4 GLU CA C 4 58.981 58.981 58.426 0.555 17554 4116 1 8 . 1 1 4 4 GLU CB C 4 29.631 29.631 29.503 0.128 17554 4117 1 8 . 1 1 4 4 GLU H H 4 8.991 8.991 8.448 0.543 17554 4118 1 8 . 1 1 5 5 SER N N 5 115.342 115.342 115.512 -0.170 17554 4119 1 8 . 1 1 5 5 SER HA H 5 4.254 4.254 4.187 0.067 17554 4120 1 8 . 1 1 5 5 SER CA C 5 61.961 61.961 61.625 0.336 17554 4121 1 8 . 1 1 5 5 SER CB C 5 62.222 62.222 62.643 -0.421 17554 4122 1 8 . 1 1 5 5 SER H H 5 8.634 8.634 8.397 0.237 17554 4123 1 8 . 1 1 6 6 SER N N 6 119.418 119.418 117.674 1.744 17554 4124 1 8 . 1 1 6 6 SER HA H 6 4.354 4.354 4.170 0.184 17554 4125 1 8 . 1 1 6 6 SER CA C 6 61.729 61.729 62.020 -0.291 17554 4126 1 8 . 1 1 6 6 SER CB C 6 63.366 63.366 63.099 0.267 17554 4127 1 8 . 1 1 6 6 SER H H 6 7.670 7.670 7.794 -0.124 17554 4128 1 8 . 1 1 7 7 VAL N N 7 120.774 120.774 122.679 -1.905 17554 4129 1 8 . 1 1 7 7 VAL HA H 7 3.234 3.234 3.876 -0.642 17554 4130 1 8 . 1 1 7 7 VAL CA C 7 67.151 67.151 64.917 2.234 17554 4131 1 8 . 1 1 7 7 VAL CB C 7 31.792 31.792 31.853 -0.061 17554 4132 1 8 . 1 1 7 7 VAL H H 7 7.286 7.286 7.689 -0.403 17554 4133 1 8 . 1 1 8 8 MET N N 8 116.159 116.159 118.846 -2.687 17554 4134 1 8 . 1 1 8 8 MET HA H 8 4.356 4.356 3.959 0.397 17554 4135 1 8 . 1 1 8 8 MET CA C 8 57.482 57.482 59.696 -2.214 17554 4136 1 8 . 1 1 8 8 MET CB C 8 31.341 31.341 32.015 -0.674 17554 4137 1 8 . 1 1 8 8 MET H H 8 8.244 8.244 8.654 -0.410 17554 4138 1 8 . 1 1 9 9 GLN N N 9 119.708 119.708 118.917 0.791 17554 4139 1 8 . 1 1 9 9 GLN HA H 9 4.101 4.101 4.081 0.020 17554 4140 1 8 . 1 1 9 9 GLN CA C 9 59.331 59.331 58.677 0.654 17554 4141 1 8 . 1 1 9 9 GLN CB C 9 28.880 28.880 28.325 0.555 17554 4142 1 8 . 1 1 9 9 GLN H H 9 7.855 7.855 7.837 0.018 17554 4143 1 8 . 1 1 10 10 LEU N N 10 118.986 118.986 119.447 -0.461 17554 4144 1 8 . 1 1 10 10 LEU HA H 10 4.463 4.463 4.092 0.371 17554 4145 1 8 . 1 1 10 10 LEU CA C 10 57.438 57.438 57.581 -0.143 17554 4146 1 8 . 1 1 10 10 LEU CB C 10 42.943 42.943 41.398 1.546 17554 4147 1 8 . 1 1 10 10 LEU H H 10 7.432 7.432 7.758 -0.326 17554 4148 1 8 . 1 1 11 11 ALA N N 11 125.146 125.146 121.959 3.187 17554 4149 1 8 . 1 1 11 11 ALA HA H 11 4.411 4.411 4.322 0.089 17554 4150 1 8 . 1 1 11 11 ALA CA C 11 55.259 55.259 54.564 0.695 17554 4151 1 8 . 1 1 11 11 ALA CB C 11 17.734 17.734 18.366 -0.633 17554 4152 1 8 . 1 1 11 11 ALA H H 11 8.797 8.797 8.562 0.235 17554 4153 1 8 . 1 1 12 12 GLU N N 12 119.871 119.871 117.078 2.793 17554 4154 1 8 . 1 1 12 12 GLU HA H 12 4.117 4.117 4.080 0.037 17554 4155 1 8 . 1 1 12 12 GLU CA C 12 58.473 58.473 58.237 0.236 17554 4156 1 8 . 1 1 12 12 GLU CB C 12 29.531 29.531 29.326 0.205 17554 4157 1 8 . 1 1 12 12 GLU H H 12 8.178 8.178 8.266 -0.088 17554 4158 1 8 . 1 1 13 13 MET N N 13 116.292 116.292 115.743 0.549 17554 4159 1 8 . 1 1 13 13 MET HA H 13 4.296 4.296 3.189 1.107 17554 4160 1 8 . 1 1 13 13 MET CA C 13 56.797 56.797 54.844 1.953 17554 4161 1 8 . 1 1 13 13 MET CB C 13 33.221 33.221 33.003 0.218 17554 4162 1 8 . 1 1 13 13 MET H H 13 7.619 7.619 7.474 0.145 17554 4163 1 8 . 1 1 14 14 GLY N N 14 104.580 104.580 108.047 -3.467 17554 4164 1 8 . 1 1 14 14 GLY CA C 14 44.860 44.860 44.627 0.233 17554 4165 1 8 . 1 1 14 14 GLY H H 14 7.873 7.873 7.652 0.221 17554 4166 1 8 . 1 1 15 15 PHE N N 15 118.802 118.802 122.019 -3.217 17554 4167 1 8 . 1 1 15 15 PHE HA H 15 5.017 5.017 4.742 0.275 17554 4168 1 8 . 1 1 15 15 PHE CA C 15 56.352 56.352 55.060 1.292 17554 4169 1 8 . 1 1 15 15 PHE CB C 15 39.395 39.395 38.984 0.411 17554 4170 1 8 . 1 1 15 15 PHE H H 15 6.623 6.623 8.171 -1.548 17554 4171 1 8 . 1 1 16 16 PRO HA H 16 4.530 4.530 4.450 0.080 17554 4172 1 8 . 1 1 16 16 PRO CA C 16 63.064 63.064 63.033 0.030 17554 4173 1 8 . 1 1 16 16 PRO CB C 16 32.293 32.293 30.650 1.643 17554 4174 1 8 . 1 1 17 17 LEU N N 17 128.389 128.389 127.244 1.145 17554 4175 1 8 . 1 1 17 17 LEU HA H 17 3.945 3.945 4.375 -0.430 17554 4176 1 8 . 1 1 17 17 LEU CA C 17 59.601 59.601 54.165 5.436 17554 4177 1 8 . 1 1 17 17 LEU CB C 17 42.248 42.248 40.005 2.243 17554 4178 1 8 . 1 1 17 17 LEU H H 17 9.041 9.041 8.155 0.886 17554 4179 1 8 . 1 1 18 18 GLU N N 18 114.837 114.837 125.027 -10.190 17554 4180 1 8 . 1 1 18 18 GLU HA H 18 4.067 4.067 3.970 0.097 17554 4181 1 8 . 1 1 18 18 GLU CA C 18 59.139 59.139 59.582 -0.443 17554 4182 1 8 . 1 1 18 18 GLU CB C 18 28.874 28.874 29.488 -0.614 17554 4183 1 8 . 1 1 18 18 GLU H H 18 9.267 9.267 8.486 0.781 17554 4184 1 8 . 1 1 19 19 ALA N N 19 119.137 119.137 121.249 -2.112 17554 4185 1 8 . 1 1 19 19 ALA HA H 19 3.918 3.918 4.108 -0.190 17554 4186 1 8 . 1 1 19 19 ALA CA C 19 54.872 54.872 55.028 -0.156 17554 4187 1 8 . 1 1 19 19 ALA CB C 19 17.972 17.972 18.152 -0.180 17554 4188 1 8 . 1 1 19 19 ALA H H 19 6.838 6.838 8.272 -1.434 17554 4189 1 8 . 1 1 20 20 CYS N N 20 116.877 116.877 117.439 -0.562 17554 4190 1 8 . 1 1 20 20 CYS HA H 20 3.891 3.891 4.225 -0.334 17554 4191 1 8 . 1 1 20 20 CYS CA C 20 63.356 63.356 62.188 1.168 17554 4192 1 8 . 1 1 20 20 CYS CB C 20 28.018 28.018 27.725 0.293 17554 4193 1 8 . 1 1 20 20 CYS H H 20 7.610 7.610 8.229 -0.619 17554 4194 1 8 . 1 1 21 21 ARG N N 21 117.434 117.434 121.055 -3.621 17554 4195 1 8 . 1 1 21 21 ARG HA H 21 3.696 3.696 3.934 -0.238 17554 4196 1 8 . 1 1 21 21 ARG CA C 21 60.192 60.192 59.315 0.877 17554 4197 1 8 . 1 1 21 21 ARG CB C 21 30.175 30.175 30.001 0.174 17554 4198 1 8 . 1 1 21 21 ARG H H 21 7.965 7.965 7.753 0.212 17554 4199 1 8 . 1 1 22 22 LYS N N 22 117.667 117.667 117.604 0.063 17554 4200 1 8 . 1 1 22 22 LYS HA H 22 3.412 3.412 4.197 -0.785 17554 4201 1 8 . 1 1 22 22 LYS CA C 22 60.181 60.181 59.208 0.973 17554 4202 1 8 . 1 1 22 22 LYS CB C 22 32.085 32.085 32.040 0.045 17554 4203 1 8 . 1 1 22 22 LYS H H 22 7.392 7.392 8.150 -0.758 17554 4204 1 8 . 1 1 23 23 ALA N N 23 120.670 120.670 123.383 -2.713 17554 4205 1 8 . 1 1 23 23 ALA HA H 23 3.015 3.015 4.121 -1.106 17554 4206 1 8 . 1 1 23 23 ALA CA C 23 54.845 54.845 54.880 -0.035 17554 4207 1 8 . 1 1 23 23 ALA CB C 23 19.900 19.900 18.213 1.687 17554 4208 1 8 . 1 1 23 23 ALA H H 23 8.043 8.043 7.720 0.323 17554 4209 1 8 . 1 1 24 24 VAL N N 24 117.629 117.629 119.896 -2.267 17554 4210 1 8 . 1 1 24 24 VAL HA H 24 3.510 3.510 3.591 -0.081 17554 4211 1 8 . 1 1 24 24 VAL CA C 24 65.665 65.665 66.810 -1.145 17554 4212 1 8 . 1 1 24 24 VAL CB C 24 32.009 32.009 31.688 0.321 17554 4213 1 8 . 1 1 24 24 VAL H H 24 7.381 7.381 8.849 -1.468 17554 4214 1 8 . 1 1 25 25 TYR N N 25 120.392 120.392 121.276 -0.884 17554 4215 1 8 . 1 1 25 25 TYR HA H 25 3.860 3.860 4.123 -0.263 17554 4216 1 8 . 1 1 25 25 TYR CA C 25 62.098 62.098 60.620 1.478 17554 4217 1 8 . 1 1 25 25 TYR CB C 25 38.735 38.735 38.657 0.078 17554 4218 1 8 . 1 1 25 25 TYR H H 25 8.029 8.029 7.674 0.355 17554 4219 1 8 . 1 1 26 26 PHE N N 26 116.460 116.460 118.991 -2.531 17554 4220 1 8 . 1 1 26 26 PHE HA H 26 4.181 4.181 3.922 0.259 17554 4221 1 8 . 1 1 26 26 PHE CA C 26 60.345 60.345 60.558 -0.213 17554 4222 1 8 . 1 1 26 26 PHE CB C 26 37.917 37.917 39.211 -1.294 17554 4223 1 8 . 1 1 26 26 PHE H H 26 9.102 9.102 8.263 0.839 17554 4224 1 8 . 1 1 27 27 THR N N 27 106.212 106.212 109.990 -3.778 17554 4225 1 8 . 1 1 27 27 THR HA H 27 4.477 4.477 3.684 0.793 17554 4226 1 8 . 1 1 27 27 THR CA C 27 61.195 61.195 62.753 -1.558 17554 4227 1 8 . 1 1 27 27 THR CB C 27 69.061 69.061 69.004 0.057 17554 4228 1 8 . 1 1 27 27 THR H H 27 7.050 7.050 8.189 -1.139 17554 4229 1 8 . 1 1 28 28 GLY N N 28 107.275 107.275 109.581 -2.306 17554 4230 1 8 . 1 1 28 28 GLY CA C 28 46.575 46.575 44.375 2.200 17554 4231 1 8 . 1 1 28 28 GLY H H 28 7.278 7.278 7.239 0.039 17554 4232 1 8 . 1 1 29 29 ASN N N 29 118.189 118.189 116.503 1.686 17554 4233 1 8 . 1 1 29 29 ASN HA H 29 4.342 4.342 4.355 -0.013 17554 4234 1 8 . 1 1 29 29 ASN CA C 29 53.614 53.614 53.833 -0.219 17554 4235 1 8 . 1 1 29 29 ASN CB C 29 37.302 37.302 37.514 -0.212 17554 4236 1 8 . 1 1 29 29 ASN H H 29 8.704 8.704 8.561 0.143 17554 4237 1 8 . 1 1 30 30 MET N N 30 119.241 119.241 118.072 1.169 17554 4238 1 8 . 1 1 30 30 MET HA H 30 4.791 4.791 4.599 0.192 17554 4239 1 8 . 1 1 30 30 MET CA C 30 53.943 53.943 53.108 0.835 17554 4240 1 8 . 1 1 30 30 MET CB C 30 33.263 33.263 31.434 1.829 17554 4241 1 8 . 1 1 30 30 MET H H 30 8.921 8.921 7.726 1.195 17554 4242 1 8 . 1 1 31 31 GLY N N 31 109.623 109.623 106.752 2.871 17554 4243 1 8 . 1 1 31 31 GLY CA C 31 44.151 44.151 44.458 -0.306 17554 4244 1 8 . 1 1 31 31 GLY H H 31 8.349 8.349 7.491 0.858 17554 4245 1 8 . 1 1 32 32 ALA N N 32 121.096 121.096 122.654 -1.558 17554 4246 1 8 . 1 1 32 32 ALA HA H 32 3.980 3.980 4.124 -0.144 17554 4247 1 8 . 1 1 32 32 ALA CA C 32 55.192 55.192 54.495 0.697 17554 4248 1 8 . 1 1 32 32 ALA CB C 32 19.058 19.058 19.132 -0.074 17554 4249 1 8 . 1 1 32 32 ALA H H 32 8.899 8.899 8.573 0.326 17554 4250 1 8 . 1 1 33 33 GLU N N 33 119.428 119.428 118.554 0.874 17554 4251 1 8 . 1 1 33 33 GLU HA H 33 4.095 4.095 4.106 -0.011 17554 4252 1 8 . 1 1 33 33 GLU CA C 33 60.864 60.864 59.339 1.525 17554 4253 1 8 . 1 1 33 33 GLU CB C 33 28.661 28.661 28.758 -0.097 17554 4254 1 8 . 1 1 33 33 GLU H H 33 8.705 8.705 8.635 0.070 17554 4255 1 8 . 1 1 34 34 VAL N N 34 117.216 117.216 119.682 -2.466 17554 4256 1 8 . 1 1 34 34 VAL HA H 34 4.062 4.062 3.882 0.180 17554 4257 1 8 . 1 1 34 34 VAL CA C 34 65.178 65.178 66.216 -1.038 17554 4258 1 8 . 1 1 34 34 VAL CB C 34 31.684 31.684 31.376 0.308 17554 4259 1 8 . 1 1 34 34 VAL H H 34 8.178 8.178 7.873 0.305 17554 4260 1 8 . 1 1 35 35 ALA N N 35 123.635 123.635 122.862 0.773 17554 4261 1 8 . 1 1 35 35 ALA HA H 35 4.289 4.289 4.302 -0.013 17554 4262 1 8 . 1 1 35 35 ALA CA C 35 54.787 54.787 54.890 -0.103 17554 4263 1 8 . 1 1 35 35 ALA CB C 35 19.794 19.794 18.271 1.523 17554 4264 1 8 . 1 1 35 35 ALA H H 35 7.178 7.178 7.625 -0.447 17554 4265 1 8 . 1 1 36 36 PHE N N 36 120.976 120.976 120.239 0.737 17554 4266 1 8 . 1 1 36 36 PHE HA H 36 4.079 4.079 4.112 -0.033 17554 4267 1 8 . 1 1 36 36 PHE CA C 36 61.339 61.339 62.113 -0.774 17554 4268 1 8 . 1 1 36 36 PHE CB C 36 38.952 38.952 39.347 -0.395 17554 4269 1 8 . 1 1 36 36 PHE H H 36 8.832 8.832 8.985 -0.153 17554 4270 1 8 . 1 1 37 37 ASN N N 37 114.823 114.823 117.704 -2.881 17554 4271 1 8 . 1 1 37 37 ASN HA H 37 4.318 4.318 4.380 -0.062 17554 4272 1 8 . 1 1 37 37 ASN CA C 37 56.379 56.379 56.086 0.293 17554 4273 1 8 . 1 1 37 37 ASN CB C 37 38.288 38.288 38.427 -0.139 17554 4274 1 8 . 1 1 37 37 ASN H H 37 7.591 7.591 8.187 -0.596 17554 4275 1 8 . 1 1 38 38 TRP N N 38 119.984 119.984 121.061 -1.077 17554 4276 1 8 . 1 1 38 38 TRP HA H 38 4.191 4.191 4.436 -0.245 17554 4277 1 8 . 1 1 38 38 TRP CA C 38 62.279 62.279 60.390 1.889 17554 4278 1 8 . 1 1 38 38 TRP CB C 38 30.545 30.545 29.789 0.756 17554 4279 1 8 . 1 1 38 38 TRP H H 38 7.630 7.630 8.181 -0.551 17554 4280 1 8 . 1 1 39 39 ILE N N 39 121.183 121.183 120.850 0.333 17554 4281 1 8 . 1 1 39 39 ILE HA H 39 3.647 3.647 3.861 -0.214 17554 4282 1 8 . 1 1 39 39 ILE CA C 39 65.651 65.651 62.944 2.707 17554 4283 1 8 . 1 1 39 39 ILE CB C 39 36.375 36.375 38.052 -1.677 17554 4284 1 8 . 1 1 39 39 ILE H H 39 8.017 8.017 8.163 -0.146 17554 4285 1 8 . 1 1 40 40 ILE N N 40 115.084 115.084 117.553 -2.469 17554 4286 1 8 . 1 1 40 40 ILE HA H 40 3.665 3.665 3.720 -0.055 17554 4287 1 8 . 1 1 40 40 ILE CA C 40 63.224 63.224 64.049 -0.825 17554 4288 1 8 . 1 1 40 40 ILE CB C 40 36.681 36.681 37.154 -0.473 17554 4289 1 8 . 1 1 40 40 ILE H H 40 7.474 7.474 7.528 -0.054 17554 4290 1 8 . 1 1 41 41 VAL N N 41 116.045 116.045 118.911 -2.866 17554 4291 1 8 . 1 1 41 41 VAL HA H 41 3.661 3.661 3.555 0.106 17554 4292 1 8 . 1 1 41 41 VAL CA C 41 64.452 64.452 65.663 -1.211 17554 4293 1 8 . 1 1 41 41 VAL CB C 41 32.156 32.156 31.741 0.415 17554 4294 1 8 . 1 1 41 41 VAL H H 41 7.054 7.054 7.419 -0.365 17554 4295 1 8 . 1 1 42 42 HIS N N 42 115.595 115.595 118.406 -2.811 17554 4296 1 8 . 1 1 42 42 HIS HA H 42 4.098 4.098 4.404 -0.306 17554 4297 1 8 . 1 1 42 42 HIS CA C 42 57.365 57.365 57.567 -0.202 17554 4298 1 8 . 1 1 42 42 HIS CB C 42 28.251 28.251 29.779 -1.528 17554 4299 1 8 . 1 1 42 42 HIS H H 42 7.353 7.353 7.910 -0.557 17554 4300 1 8 . 1 1 43 43 MET N N 43 117.495 117.495 118.384 -0.889 17554 4301 1 8 . 1 1 43 43 MET HA H 43 2.064 2.064 3.785 -1.721 17554 4302 1 8 . 1 1 43 43 MET CA C 43 57.980 57.980 56.798 1.182 17554 4303 1 8 . 1 1 43 43 MET CB C 43 32.258 32.258 31.314 0.943 17554 4304 1 8 . 1 1 43 43 MET H H 43 7.373 7.373 7.558 -0.185 17554 4305 1 8 . 1 1 44 44 GLU N N 44 116.844 116.844 116.515 0.329 17554 4306 1 8 . 1 1 44 44 GLU HA H 44 4.346 4.346 3.902 0.444 17554 4307 1 8 . 1 1 44 44 GLU CA C 44 55.838 55.838 56.792 -0.954 17554 4308 1 8 . 1 1 44 44 GLU CB C 44 29.351 29.351 29.042 0.309 17554 4309 1 8 . 1 1 44 44 GLU H H 44 8.102 8.102 7.503 0.599 17554 4310 1 8 . 1 1 45 45 GLU N N 45 121.925 121.925 120.670 1.255 17554 4311 1 8 . 1 1 45 45 GLU HA H 45 4.426 4.426 4.290 0.136 17554 4312 1 8 . 1 1 45 45 GLU CA C 45 55.141 55.141 54.193 0.948 17554 4313 1 8 . 1 1 45 45 GLU CB C 45 28.513 28.513 29.108 -0.595 17554 4314 1 8 . 1 1 45 45 GLU H H 45 7.853 7.853 7.132 0.721 17554 4315 1 8 . 1 1 46 46 PRO HA H 46 4.440 4.440 4.284 0.156 17554 4316 1 8 . 1 1 46 46 PRO CA C 46 65.070 65.070 65.313 -0.243 17554 4317 1 8 . 1 1 46 46 PRO CB C 46 31.850 31.850 32.074 -0.224 17554 4318 1 8 . 1 1 47 47 ASP N N 47 115.051 115.051 116.477 -1.426 17554 4319 1 8 . 1 1 47 47 ASP HA H 47 4.686 4.686 4.693 -0.007 17554 4320 1 8 . 1 1 47 47 ASP CA C 47 52.841 52.841 52.389 0.452 17554 4321 1 8 . 1 1 47 47 ASP CB C 47 39.711 39.711 40.374 -0.663 17554 4322 1 8 . 1 1 47 47 ASP H H 47 8.437 8.437 8.376 0.061 17554 4323 1 8 . 1 1 48 48 PHE N N 48 122.693 122.693 118.255 4.438 17554 4324 1 8 . 1 1 48 48 PHE HA H 48 4.522 4.522 4.288 0.234 17554 4325 1 8 . 1 1 48 48 PHE CA C 48 60.887 60.887 58.316 2.571 17554 4326 1 8 . 1 1 48 48 PHE CB C 48 40.495 40.495 38.631 1.864 17554 4327 1 8 . 1 1 48 48 PHE H H 48 7.695 7.695 7.681 0.014 17554 4328 1 8 . 1 1 49 49 ALA N N 49 117.185 117.185 119.815 -2.630 17554 4329 1 8 . 1 1 49 49 ALA HA H 49 4.099 4.099 4.214 -0.115 17554 4330 1 8 . 1 1 49 49 ALA CA C 49 51.211 51.211 51.176 0.035 17554 4331 1 8 . 1 1 49 49 ALA CB C 49 19.067 19.067 19.837 -0.770 17554 4332 1 8 . 1 1 49 49 ALA H H 49 8.643 8.643 6.896 1.747 17554 4333 1 8 . 1 1 50 50 GLU N N 50 119.707 119.707 124.101 -4.394 17554 4334 1 8 . 1 1 50 50 GLU HA H 50 4.412 4.412 4.211 0.201 17554 4335 1 8 . 1 1 50 50 GLU CA C 50 54.755 54.755 54.814 -0.059 17554 4336 1 8 . 1 1 50 50 GLU CB C 50 29.274 29.274 29.507 -0.233 17554 4337 1 8 . 1 1 50 50 GLU H H 50 7.412 7.412 8.473 -1.061 17554 4338 1 8 . 1 1 51 51 PRO HA H 51 4.315 4.315 4.522 -0.207 17554 4339 1 8 . 1 1 51 51 PRO CA C 51 62.863 62.863 62.748 0.115 17554 4340 1 8 . 1 1 51 51 PRO CB C 51 32.408 32.408 30.252 2.156 17554 4341 1 8 . 1 1 52 52 LEU N N 52 123.507 123.507 126.027 -2.520 17554 4342 1 8 . 1 1 52 52 LEU HA H 52 4.210 4.210 4.371 -0.161 17554 4343 1 8 . 1 1 52 52 LEU CA C 52 55.217 55.217 54.860 0.357 17554 4344 1 8 . 1 1 52 52 LEU CB C 52 42.918 42.918 40.802 2.116 17554 4345 1 8 . 1 1 52 52 LEU H H 52 8.475 8.475 8.163 0.312 17554 4346 1 8 . 1 1 53 53 THR N N 53 119.005 119.005 120.090 -1.085 17554 4347 1 8 . 1 1 53 53 THR HA H 53 4.292 4.292 4.101 0.191 17554 4348 1 8 . 1 1 53 53 THR CA C 53 61.478 61.478 63.155 -1.677 17554 4349 1 8 . 1 1 53 53 THR CB C 53 69.752 69.752 68.123 1.629 17554 4350 1 8 . 1 1 53 53 THR H H 53 8.371 8.371 8.151 0.220 17554 4351 1 8 . 1 1 54 54 MET N N 54 124.439 124.439 123.141 1.298 17554 4352 1 8 . 1 1 54 54 MET HA H 54 4.651 4.651 4.739 -0.088 17554 4353 1 8 . 1 1 54 54 MET CA C 54 53.235 53.235 51.763 1.472 17554 4354 1 8 . 1 1 54 54 MET CB C 54 32.605 32.605 31.067 1.538 17554 4355 1 8 . 1 1 54 54 MET H H 54 8.264 8.264 8.280 -0.016 17554 4356 1 8 . 1 1 55 55 PRO HA H 55 4.368 4.368 4.525 -0.157 17554 4357 1 8 . 1 1 55 55 PRO CA C 55 63.668 63.668 62.522 1.146 17554 4358 1 8 . 1 1 55 55 PRO CB C 55 32.038 32.038 32.250 -0.212 17554 4359 1 8 . 1 1 56 56 GLY N N 56 109.663 109.663 110.992 -1.329 17554 4360 1 8 . 1 1 56 56 GLY CA C 56 45.314 45.314 44.735 0.579 17554 4361 1 8 . 1 1 56 56 GLY H H 56 8.461 8.461 8.537 -0.076 17554 4362 1 8 . 1 1 57 57 TYR N N 57 120.317 120.317 128.148 -7.831 17554 4363 1 8 . 1 1 57 57 TYR HA H 57 4.528 4.528 4.342 0.186 17554 4364 1 8 . 1 1 57 57 TYR CA C 57 58.132 58.132 57.721 0.411 17554 4365 1 8 . 1 1 57 57 TYR CB C 57 38.958 38.958 36.947 2.011 17554 4366 1 8 . 1 1 57 57 TYR H H 57 8.033 8.033 8.437 -0.404 17554 4367 1 8 . 1 1 58 58 GLY N N 58 111.694 111.694 109.119 2.575 17554 4368 1 8 . 1 1 58 58 GLY CA C 58 45.489 45.489 45.131 0.358 17554 4369 1 8 . 1 1 58 58 GLY H H 58 8.423 8.423 8.363 0.060 17554 4370 1 8 . 1 1 59 59 GLY N N 59 108.403 108.403 108.819 -0.416 17554 4371 1 8 . 1 1 59 59 GLY CA C 59 45.210 45.210 44.657 0.553 17554 4372 1 8 . 1 1 59 59 GLY H H 59 7.871 7.871 7.765 0.106 17554 4373 1 8 . 1 1 60 60 ALA N N 60 123.835 123.835 122.414 1.421 17554 4374 1 8 . 1 1 60 60 ALA HA H 60 4.294 4.294 4.363 -0.069 17554 4375 1 8 . 1 1 60 60 ALA CA C 60 52.710 52.710 52.786 -0.076 17554 4376 1 8 . 1 1 60 60 ALA CB C 60 19.353 19.353 19.121 0.232 17554 4377 1 8 . 1 1 60 60 ALA H H 60 8.207 8.207 8.306 -0.099 17554 4378 1 8 . 1 1 61 61 ALA N N 61 123.032 123.032 122.557 0.475 17554 4379 1 8 . 1 1 61 61 ALA HA H 61 4.316 4.316 4.194 0.122 17554 4380 1 8 . 1 1 61 61 ALA CA C 61 52.751 52.751 51.920 0.831 17554 4381 1 8 . 1 1 61 61 ALA CB C 61 19.096 19.096 18.108 0.988 17554 4382 1 8 . 1 1 61 61 ALA H H 61 8.331 8.331 8.157 0.174 17554 4383 1 8 . 1 1 62 62 SER N N 62 114.625 114.625 114.755 -0.130 17554 4384 1 8 . 1 1 62 62 SER HA H 62 4.406 4.406 4.602 -0.196 17554 4385 1 8 . 1 1 62 62 SER CA C 62 58.283 58.283 58.172 0.111 17554 4386 1 8 . 1 1 62 62 SER CB C 62 63.858 63.858 64.258 -0.400 17554 4387 1 8 . 1 1 62 62 SER H H 62 8.158 8.158 7.977 0.181 17554 4388 1 8 . 1 1 63 63 ALA N N 63 125.890 125.890 126.078 -0.188 17554 4389 1 8 . 1 1 63 63 ALA HA H 63 4.314 4.314 4.439 -0.125 17554 4390 1 8 . 1 1 63 63 ALA CA C 63 52.926 52.926 52.299 0.627 17554 4391 1 8 . 1 1 63 63 ALA CB C 63 19.216 19.216 20.143 -0.927 17554 4392 1 8 . 1 1 63 63 ALA H H 63 8.294 8.294 8.457 -0.163 17554 4393 1 8 . 1 1 64 64 GLY N N 64 107.980 107.980 108.128 -0.148 17554 4394 1 8 . 1 1 64 64 GLY CA C 64 45.324 45.324 45.773 -0.449 17554 4395 1 8 . 1 1 64 64 GLY H H 64 8.321 8.321 8.226 0.095 17554 4396 1 8 . 1 1 65 65 ALA N N 65 123.524 123.524 123.690 -0.166 17554 4397 1 8 . 1 1 65 65 ALA HA H 65 4.330 4.330 4.137 0.193 17554 4398 1 8 . 1 1 65 65 ALA CA C 65 52.589 52.589 52.338 0.251 17554 4399 1 8 . 1 1 65 65 ALA CB C 65 19.438 19.438 17.907 1.532 17554 4400 1 8 . 1 1 65 65 ALA H H 65 8.088 8.088 8.337 -0.249 17554 4401 1 8 . 1 1 66 66 SER N N 66 115.072 115.072 114.774 0.298 17554 4402 1 8 . 1 1 66 66 SER HA H 66 4.442 4.442 4.519 -0.077 17554 4403 1 8 . 1 1 66 66 SER CA C 66 58.334 58.334 58.014 0.320 17554 4404 1 8 . 1 1 66 66 SER CB C 66 63.804 63.804 64.204 -0.400 17554 4405 1 8 . 1 1 66 66 SER H H 66 8.297 8.297 7.871 0.426 17554 4406 1 8 . 1 1 67 67 VAL N N 67 121.228 121.228 120.734 0.494 17554 4407 1 8 . 1 1 67 67 VAL HA H 67 4.075 4.075 3.740 0.335 17554 4408 1 8 . 1 1 67 67 VAL CA C 67 62.417 62.417 63.299 -0.882 17554 4409 1 8 . 1 1 67 67 VAL CB C 67 32.611 32.611 30.971 1.640 17554 4410 1 8 . 1 1 67 67 VAL H H 67 8.007 8.007 8.314 -0.307 17554 4411 1 8 . 1 1 68 68 PHE N N 68 123.068 123.068 119.800 3.268 17554 4412 1 8 . 1 1 68 68 PHE HA H 68 4.618 4.618 4.700 -0.082 17554 4413 1 8 . 1 1 68 68 PHE CA C 68 57.981 57.981 56.499 1.482 17554 4414 1 8 . 1 1 68 68 PHE CB C 68 39.618 39.618 39.303 0.315 17554 4415 1 8 . 1 1 68 68 PHE H H 68 8.255 8.255 7.568 0.687 17554 4416 1 8 . 1 1 69 69 GLY N N 69 110.709 110.709 109.934 0.775 17554 4417 1 8 . 1 1 69 69 GLY CA C 69 45.339 45.339 44.542 0.797 17554 4418 1 8 . 1 1 69 69 GLY H H 69 8.234 8.234 8.779 -0.545 17554 4419 1 8 . 1 1 70 70 ALA N N 70 123.857 123.857 129.762 -5.905 17554 4420 1 8 . 1 1 70 70 ALA HA H 70 4.348 4.348 4.574 -0.226 17554 4421 1 8 . 1 1 70 70 ALA CA C 70 52.626 52.626 51.705 0.921 17554 4422 1 8 . 1 1 70 70 ALA CB C 70 19.386 19.386 18.398 0.987 17554 4423 1 8 . 1 1 70 70 ALA H H 70 8.140 8.140 7.987 0.153 17554 4424 1 8 . 1 1 71 71 SER N N 71 115.019 115.019 118.396 -3.377 17554 4425 1 8 . 1 1 71 71 SER HA H 71 4.441 4.441 4.414 0.027 17554 4426 1 8 . 1 1 71 71 SER CA C 71 58.592 58.592 59.803 -1.211 17554 4427 1 8 . 1 1 71 71 SER CB C 71 63.975 63.975 63.831 0.144 17554 4428 1 8 . 1 1 71 71 SER H H 71 8.379 8.379 8.130 0.249 17554 4429 1 8 . 1 1 72 72 GLY N N 72 110.640 110.640 110.526 0.114 17554 4430 1 8 . 1 1 72 72 GLY CA C 72 45.546 45.546 44.511 1.035 17554 4431 1 8 . 1 1 72 72 GLY H H 72 8.395 8.395 8.224 0.171 17554 4432 1 8 . 1 1 73 73 LEU N N 73 121.191 121.191 122.112 -0.921 17554 4433 1 8 . 1 1 73 73 LEU HA H 73 4.319 4.319 4.243 0.076 17554 4434 1 8 . 1 1 73 73 LEU CA C 73 55.292 55.292 56.475 -1.183 17554 4435 1 8 . 1 1 73 73 LEU CB C 73 42.355 42.355 41.997 0.358 17554 4436 1 8 . 1 1 73 73 LEU H H 73 8.088 8.088 8.553 -0.465 17554 4437 1 8 . 1 1 74 74 ASP N N 74 120.099 120.099 114.253 5.846 17554 4438 1 8 . 1 1 74 74 ASP HA H 74 4.549 4.549 4.623 -0.074 17554 4439 1 8 . 1 1 74 74 ASP CA C 74 54.451 54.451 53.965 0.486 17554 4440 1 8 . 1 1 74 74 ASP CB C 74 41.071 41.071 42.562 -1.491 17554 4441 1 8 . 1 1 74 74 ASP H H 74 8.312 8.312 7.924 0.388 17554 4442 1 8 . 1 1 75 75 ASN N N 75 118.544 118.544 121.194 -2.650 17554 4443 1 8 . 1 1 75 75 ASN HA H 75 4.627 4.627 4.712 -0.085 17554 4444 1 8 . 1 1 75 75 ASN CA C 75 53.043 53.043 52.404 0.639 17554 4445 1 8 . 1 1 75 75 ASN CB C 75 38.723 38.723 38.267 0.456 17554 4446 1 8 . 1 1 75 75 ASN H H 75 8.254 8.254 8.487 -0.233 17554 4447 1 8 . 1 1 76 76 GLN N N 76 121.475 121.475 123.059 -1.584 17554 4448 1 8 . 1 1 76 76 GLN HA H 76 4.527 4.527 4.484 0.043 17554 4449 1 8 . 1 1 76 76 GLN CA C 76 53.613 53.613 54.821 -1.208 17554 4450 1 8 . 1 1 76 76 GLN CB C 76 28.697 28.697 29.319 -0.622 17554 4451 1 8 . 1 1 76 76 GLN H H 76 8.228 8.228 7.678 0.550 17554 4452 1 8 . 1 1 77 77 PRO HA H 77 4.566 4.566 4.590 -0.024 17554 4453 1 8 . 1 1 77 77 PRO CA C 77 61.219 61.219 61.878 -0.659 17554 4454 1 8 . 1 1 77 77 PRO CB C 77 31.453 31.453 31.183 0.269 17554 4455 1 8 . 1 1 78 78 PRO HA H 78 4.449 4.449 4.465 -0.017 17554 4456 1 8 . 1 1 78 78 PRO CA C 78 62.743 62.743 62.935 -0.192 17554 4457 1 8 . 1 1 78 78 PRO CB C 78 32.168 32.168 31.775 0.393 17554 4458 1 8 . 1 1 79 79 GLU N N 79 127.716 127.716 126.841 0.875 17554 4459 1 8 . 1 1 79 79 GLU HA H 79 3.843 3.843 3.809 0.034 17554 4460 1 8 . 1 1 79 79 GLU CA C 79 59.074 59.074 59.943 -0.869 17554 4461 1 8 . 1 1 79 79 GLU CB C 79 28.921 28.921 28.804 0.117 17554 4462 1 8 . 1 1 79 79 GLU H H 79 9.073 9.073 8.920 0.153 17554 4463 1 8 . 1 1 80 80 GLU N N 80 117.579 117.579 120.226 -2.647 17554 4464 1 8 . 1 1 80 80 GLU HA H 80 4.120 4.120 4.104 0.016 17554 4465 1 8 . 1 1 80 80 GLU CA C 80 59.468 59.468 59.188 0.280 17554 4466 1 8 . 1 1 80 80 GLU CB C 80 28.680 28.680 29.148 -0.468 17554 4467 1 8 . 1 1 80 80 GLU H H 80 9.604 9.604 8.752 0.852 17554 4468 1 8 . 1 1 81 81 ILE N N 81 117.488 117.488 119.670 -2.182 17554 4469 1 8 . 1 1 81 81 ILE HA H 81 4.068 4.068 3.866 0.202 17554 4470 1 8 . 1 1 81 81 ILE CA C 81 63.261 63.261 64.355 -1.094 17554 4471 1 8 . 1 1 81 81 ILE CB C 81 37.248 37.248 38.347 -1.099 17554 4472 1 8 . 1 1 81 81 ILE H H 81 7.172 7.172 7.621 -0.449 17554 4473 1 8 . 1 1 82 82 VAL N N 82 121.739 121.739 118.808 2.931 17554 4474 1 8 . 1 1 82 82 VAL HA H 82 3.143 3.143 3.655 -0.512 17554 4475 1 8 . 1 1 82 82 VAL CA C 82 67.507 67.507 66.575 0.933 17554 4476 1 8 . 1 1 82 82 VAL CB C 82 31.816 31.816 31.300 0.516 17554 4477 1 8 . 1 1 82 82 VAL H H 82 7.591 7.591 8.601 -1.010 17554 4478 1 8 . 1 1 83 83 ALA N N 83 118.311 118.311 123.204 -4.893 17554 4479 1 8 . 1 1 83 83 ALA HA H 83 4.341 4.341 4.009 0.332 17554 4480 1 8 . 1 1 83 83 ALA CA C 83 54.186 54.186 55.208 -1.022 17554 4481 1 8 . 1 1 83 83 ALA CB C 83 18.026 18.026 18.193 -0.167 17554 4482 1 8 . 1 1 83 83 ALA H H 83 8.260 8.260 7.972 0.288 17554 4483 1 8 . 1 1 84 84 ILE N N 84 119.780 119.780 119.554 0.226 17554 4484 1 8 . 1 1 84 84 ILE HA H 84 3.737 3.737 3.607 0.130 17554 4485 1 8 . 1 1 84 84 ILE CA C 84 65.095 65.095 65.523 -0.428 17554 4486 1 8 . 1 1 84 84 ILE CB C 84 38.070 38.070 38.001 0.070 17554 4487 1 8 . 1 1 84 84 ILE H H 84 7.298 7.298 7.736 -0.438 17554 4488 1 8 . 1 1 85 85 ILE N N 85 119.424 119.424 119.244 0.180 17554 4489 1 8 . 1 1 85 85 ILE HA H 85 3.884 3.884 3.763 0.121 17554 4490 1 8 . 1 1 85 85 ILE CA C 85 66.207 66.207 65.880 0.327 17554 4491 1 8 . 1 1 85 85 ILE CB C 85 38.043 38.043 37.983 0.060 17554 4492 1 8 . 1 1 85 85 ILE H H 85 7.426 7.426 8.508 -1.082 17554 4493 1 8 . 1 1 86 86 THR N N 86 112.538 112.538 114.351 -1.813 17554 4494 1 8 . 1 1 86 86 THR HA H 86 4.669 4.669 4.341 0.328 17554 4495 1 8 . 1 1 86 86 THR CA C 86 64.995 64.995 65.337 -0.342 17554 4496 1 8 . 1 1 86 86 THR CB C 86 68.293 68.293 68.572 -0.279 17554 4497 1 8 . 1 1 86 86 THR H H 86 9.097 9.097 8.315 0.782 17554 4498 1 8 . 1 1 87 87 SER N N 87 120.681 120.681 116.792 3.889 17554 4499 1 8 . 1 1 87 87 SER HA H 87 4.397 4.397 4.325 0.072 17554 4500 1 8 . 1 1 87 87 SER CA C 87 61.715 61.715 60.724 0.992 17554 4501 1 8 . 1 1 87 87 SER CB C 87 62.804 62.804 63.021 -0.217 17554 4502 1 8 . 1 1 87 87 SER H H 87 8.250 8.250 8.189 0.061 17554 4503 1 8 . 1 1 88 88 MET N N 88 119.753 119.753 118.461 1.292 17554 4504 1 8 . 1 1 88 88 MET HA H 88 4.399 4.399 4.328 0.071 17554 4505 1 8 . 1 1 88 88 MET CA C 88 56.596 56.596 55.680 0.916 17554 4506 1 8 . 1 1 88 88 MET CB C 88 33.330 33.330 32.683 0.647 17554 4507 1 8 . 1 1 88 88 MET H H 88 7.550 7.550 7.694 -0.144 17554 4508 1 8 . 1 1 89 89 GLY N N 89 105.282 105.282 103.519 1.763 17554 4509 1 8 . 1 1 89 89 GLY CA C 89 44.767 44.767 44.633 0.134 17554 4510 1 8 . 1 1 89 89 GLY H H 89 7.866 7.866 7.511 0.355 17554 4511 1 8 . 1 1 90 90 PHE N N 90 118.182 118.182 119.744 -1.562 17554 4512 1 8 . 1 1 90 90 PHE HA H 90 4.721 4.721 4.889 -0.168 17554 4513 1 8 . 1 1 90 90 PHE CA C 90 57.670 57.670 56.716 0.954 17554 4514 1 8 . 1 1 90 90 PHE CB C 90 39.706 39.706 40.942 -1.236 17554 4515 1 8 . 1 1 90 90 PHE H H 90 6.675 6.675 7.586 -0.911 17554 4516 1 8 . 1 1 91 91 GLN N N 91 118.581 118.581 117.984 0.597 17554 4517 1 8 . 1 1 91 91 GLN HA H 91 4.356 4.356 4.675 -0.319 17554 4518 1 8 . 1 1 91 91 GLN CA C 91 55.485 55.485 54.450 1.035 17554 4519 1 8 . 1 1 91 91 GLN CB C 91 29.969 29.969 31.707 -1.738 17554 4520 1 8 . 1 1 91 91 GLN H H 91 8.854 8.854 8.416 0.438 17554 4521 1 8 . 1 1 92 92 ARG N N 92 124.037 124.037 127.399 -3.362 17554 4522 1 8 . 1 1 92 92 ARG HA H 92 3.624 3.624 3.948 -0.324 17554 4523 1 8 . 1 1 92 92 ARG CA C 92 60.847 60.847 60.719 0.128 17554 4524 1 8 . 1 1 92 92 ARG CB C 92 29.579 29.579 29.956 -0.377 17554 4525 1 8 . 1 1 92 92 ARG H H 92 9.124 9.124 8.906 0.218 17554 4526 1 8 . 1 1 93 93 ASN N N 93 115.060 115.060 117.654 -2.594 17554 4527 1 8 . 1 1 93 93 ASN HA H 93 4.395 4.395 4.475 -0.080 17554 4528 1 8 . 1 1 93 93 ASN CA C 93 56.562 56.562 56.295 0.267 17554 4529 1 8 . 1 1 93 93 ASN CB C 93 37.059 37.059 37.898 -0.839 17554 4530 1 8 . 1 1 93 93 ASN H H 93 9.117 9.117 8.656 0.461 17554 4531 1 8 . 1 1 94 94 GLN N N 94 119.980 119.980 119.463 0.517 17554 4532 1 8 . 1 1 94 94 GLN HA H 94 3.933 3.933 4.143 -0.210 17554 4533 1 8 . 1 1 94 94 GLN CA C 94 58.775 58.775 59.154 -0.379 17554 4534 1 8 . 1 1 94 94 GLN CB C 94 29.075 29.075 28.510 0.565 17554 4535 1 8 . 1 1 94 94 GLN H H 94 7.033 7.033 8.495 -1.462 17554 4536 1 8 . 1 1 95 95 ALA N N 95 120.823 120.823 122.993 -2.170 17554 4537 1 8 . 1 1 95 95 ALA HA H 95 3.761 3.761 4.030 -0.269 17554 4538 1 8 . 1 1 95 95 ALA CA C 95 55.680 55.680 55.201 0.479 17554 4539 1 8 . 1 1 95 95 ALA CB C 95 19.601 19.601 18.530 1.071 17554 4540 1 8 . 1 1 95 95 ALA H H 95 7.996 7.996 8.425 -0.429 17554 4541 1 8 . 1 1 96 96 ILE N N 96 116.250 116.250 120.228 -3.978 17554 4542 1 8 . 1 1 96 96 ILE HA H 96 3.420 3.420 3.530 -0.110 17554 4543 1 8 . 1 1 96 96 ILE CA C 96 65.611 65.611 66.112 -0.501 17554 4544 1 8 . 1 1 96 96 ILE CB C 96 37.869 37.869 37.897 -0.028 17554 4545 1 8 . 1 1 96 96 ILE H H 96 8.408 8.408 8.350 0.058 17554 4546 1 8 . 1 1 97 97 GLN N N 97 118.601 118.601 119.344 -0.743 17554 4547 1 8 . 1 1 97 97 GLN HA H 97 3.734 3.734 3.820 -0.086 17554 4548 1 8 . 1 1 97 97 GLN CA C 97 59.011 59.011 59.486 -0.475 17554 4549 1 8 . 1 1 97 97 GLN CB C 97 28.425 28.425 28.703 -0.278 17554 4550 1 8 . 1 1 97 97 GLN H H 97 7.767 7.767 8.383 -0.616 17554 4551 1 8 . 1 1 98 98 ALA N N 98 121.375 121.375 122.692 -1.317 17554 4552 1 8 . 1 1 98 98 ALA HA H 98 2.748 2.748 3.851 -1.103 17554 4553 1 8 . 1 1 98 98 ALA CA C 98 54.408 54.408 55.153 -0.744 17554 4554 1 8 . 1 1 98 98 ALA CB C 98 20.084 20.084 18.506 1.578 17554 4555 1 8 . 1 1 98 98 ALA H H 98 7.905 7.905 7.954 -0.048 17554 4556 1 8 . 1 1 99 99 LEU N N 99 118.409 118.409 118.947 -0.538 17554 4557 1 8 . 1 1 99 99 LEU HA H 99 3.717 3.717 4.052 -0.335 17554 4558 1 8 . 1 1 99 99 LEU CA C 99 57.529 57.529 57.192 0.337 17554 4559 1 8 . 1 1 99 99 LEU CB C 99 40.714 40.714 41.350 -0.636 17554 4560 1 8 . 1 1 99 99 LEU H H 99 7.938 7.938 8.442 -0.504 17554 4561 1 8 . 1 1 100 100 ARG N N 100 119.771 119.771 119.766 0.005 17554 4562 1 8 . 1 1 100 100 ARG HA H 100 4.107 4.107 3.860 0.247 17554 4563 1 8 . 1 1 100 100 ARG CA C 100 59.182 59.182 59.517 -0.335 17554 4564 1 8 . 1 1 100 100 ARG CB C 100 30.021 30.021 29.916 0.105 17554 4565 1 8 . 1 1 100 100 ARG H H 100 8.248 8.248 8.430 -0.182 17554 4566 1 8 . 1 1 101 101 ALA N N 101 119.288 119.288 119.361 -0.073 17554 4567 1 8 . 1 1 101 101 ALA HA H 101 3.983 3.983 3.987 -0.004 17554 4568 1 8 . 1 1 101 101 ALA CA C 101 53.663 53.663 53.986 -0.323 17554 4569 1 8 . 1 1 101 101 ALA CB C 101 17.946 17.946 17.858 0.088 17554 4570 1 8 . 1 1 101 101 ALA H H 101 7.324 7.324 7.297 0.027 17554 4571 1 8 . 1 1 102 102 THR N N 102 105.233 105.233 108.907 -3.674 17554 4572 1 8 . 1 1 102 102 THR HA H 102 4.429 4.429 4.035 0.394 17554 4573 1 8 . 1 1 102 102 THR CA C 102 60.535 60.535 62.974 -2.439 17554 4574 1 8 . 1 1 102 102 THR CB C 102 71.036 71.036 69.587 1.449 17554 4575 1 8 . 1 1 102 102 THR H H 102 7.113 7.113 7.672 -0.559 17554 4576 1 8 . 1 1 103 103 ASN N N 103 119.293 119.293 120.029 -0.736 17554 4577 1 8 . 1 1 103 103 ASN HA H 103 4.343 4.343 4.311 0.032 17554 4578 1 8 . 1 1 103 103 ASN CA C 103 54.462 54.462 54.074 0.388 17554 4579 1 8 . 1 1 103 103 ASN CB C 103 36.960 36.960 36.922 0.038 17554 4580 1 8 . 1 1 103 103 ASN H H 103 7.701 7.701 7.903 -0.202 17554 4581 1 8 . 1 1 104 104 ASN N N 104 108.274 108.274 112.626 -4.352 17554 4582 1 8 . 1 1 104 104 ASN HA H 104 3.956 3.956 4.353 -0.397 17554 4583 1 8 . 1 1 104 104 ASN CA C 104 54.757 54.757 54.422 0.335 17554 4584 1 8 . 1 1 104 104 ASN CB C 104 36.151 36.151 37.562 -1.411 17554 4585 1 8 . 1 1 104 104 ASN H H 104 9.048 9.048 8.802 0.246 17554 4586 1 8 . 1 1 105 105 ASN N N 105 118.458 118.458 118.428 0.030 17554 4587 1 8 . 1 1 105 105 ASN HA H 105 4.728 4.728 4.767 -0.039 17554 4588 1 8 . 1 1 105 105 ASN CA C 105 53.081 53.081 52.764 0.317 17554 4589 1 8 . 1 1 105 105 ASN CB C 105 40.405 40.405 39.357 1.048 17554 4590 1 8 . 1 1 105 105 ASN H H 105 7.061 7.061 7.597 -0.536 17554 4591 1 8 . 1 1 106 106 LEU N N 106 128.727 128.727 128.581 0.146 17554 4592 1 8 . 1 1 106 106 LEU HA H 106 3.732 3.732 4.021 -0.289 17554 4593 1 8 . 1 1 106 106 LEU CA C 106 59.307 59.307 59.043 0.264 17554 4594 1 8 . 1 1 106 106 LEU CB C 106 42.071 42.071 42.169 -0.098 17554 4595 1 8 . 1 1 106 106 LEU H H 106 8.718 8.718 8.620 0.098 17554 4596 1 8 . 1 1 107 107 GLU N N 107 117.325 117.325 118.296 -0.971 17554 4597 1 8 . 1 1 107 107 GLU HA H 107 3.890 3.890 3.949 -0.059 17554 4598 1 8 . 1 1 107 107 GLU CA C 107 60.871 60.871 59.739 1.133 17554 4599 1 8 . 1 1 107 107 GLU CB C 107 28.881 28.881 28.887 -0.005 17554 4600 1 8 . 1 1 107 107 GLU H H 107 8.390 8.390 8.298 0.092 17554 4601 1 8 . 1 1 108 108 ARG N N 108 117.912 117.912 119.939 -2.027 17554 4602 1 8 . 1 1 108 108 ARG HA H 108 4.265 4.265 4.120 0.145 17554 4603 1 8 . 1 1 108 108 ARG CA C 108 58.748 58.748 59.036 -0.288 17554 4604 1 8 . 1 1 108 108 ARG CB C 108 30.650 30.650 30.216 0.434 17554 4605 1 8 . 1 1 108 108 ARG H H 108 8.410 8.410 9.143 -0.733 17554 4606 1 8 . 1 1 109 109 ALA N N 109 127.124 127.124 123.169 3.955 17554 4607 1 8 . 1 1 109 109 ALA HA H 109 3.900 3.900 4.124 -0.224 17554 4608 1 8 . 1 1 109 109 ALA CA C 109 55.518 55.518 55.292 0.226 17554 4609 1 8 . 1 1 109 109 ALA CB C 109 17.772 17.772 18.341 -0.569 17554 4610 1 8 . 1 1 109 109 ALA H H 109 9.083 9.083 8.036 1.047 17554 4611 1 8 . 1 1 110 110 LEU N N 110 118.715 118.715 119.074 -0.359 17554 4612 1 8 . 1 1 110 110 LEU HA H 110 3.777 3.777 3.795 -0.018 17554 4613 1 8 . 1 1 110 110 LEU CA C 110 57.997 57.997 58.053 -0.056 17554 4614 1 8 . 1 1 110 110 LEU CB C 110 40.963 40.963 41.405 -0.442 17554 4615 1 8 . 1 1 110 110 LEU H H 110 8.215 8.215 8.064 0.151 17554 4616 1 8 . 1 1 111 111 ASP N N 111 118.516 118.516 119.731 -1.215 17554 4617 1 8 . 1 1 111 111 ASP HA H 111 4.484 4.484 4.385 0.099 17554 4618 1 8 . 1 1 111 111 ASP CA C 111 57.634 57.634 58.172 -0.538 17554 4619 1 8 . 1 1 111 111 ASP CB C 111 41.026 41.026 40.978 0.048 17554 4620 1 8 . 1 1 111 111 ASP H H 111 7.400 7.400 8.389 -0.989 17554 4621 1 8 . 1 1 112 112 TRP N N 112 122.780 122.780 120.972 1.808 17554 4622 1 8 . 1 1 112 112 TRP HA H 112 4.097 4.097 4.382 -0.285 17554 4623 1 8 . 1 1 112 112 TRP CA C 112 62.365 62.365 61.221 1.143 17554 4624 1 8 . 1 1 112 112 TRP CB C 112 29.490 29.490 29.933 -0.444 17554 4625 1 8 . 1 1 112 112 TRP H H 112 8.525 8.525 8.305 0.220 17554 4626 1 8 . 1 1 113 113 ILE N N 113 122.469 122.469 116.974 5.495 17554 4627 1 8 . 1 1 113 113 ILE HA H 113 3.575 3.575 3.604 -0.029 17554 4628 1 8 . 1 1 113 113 ILE CA C 113 66.239 66.239 64.807 1.432 17554 4629 1 8 . 1 1 113 113 ILE CB C 113 37.688 37.688 37.441 0.247 17554 4630 1 8 . 1 1 113 113 ILE H H 113 8.618 8.618 8.476 0.142 17554 4631 1 8 . 1 1 114 114 PHE N N 114 118.665 118.665 120.974 -2.309 17554 4632 1 8 . 1 1 114 114 PHE HA H 114 4.386 4.386 4.187 0.199 17554 4633 1 8 . 1 1 114 114 PHE CA C 114 60.111 60.111 60.648 -0.537 17554 4634 1 8 . 1 1 114 114 PHE CB C 114 38.344 38.344 39.262 -0.918 17554 4635 1 8 . 1 1 114 114 PHE H H 114 8.109 8.109 8.377 -0.268 17554 4636 1 8 . 1 1 115 115 SER N N 115 111.172 111.172 111.777 -0.605 17554 4637 1 8 . 1 1 115 115 SER HA H 115 4.333 4.333 4.219 0.114 17554 4638 1 8 . 1 1 115 115 SER CA C 115 58.593 58.593 59.453 -0.860 17554 4639 1 8 . 1 1 115 115 SER CB C 115 64.067 64.067 63.267 0.800 17554 4640 1 8 . 1 1 115 115 SER H H 115 7.723 7.723 7.703 0.020 17554 4641 1 8 . 1 1 116 116 HIS N N 116 119.686 119.686 118.886 0.800 17554 4642 1 8 . 1 1 116 116 HIS HA H 116 4.749 4.749 4.934 -0.185 17554 4643 1 8 . 1 1 116 116 HIS CA C 116 54.476 54.476 53.720 0.756 17554 4644 1 8 . 1 1 116 116 HIS CB C 116 27.310 27.310 30.383 -3.073 17554 4645 1 8 . 1 1 116 116 HIS H H 116 7.407 7.407 7.410 -0.003 17554 4646 1 8 . 1 1 117 117 PRO HA H 117 4.465 4.465 4.192 0.273 17554 4647 1 8 . 1 1 117 117 PRO CA C 117 64.170 64.170 64.909 -0.739 17554 4648 1 8 . 1 1 117 117 PRO CB C 117 31.939 31.939 32.492 -0.553 17554 4649 1 8 . 1 1 118 118 GLU N N 118 119.986 119.986 113.032 6.954 17554 4650 1 8 . 1 1 118 118 GLU HA H 118 4.338 4.338 4.299 0.039 17554 4651 1 8 . 1 1 118 118 GLU CA C 118 56.440 56.440 56.609 -0.169 17554 4652 1 8 . 1 1 118 118 GLU CB C 118 29.469 29.469 30.459 -0.990 17554 4653 1 8 . 1 1 118 118 GLU H H 118 8.667 8.667 7.988 0.679 17554 4654 1 8 . 1 1 119 119 PHE N N 119 121.581 121.581 121.160 0.421 17554 4655 1 8 . 1 1 119 119 PHE HA H 119 4.632 4.632 4.804 -0.172 17554 4656 1 8 . 1 1 119 119 PHE CA C 119 57.981 57.981 57.609 0.371 17554 4657 1 8 . 1 1 119 119 PHE CB C 119 39.805 39.805 40.177 -0.372 17554 4658 1 8 . 1 1 119 119 PHE H H 119 8.054 8.054 7.925 0.129 17554 4659 1 8 . 1 1 120 120 GLU N N 120 123.882 123.882 117.227 6.655 17554 4660 1 8 . 1 1 120 120 GLU HA H 120 4.273 4.273 3.935 0.338 17554 4661 1 8 . 1 1 120 120 GLU CA C 120 56.127 56.127 57.398 -1.270 17554 4662 1 8 . 1 1 120 120 GLU CB C 120 30.789 30.789 29.383 1.406 17554 4663 1 8 . 1 1 120 120 GLU H H 120 8.264 8.264 7.859 0.405 17554 4664 1 8 . 1 1 121 121 GLU N N 121 122.504 122.504 120.545 1.959 17554 4665 1 8 . 1 1 121 121 GLU HA H 121 4.213 4.213 4.261 -0.048 17554 4666 1 8 . 1 1 121 121 GLU CA C 121 56.634 56.634 56.009 0.625 17554 4667 1 8 . 1 1 121 121 GLU CB C 121 30.580 30.580 30.165 0.415 17554 4668 1 8 . 1 1 121 121 GLU H H 121 8.398 8.398 8.316 0.082 17554 4669 1 8 . 1 1 122 122 ASP N N 122 121.820 121.820 121.068 0.752 17554 4670 1 8 . 1 1 122 122 ASP HA H 122 4.627 4.627 4.692 -0.065 17554 4671 1 8 . 1 1 122 122 ASP CA C 122 54.443 54.443 53.764 0.679 17554 4672 1 8 . 1 1 122 122 ASP CB C 122 41.237 41.237 41.239 -0.002 17554 4673 1 8 . 1 1 122 122 ASP H H 122 8.478 8.478 8.421 0.057 17554 4674 1 8 . 1 1 123 123 SER N N 123 116.397 116.397 120.526 -4.129 17554 4675 1 8 . 1 1 123 123 SER HA H 123 4.392 4.392 4.352 0.040 17554 4676 1 8 . 1 1 123 123 SER CA C 123 58.605 58.605 57.998 0.607 17554 4677 1 8 . 1 1 123 123 SER CB C 123 64.064 64.064 63.972 0.092 17554 4678 1 8 . 1 1 123 123 SER H H 123 8.236 8.236 8.187 0.049 17554 4679 1 8 . 1 1 124 124 ASP N N 124 122.070 122.070 121.947 0.123 17554 4680 1 8 . 1 1 124 124 ASP HA H 124 4.599 4.599 4.436 0.163 17554 4681 1 8 . 1 1 124 124 ASP CA C 124 54.501 54.501 54.933 -0.432 17554 4682 1 8 . 1 1 124 124 ASP CB C 124 41.106 41.106 40.946 0.160 17554 4683 1 8 . 1 1 124 124 ASP H H 124 8.378 8.378 8.509 -0.131 17554 4684 1 8 . 1 1 125 125 PHE N N 125 120.274 120.274 122.977 -2.703 17554 4685 1 8 . 1 1 125 125 PHE HA H 125 4.623 4.623 4.723 -0.100 17554 4686 1 8 . 1 1 125 125 PHE CA C 125 57.913 57.913 58.191 -0.278 17554 4687 1 8 . 1 1 125 125 PHE CB C 125 39.601 39.601 39.254 0.347 17554 4688 1 8 . 1 1 125 125 PHE H H 125 8.049 8.049 8.230 -0.181 17554 4689 1 9 . 1 1 2 2 ILE N N 2 117.266 117.266 122.043 -4.777 17554 4690 1 9 . 1 1 2 2 ILE HA H 2 3.919 3.919 4.106 -0.187 17554 4691 1 9 . 1 1 2 2 ILE CA C 2 60.653 60.653 62.194 -1.541 17554 4692 1 9 . 1 1 2 2 ILE CB C 2 41.029 41.029 38.133 2.896 17554 4693 1 9 . 1 1 2 2 ILE H H 2 7.746 7.746 8.416 -0.670 17554 4694 1 9 . 1 1 3 3 ASP N N 3 125.895 125.895 130.273 -4.378 17554 4695 1 9 . 1 1 3 3 ASP HA H 3 4.606 4.606 4.690 -0.084 17554 4696 1 9 . 1 1 3 3 ASP CA C 3 54.349 54.349 54.432 -0.083 17554 4697 1 9 . 1 1 3 3 ASP CB C 3 41.214 41.214 39.852 1.361 17554 4698 1 9 . 1 1 3 3 ASP H H 3 8.328 8.328 8.745 -0.417 17554 4699 1 9 . 1 1 4 4 GLU N N 4 128.620 128.620 123.001 5.619 17554 4700 1 9 . 1 1 4 4 GLU HA H 4 3.948 3.948 3.997 -0.049 17554 4701 1 9 . 1 1 4 4 GLU CA C 4 58.981 58.981 58.687 0.294 17554 4702 1 9 . 1 1 4 4 GLU CB C 4 29.631 29.631 29.606 0.025 17554 4703 1 9 . 1 1 4 4 GLU H H 4 8.991 8.991 7.911 1.080 17554 4704 1 9 . 1 1 5 5 SER N N 5 115.342 115.342 115.459 -0.117 17554 4705 1 9 . 1 1 5 5 SER HA H 5 4.254 4.254 4.188 0.066 17554 4706 1 9 . 1 1 5 5 SER CA C 5 61.961 61.961 61.302 0.659 17554 4707 1 9 . 1 1 5 5 SER CB C 5 62.222 62.222 62.644 -0.422 17554 4708 1 9 . 1 1 5 5 SER H H 5 8.634 8.634 8.439 0.195 17554 4709 1 9 . 1 1 6 6 SER N N 6 119.418 119.418 117.784 1.634 17554 4710 1 9 . 1 1 6 6 SER HA H 6 4.354 4.354 4.162 0.192 17554 4711 1 9 . 1 1 6 6 SER CA C 6 61.729 61.729 62.165 -0.436 17554 4712 1 9 . 1 1 6 6 SER CB C 6 63.366 63.366 63.030 0.336 17554 4713 1 9 . 1 1 6 6 SER H H 6 7.670 7.670 7.811 -0.141 17554 4714 1 9 . 1 1 7 7 VAL N N 7 120.774 120.774 122.309 -1.535 17554 4715 1 9 . 1 1 7 7 VAL HA H 7 3.234 3.234 3.853 -0.619 17554 4716 1 9 . 1 1 7 7 VAL CA C 7 67.151 67.151 65.062 2.089 17554 4717 1 9 . 1 1 7 7 VAL CB C 7 31.792 31.792 31.824 -0.032 17554 4718 1 9 . 1 1 7 7 VAL H H 7 7.286 7.286 7.785 -0.499 17554 4719 1 9 . 1 1 8 8 MET N N 8 116.159 116.159 118.638 -2.479 17554 4720 1 9 . 1 1 8 8 MET HA H 8 4.356 4.356 4.019 0.337 17554 4721 1 9 . 1 1 8 8 MET CA C 8 57.482 57.482 59.536 -2.054 17554 4722 1 9 . 1 1 8 8 MET CB C 8 31.341 31.341 32.102 -0.761 17554 4723 1 9 . 1 1 8 8 MET H H 8 8.244 8.244 7.886 0.358 17554 4724 1 9 . 1 1 9 9 GLN N N 9 119.708 119.708 118.847 0.861 17554 4725 1 9 . 1 1 9 9 GLN HA H 9 4.101 4.101 4.050 0.051 17554 4726 1 9 . 1 1 9 9 GLN CA C 9 59.331 59.331 58.533 0.798 17554 4727 1 9 . 1 1 9 9 GLN CB C 9 28.880 28.880 28.246 0.634 17554 4728 1 9 . 1 1 9 9 GLN H H 9 7.855 7.855 8.158 -0.303 17554 4729 1 9 . 1 1 10 10 LEU N N 10 118.986 118.986 119.561 -0.575 17554 4730 1 9 . 1 1 10 10 LEU HA H 10 4.463 4.463 4.128 0.335 17554 4731 1 9 . 1 1 10 10 LEU CA C 10 57.438 57.438 57.197 0.241 17554 4732 1 9 . 1 1 10 10 LEU CB C 10 42.943 42.943 41.556 1.387 17554 4733 1 9 . 1 1 10 10 LEU H H 10 7.432 7.432 7.830 -0.398 17554 4734 1 9 . 1 1 11 11 ALA N N 11 125.146 125.146 122.144 3.002 17554 4735 1 9 . 1 1 11 11 ALA HA H 11 4.411 4.411 4.407 0.004 17554 4736 1 9 . 1 1 11 11 ALA CA C 11 55.259 55.259 54.688 0.571 17554 4737 1 9 . 1 1 11 11 ALA CB C 11 17.734 17.734 18.473 -0.739 17554 4738 1 9 . 1 1 11 11 ALA H H 11 8.797 8.797 8.399 0.398 17554 4739 1 9 . 1 1 12 12 GLU N N 12 119.871 119.871 117.892 1.979 17554 4740 1 9 . 1 1 12 12 GLU HA H 12 4.117 4.117 4.070 0.047 17554 4741 1 9 . 1 1 12 12 GLU CA C 12 58.473 58.473 58.364 0.109 17554 4742 1 9 . 1 1 12 12 GLU CB C 12 29.531 29.531 29.413 0.118 17554 4743 1 9 . 1 1 12 12 GLU H H 12 8.178 8.178 8.342 -0.164 17554 4744 1 9 . 1 1 13 13 MET N N 13 116.292 116.292 112.621 3.671 17554 4745 1 9 . 1 1 13 13 MET HA H 13 4.296 4.296 4.781 -0.485 17554 4746 1 9 . 1 1 13 13 MET CA C 13 56.797 56.797 55.590 1.206 17554 4747 1 9 . 1 1 13 13 MET CB C 13 33.221 33.221 33.771 -0.550 17554 4748 1 9 . 1 1 13 13 MET H H 13 7.619 7.619 7.347 0.272 17554 4749 1 9 . 1 1 14 14 GLY N N 14 104.580 104.580 106.557 -1.977 17554 4750 1 9 . 1 1 14 14 GLY CA C 14 44.860 44.860 45.434 -0.574 17554 4751 1 9 . 1 1 14 14 GLY H H 14 7.873 7.873 7.632 0.241 17554 4752 1 9 . 1 1 15 15 PHE N N 15 118.802 118.802 118.158 0.644 17554 4753 1 9 . 1 1 15 15 PHE HA H 15 5.017 5.017 5.062 -0.045 17554 4754 1 9 . 1 1 15 15 PHE CA C 15 56.352 56.352 54.980 1.372 17554 4755 1 9 . 1 1 15 15 PHE CB C 15 39.395 39.395 41.163 -1.768 17554 4756 1 9 . 1 1 15 15 PHE H H 15 6.623 6.623 7.778 -1.155 17554 4757 1 9 . 1 1 16 16 PRO HA H 16 4.530 4.530 4.479 0.051 17554 4758 1 9 . 1 1 16 16 PRO CA C 16 63.064 63.064 62.866 0.198 17554 4759 1 9 . 1 1 16 16 PRO CB C 16 32.293 32.293 30.561 1.732 17554 4760 1 9 . 1 1 17 17 LEU N N 17 128.389 128.389 127.096 1.293 17554 4761 1 9 . 1 1 17 17 LEU HA H 17 3.945 3.945 4.427 -0.482 17554 4762 1 9 . 1 1 17 17 LEU CA C 17 59.601 59.601 53.777 5.824 17554 4763 1 9 . 1 1 17 17 LEU CB C 17 42.248 42.248 39.008 3.240 17554 4764 1 9 . 1 1 17 17 LEU H H 17 9.041 9.041 8.223 0.818 17554 4765 1 9 . 1 1 18 18 GLU N N 18 114.837 114.837 125.406 -10.569 17554 4766 1 9 . 1 1 18 18 GLU HA H 18 4.067 4.067 3.940 0.127 17554 4767 1 9 . 1 1 18 18 GLU CA C 18 59.139 59.139 59.699 -0.560 17554 4768 1 9 . 1 1 18 18 GLU CB C 18 28.874 28.874 29.665 -0.790 17554 4769 1 9 . 1 1 18 18 GLU H H 18 9.267 9.267 8.583 0.684 17554 4770 1 9 . 1 1 19 19 ALA N N 19 119.137 119.137 121.606 -2.469 17554 4771 1 9 . 1 1 19 19 ALA HA H 19 3.918 3.918 4.029 -0.111 17554 4772 1 9 . 1 1 19 19 ALA CA C 19 54.872 54.872 55.380 -0.508 17554 4773 1 9 . 1 1 19 19 ALA CB C 19 17.972 17.972 18.005 -0.033 17554 4774 1 9 . 1 1 19 19 ALA H H 19 6.838 6.838 8.026 -1.188 17554 4775 1 9 . 1 1 20 20 CYS N N 20 116.877 116.877 118.152 -1.275 17554 4776 1 9 . 1 1 20 20 CYS HA H 20 3.891 3.891 4.238 -0.347 17554 4777 1 9 . 1 1 20 20 CYS CA C 20 63.356 63.356 61.134 2.222 17554 4778 1 9 . 1 1 20 20 CYS CB C 20 28.018 28.018 26.520 1.498 17554 4779 1 9 . 1 1 20 20 CYS H H 20 7.610 7.610 8.320 -0.710 17554 4780 1 9 . 1 1 21 21 ARG N N 21 117.434 117.434 120.833 -3.399 17554 4781 1 9 . 1 1 21 21 ARG HA H 21 3.696 3.696 3.909 -0.213 17554 4782 1 9 . 1 1 21 21 ARG CA C 21 60.192 60.192 59.980 0.212 17554 4783 1 9 . 1 1 21 21 ARG CB C 21 30.175 30.175 30.012 0.162 17554 4784 1 9 . 1 1 21 21 ARG H H 21 7.965 7.965 7.705 0.260 17554 4785 1 9 . 1 1 22 22 LYS N N 22 117.667 117.667 118.925 -1.258 17554 4786 1 9 . 1 1 22 22 LYS HA H 22 3.412 3.412 4.076 -0.664 17554 4787 1 9 . 1 1 22 22 LYS CA C 22 60.181 60.181 59.234 0.946 17554 4788 1 9 . 1 1 22 22 LYS CB C 22 32.085 32.085 32.240 -0.155 17554 4789 1 9 . 1 1 22 22 LYS H H 22 7.392 7.392 8.447 -1.055 17554 4790 1 9 . 1 1 23 23 ALA N N 23 120.670 120.670 122.954 -2.284 17554 4791 1 9 . 1 1 23 23 ALA HA H 23 3.015 3.015 4.031 -1.016 17554 4792 1 9 . 1 1 23 23 ALA CA C 23 54.845 54.845 55.000 -0.155 17554 4793 1 9 . 1 1 23 23 ALA CB C 23 19.900 19.900 18.132 1.768 17554 4794 1 9 . 1 1 23 23 ALA H H 23 8.043 8.043 8.112 -0.069 17554 4795 1 9 . 1 1 24 24 VAL N N 24 117.629 117.629 120.048 -2.419 17554 4796 1 9 . 1 1 24 24 VAL HA H 24 3.510 3.510 3.591 -0.081 17554 4797 1 9 . 1 1 24 24 VAL CA C 24 65.665 65.665 66.968 -1.302 17554 4798 1 9 . 1 1 24 24 VAL CB C 24 32.009 32.009 31.746 0.263 17554 4799 1 9 . 1 1 24 24 VAL H H 24 7.381 7.381 8.804 -1.423 17554 4800 1 9 . 1 1 25 25 TYR N N 25 120.392 120.392 120.947 -0.555 17554 4801 1 9 . 1 1 25 25 TYR HA H 25 3.860 3.860 4.374 -0.514 17554 4802 1 9 . 1 1 25 25 TYR CA C 25 62.098 62.098 60.591 1.507 17554 4803 1 9 . 1 1 25 25 TYR CB C 25 38.735 38.735 38.768 -0.033 17554 4804 1 9 . 1 1 25 25 TYR H H 25 8.029 8.029 7.763 0.266 17554 4805 1 9 . 1 1 26 26 PHE N N 26 116.460 116.460 119.053 -2.593 17554 4806 1 9 . 1 1 26 26 PHE HA H 26 4.181 4.181 4.041 0.140 17554 4807 1 9 . 1 1 26 26 PHE CA C 26 60.345 60.345 60.616 -0.271 17554 4808 1 9 . 1 1 26 26 PHE CB C 26 37.917 37.917 39.350 -1.433 17554 4809 1 9 . 1 1 26 26 PHE H H 26 9.102 9.102 8.152 0.950 17554 4810 1 9 . 1 1 27 27 THR N N 27 106.212 106.212 111.154 -4.942 17554 4811 1 9 . 1 1 27 27 THR HA H 27 4.477 4.477 3.771 0.706 17554 4812 1 9 . 1 1 27 27 THR CA C 27 61.195 61.195 63.477 -2.282 17554 4813 1 9 . 1 1 27 27 THR CB C 27 69.061 69.061 69.346 -0.285 17554 4814 1 9 . 1 1 27 27 THR H H 27 7.050 7.050 8.204 -1.154 17554 4815 1 9 . 1 1 28 28 GLY N N 28 107.275 107.275 109.424 -2.149 17554 4816 1 9 . 1 1 28 28 GLY CA C 28 46.575 46.575 44.439 2.136 17554 4817 1 9 . 1 1 28 28 GLY H H 28 7.278 7.278 7.321 -0.043 17554 4818 1 9 . 1 1 29 29 ASN N N 29 118.189 118.189 115.590 2.599 17554 4819 1 9 . 1 1 29 29 ASN HA H 29 4.342 4.342 4.314 0.028 17554 4820 1 9 . 1 1 29 29 ASN CA C 29 53.614 53.614 54.304 -0.690 17554 4821 1 9 . 1 1 29 29 ASN CB C 29 37.302 37.302 36.435 0.867 17554 4822 1 9 . 1 1 29 29 ASN H H 29 8.704 8.704 8.782 -0.078 17554 4823 1 9 . 1 1 30 30 MET N N 30 119.241 119.241 117.251 1.990 17554 4824 1 9 . 1 1 30 30 MET HA H 30 4.791 4.791 4.349 0.442 17554 4825 1 9 . 1 1 30 30 MET CA C 30 53.943 53.943 56.865 -2.922 17554 4826 1 9 . 1 1 30 30 MET CB C 30 33.263 33.263 33.830 -0.567 17554 4827 1 9 . 1 1 30 30 MET H H 30 8.921 8.921 7.514 1.407 17554 4828 1 9 . 1 1 31 31 GLY N N 31 109.623 109.623 103.505 6.118 17554 4829 1 9 . 1 1 31 31 GLY CA C 31 44.151 44.151 44.450 -0.299 17554 4830 1 9 . 1 1 31 31 GLY H H 31 8.349 8.349 7.497 0.852 17554 4831 1 9 . 1 1 32 32 ALA N N 32 121.096 121.096 122.053 -0.957 17554 4832 1 9 . 1 1 32 32 ALA HA H 32 3.980 3.980 4.145 -0.165 17554 4833 1 9 . 1 1 32 32 ALA CA C 32 55.192 55.192 54.602 0.590 17554 4834 1 9 . 1 1 32 32 ALA CB C 32 19.058 19.058 19.202 -0.144 17554 4835 1 9 . 1 1 32 32 ALA H H 32 8.899 8.899 8.624 0.275 17554 4836 1 9 . 1 1 33 33 GLU N N 33 119.428 119.428 118.818 0.610 17554 4837 1 9 . 1 1 33 33 GLU HA H 33 4.095 4.095 4.117 -0.022 17554 4838 1 9 . 1 1 33 33 GLU CA C 33 60.864 60.864 59.123 1.741 17554 4839 1 9 . 1 1 33 33 GLU CB C 33 28.661 28.661 28.927 -0.266 17554 4840 1 9 . 1 1 33 33 GLU H H 33 8.705 8.705 8.770 -0.065 17554 4841 1 9 . 1 1 34 34 VAL N N 34 117.216 117.216 119.669 -2.453 17554 4842 1 9 . 1 1 34 34 VAL HA H 34 4.062 4.062 3.841 0.221 17554 4843 1 9 . 1 1 34 34 VAL CA C 34 65.178 65.178 65.877 -0.699 17554 4844 1 9 . 1 1 34 34 VAL CB C 34 31.684 31.684 31.236 0.448 17554 4845 1 9 . 1 1 34 34 VAL H H 34 8.178 8.178 7.918 0.260 17554 4846 1 9 . 1 1 35 35 ALA N N 35 123.635 123.635 122.539 1.096 17554 4847 1 9 . 1 1 35 35 ALA HA H 35 4.289 4.289 4.291 -0.002 17554 4848 1 9 . 1 1 35 35 ALA CA C 35 54.787 54.787 54.914 -0.127 17554 4849 1 9 . 1 1 35 35 ALA CB C 35 19.794 19.794 18.278 1.516 17554 4850 1 9 . 1 1 35 35 ALA H H 35 7.178 7.178 7.971 -0.793 17554 4851 1 9 . 1 1 36 36 PHE N N 36 120.976 120.976 120.293 0.683 17554 4852 1 9 . 1 1 36 36 PHE HA H 36 4.079 4.079 4.119 -0.040 17554 4853 1 9 . 1 1 36 36 PHE CA C 36 61.339 61.339 62.142 -0.802 17554 4854 1 9 . 1 1 36 36 PHE CB C 36 38.952 38.952 39.233 -0.281 17554 4855 1 9 . 1 1 36 36 PHE H H 36 8.832 8.832 8.661 0.171 17554 4856 1 9 . 1 1 37 37 ASN N N 37 114.823 114.823 117.493 -2.670 17554 4857 1 9 . 1 1 37 37 ASN HA H 37 4.318 4.318 4.376 -0.058 17554 4858 1 9 . 1 1 37 37 ASN CA C 37 56.379 56.379 56.691 -0.312 17554 4859 1 9 . 1 1 37 37 ASN CB C 37 38.288 38.288 38.692 -0.404 17554 4860 1 9 . 1 1 37 37 ASN H H 37 7.591 7.591 8.584 -0.993 17554 4861 1 9 . 1 1 38 38 TRP N N 38 119.984 119.984 120.993 -1.009 17554 4862 1 9 . 1 1 38 38 TRP HA H 38 4.191 4.191 4.425 -0.234 17554 4863 1 9 . 1 1 38 38 TRP CA C 38 62.279 62.279 60.821 1.458 17554 4864 1 9 . 1 1 38 38 TRP CB C 38 30.545 30.545 29.677 0.869 17554 4865 1 9 . 1 1 38 38 TRP H H 38 7.630 7.630 7.986 -0.356 17554 4866 1 9 . 1 1 39 39 ILE N N 39 121.183 121.183 119.533 1.650 17554 4867 1 9 . 1 1 39 39 ILE HA H 39 3.647 3.647 3.809 -0.162 17554 4868 1 9 . 1 1 39 39 ILE CA C 39 65.651 65.651 63.630 2.022 17554 4869 1 9 . 1 1 39 39 ILE CB C 39 36.375 36.375 37.815 -1.440 17554 4870 1 9 . 1 1 39 39 ILE H H 39 8.017 8.017 8.162 -0.145 17554 4871 1 9 . 1 1 40 40 ILE N N 40 115.084 115.084 117.292 -2.208 17554 4872 1 9 . 1 1 40 40 ILE HA H 40 3.665 3.665 3.714 -0.049 17554 4873 1 9 . 1 1 40 40 ILE CA C 40 63.224 63.224 64.219 -0.995 17554 4874 1 9 . 1 1 40 40 ILE CB C 40 36.681 36.681 37.164 -0.483 17554 4875 1 9 . 1 1 40 40 ILE H H 40 7.474 7.474 7.536 -0.062 17554 4876 1 9 . 1 1 41 41 VAL N N 41 116.045 116.045 118.083 -2.038 17554 4877 1 9 . 1 1 41 41 VAL HA H 41 3.661 3.661 3.604 0.057 17554 4878 1 9 . 1 1 41 41 VAL CA C 41 64.452 64.452 65.703 -1.251 17554 4879 1 9 . 1 1 41 41 VAL CB C 41 32.156 32.156 31.212 0.944 17554 4880 1 9 . 1 1 41 41 VAL H H 41 7.054 7.054 7.519 -0.465 17554 4881 1 9 . 1 1 42 42 HIS N N 42 115.595 115.595 116.617 -1.022 17554 4882 1 9 . 1 1 42 42 HIS HA H 42 4.098 4.098 4.444 -0.346 17554 4883 1 9 . 1 1 42 42 HIS CA C 42 57.365 57.365 56.823 0.542 17554 4884 1 9 . 1 1 42 42 HIS CB C 42 28.251 28.251 29.137 -0.886 17554 4885 1 9 . 1 1 42 42 HIS H H 42 7.353 7.353 7.991 -0.638 17554 4886 1 9 . 1 1 43 43 MET N N 43 117.495 117.495 118.255 -0.760 17554 4887 1 9 . 1 1 43 43 MET HA H 43 2.064 2.064 4.113 -2.049 17554 4888 1 9 . 1 1 43 43 MET CA C 43 57.980 57.980 57.943 0.037 17554 4889 1 9 . 1 1 43 43 MET CB C 43 32.258 32.258 32.036 0.222 17554 4890 1 9 . 1 1 43 43 MET H H 43 7.373 7.373 7.587 -0.214 17554 4891 1 9 . 1 1 44 44 GLU N N 44 116.844 116.844 116.100 0.744 17554 4892 1 9 . 1 1 44 44 GLU HA H 44 4.346 4.346 4.141 0.205 17554 4893 1 9 . 1 1 44 44 GLU CA C 44 55.838 55.838 55.612 0.226 17554 4894 1 9 . 1 1 44 44 GLU CB C 44 29.351 29.351 29.131 0.220 17554 4895 1 9 . 1 1 44 44 GLU H H 44 8.102 8.102 7.688 0.414 17554 4896 1 9 . 1 1 45 45 GLU N N 45 121.925 121.925 121.701 0.224 17554 4897 1 9 . 1 1 45 45 GLU HA H 45 4.426 4.426 4.437 -0.011 17554 4898 1 9 . 1 1 45 45 GLU CA C 45 55.141 55.141 53.954 1.187 17554 4899 1 9 . 1 1 45 45 GLU CB C 45 28.513 28.513 29.634 -1.121 17554 4900 1 9 . 1 1 45 45 GLU H H 45 7.853 7.853 7.413 0.440 17554 4901 1 9 . 1 1 46 46 PRO HA H 46 4.440 4.440 4.304 0.136 17554 4902 1 9 . 1 1 46 46 PRO CA C 46 65.070 65.070 65.207 -0.137 17554 4903 1 9 . 1 1 46 46 PRO CB C 46 31.850 31.850 32.015 -0.165 17554 4904 1 9 . 1 1 47 47 ASP N N 47 115.051 115.051 116.138 -1.087 17554 4905 1 9 . 1 1 47 47 ASP HA H 47 4.686 4.686 4.703 -0.017 17554 4906 1 9 . 1 1 47 47 ASP CA C 47 52.841 52.841 52.447 0.394 17554 4907 1 9 . 1 1 47 47 ASP CB C 47 39.711 39.711 40.441 -0.730 17554 4908 1 9 . 1 1 47 47 ASP H H 47 8.437 8.437 8.333 0.104 17554 4909 1 9 . 1 1 48 48 PHE N N 48 122.693 122.693 118.112 4.581 17554 4910 1 9 . 1 1 48 48 PHE HA H 48 4.522 4.522 4.295 0.227 17554 4911 1 9 . 1 1 48 48 PHE CA C 48 60.887 60.887 58.695 2.192 17554 4912 1 9 . 1 1 48 48 PHE CB C 48 40.495 40.495 38.764 1.731 17554 4913 1 9 . 1 1 48 48 PHE H H 48 7.695 7.695 7.673 0.022 17554 4914 1 9 . 1 1 49 49 ALA N N 49 117.185 117.185 120.309 -3.124 17554 4915 1 9 . 1 1 49 49 ALA HA H 49 4.099 4.099 4.417 -0.318 17554 4916 1 9 . 1 1 49 49 ALA CA C 49 51.211 51.211 49.954 1.257 17554 4917 1 9 . 1 1 49 49 ALA CB C 49 19.067 19.067 18.699 0.368 17554 4918 1 9 . 1 1 49 49 ALA H H 49 8.643 8.643 6.960 1.683 17554 4919 1 9 . 1 1 50 50 GLU N N 50 119.707 119.707 124.379 -4.672 17554 4920 1 9 . 1 1 50 50 GLU HA H 50 4.412 4.412 4.194 0.217 17554 4921 1 9 . 1 1 50 50 GLU CA C 50 54.755 54.755 54.554 0.201 17554 4922 1 9 . 1 1 50 50 GLU CB C 50 29.274 29.274 29.460 -0.186 17554 4923 1 9 . 1 1 50 50 GLU H H 50 7.412 7.412 8.352 -0.940 17554 4924 1 9 . 1 1 51 51 PRO HA H 51 4.315 4.315 4.383 -0.068 17554 4925 1 9 . 1 1 51 51 PRO CA C 51 62.863 62.863 63.052 -0.189 17554 4926 1 9 . 1 1 51 51 PRO CB C 51 32.408 32.408 30.053 2.355 17554 4927 1 9 . 1 1 52 52 LEU N N 52 123.507 123.507 122.790 0.717 17554 4928 1 9 . 1 1 52 52 LEU HA H 52 4.210 4.210 4.617 -0.407 17554 4929 1 9 . 1 1 52 52 LEU CA C 52 55.217 55.217 54.798 0.419 17554 4930 1 9 . 1 1 52 52 LEU CB C 52 42.918 42.918 43.282 -0.364 17554 4931 1 9 . 1 1 52 52 LEU H H 52 8.475 8.475 8.096 0.379 17554 4932 1 9 . 1 1 53 53 THR N N 53 119.005 119.005 115.054 3.951 17554 4933 1 9 . 1 1 53 53 THR HA H 53 4.292 4.292 4.067 0.225 17554 4934 1 9 . 1 1 53 53 THR CA C 53 61.478 61.478 62.189 -0.711 17554 4935 1 9 . 1 1 53 53 THR CB C 53 69.752 69.752 68.236 1.516 17554 4936 1 9 . 1 1 53 53 THR H H 53 8.371 8.371 8.287 0.084 17554 4937 1 9 . 1 1 54 54 MET N N 54 124.439 124.439 121.937 2.502 17554 4938 1 9 . 1 1 54 54 MET HA H 54 4.651 4.651 4.727 -0.076 17554 4939 1 9 . 1 1 54 54 MET CA C 54 53.235 53.235 54.194 -0.959 17554 4940 1 9 . 1 1 54 54 MET CB C 54 32.605 32.605 33.080 -0.475 17554 4941 1 9 . 1 1 54 54 MET H H 54 8.264 8.264 8.202 0.062 17554 4942 1 9 . 1 1 55 55 PRO HA H 55 4.368 4.368 4.350 0.018 17554 4943 1 9 . 1 1 55 55 PRO CA C 55 63.668 63.668 63.186 0.482 17554 4944 1 9 . 1 1 55 55 PRO CB C 55 32.038 32.038 32.273 -0.235 17554 4945 1 9 . 1 1 56 56 GLY N N 56 109.663 109.663 108.575 1.088 17554 4946 1 9 . 1 1 56 56 GLY CA C 56 45.314 45.314 44.978 0.336 17554 4947 1 9 . 1 1 56 56 GLY H H 56 8.461 8.461 8.048 0.413 17554 4948 1 9 . 1 1 57 57 TYR N N 57 120.317 120.317 121.824 -1.507 17554 4949 1 9 . 1 1 57 57 TYR HA H 57 4.528 4.528 4.279 0.249 17554 4950 1 9 . 1 1 57 57 TYR CA C 57 58.132 58.132 58.371 -0.239 17554 4951 1 9 . 1 1 57 57 TYR CB C 57 38.958 38.958 38.525 0.433 17554 4952 1 9 . 1 1 57 57 TYR H H 57 8.033 8.033 7.578 0.455 17554 4953 1 9 . 1 1 58 58 GLY N N 58 111.694 111.694 114.206 -2.512 17554 4954 1 9 . 1 1 58 58 GLY CA C 58 45.489 45.489 45.398 0.091 17554 4955 1 9 . 1 1 58 58 GLY H H 58 8.423 8.423 7.766 0.657 17554 4956 1 9 . 1 1 59 59 GLY N N 59 108.403 108.403 108.493 -0.090 17554 4957 1 9 . 1 1 59 59 GLY CA C 59 45.210 45.210 44.671 0.539 17554 4958 1 9 . 1 1 59 59 GLY H H 59 7.871 7.871 8.331 -0.460 17554 4959 1 9 . 1 1 60 60 ALA N N 60 123.835 123.835 123.781 0.054 17554 4960 1 9 . 1 1 60 60 ALA HA H 60 4.294 4.294 3.992 0.302 17554 4961 1 9 . 1 1 60 60 ALA CA C 60 52.710 52.710 53.437 -0.727 17554 4962 1 9 . 1 1 60 60 ALA CB C 60 19.353 19.353 18.393 0.960 17554 4963 1 9 . 1 1 60 60 ALA H H 60 8.207 8.207 8.096 0.111 17554 4964 1 9 . 1 1 61 61 ALA N N 61 123.032 123.032 123.626 -0.594 17554 4965 1 9 . 1 1 61 61 ALA HA H 61 4.316 4.316 4.540 -0.224 17554 4966 1 9 . 1 1 61 61 ALA CA C 61 52.751 52.751 51.875 0.876 17554 4967 1 9 . 1 1 61 61 ALA CB C 61 19.096 19.096 20.556 -1.460 17554 4968 1 9 . 1 1 61 61 ALA H H 61 8.331 8.331 7.977 0.354 17554 4969 1 9 . 1 1 62 62 SER N N 62 114.625 114.625 120.544 -5.919 17554 4970 1 9 . 1 1 62 62 SER HA H 62 4.406 4.406 4.467 -0.061 17554 4971 1 9 . 1 1 62 62 SER CA C 62 58.283 58.283 58.603 -0.320 17554 4972 1 9 . 1 1 62 62 SER CB C 62 63.858 63.858 61.879 1.979 17554 4973 1 9 . 1 1 62 62 SER H H 62 8.158 8.158 8.718 -0.560 17554 4974 1 9 . 1 1 63 63 ALA N N 63 125.890 125.890 125.516 0.374 17554 4975 1 9 . 1 1 63 63 ALA HA H 63 4.314 4.314 4.589 -0.275 17554 4976 1 9 . 1 1 63 63 ALA CA C 63 52.926 52.926 51.757 1.169 17554 4977 1 9 . 1 1 63 63 ALA CB C 63 19.216 19.216 19.412 -0.196 17554 4978 1 9 . 1 1 63 63 ALA H H 63 8.294 8.294 7.604 0.690 17554 4979 1 9 . 1 1 64 64 GLY N N 64 107.980 107.980 110.113 -2.133 17554 4980 1 9 . 1 1 64 64 GLY CA C 64 45.324 45.324 45.224 0.100 17554 4981 1 9 . 1 1 64 64 GLY H H 64 8.321 8.321 8.609 -0.288 17554 4982 1 9 . 1 1 65 65 ALA N N 65 123.524 123.524 126.216 -2.692 17554 4983 1 9 . 1 1 65 65 ALA HA H 65 4.330 4.330 4.473 -0.143 17554 4984 1 9 . 1 1 65 65 ALA CA C 65 52.589 52.589 51.671 0.918 17554 4985 1 9 . 1 1 65 65 ALA CB C 65 19.438 19.438 20.694 -1.256 17554 4986 1 9 . 1 1 65 65 ALA H H 65 8.088 8.088 8.218 -0.130 17554 4987 1 9 . 1 1 66 66 SER N N 66 115.072 115.072 117.750 -2.678 17554 4988 1 9 . 1 1 66 66 SER HA H 66 4.442 4.442 4.798 -0.356 17554 4989 1 9 . 1 1 66 66 SER CA C 66 58.334 58.334 57.764 0.570 17554 4990 1 9 . 1 1 66 66 SER CB C 66 63.804 63.804 63.980 -0.175 17554 4991 1 9 . 1 1 66 66 SER H H 66 8.297 8.297 8.430 -0.133 17554 4992 1 9 . 1 1 67 67 VAL N N 67 121.228 121.228 122.319 -1.091 17554 4993 1 9 . 1 1 67 67 VAL HA H 67 4.075 4.075 4.272 -0.197 17554 4994 1 9 . 1 1 67 67 VAL CA C 67 62.417 62.417 62.552 -0.135 17554 4995 1 9 . 1 1 67 67 VAL CB C 67 32.611 32.611 32.108 0.503 17554 4996 1 9 . 1 1 67 67 VAL H H 67 8.007 8.007 8.325 -0.318 17554 4997 1 9 . 1 1 68 68 PHE N N 68 123.068 123.068 120.753 2.315 17554 4998 1 9 . 1 1 68 68 PHE HA H 68 4.618 4.618 4.931 -0.313 17554 4999 1 9 . 1 1 68 68 PHE CA C 68 57.981 57.981 57.359 0.622 17554 5000 1 9 . 1 1 68 68 PHE CB C 68 39.618 39.618 41.080 -1.462 17554 5001 1 9 . 1 1 68 68 PHE H H 68 8.255 8.255 7.800 0.455 17554 5002 1 9 . 1 1 69 69 GLY N N 69 110.709 110.709 112.074 -1.365 17554 5003 1 9 . 1 1 69 69 GLY CA C 69 45.339 45.339 44.972 0.367 17554 5004 1 9 . 1 1 69 69 GLY H H 69 8.234 8.234 7.688 0.546 17554 5005 1 9 . 1 1 70 70 ALA N N 70 123.857 123.857 123.790 0.067 17554 5006 1 9 . 1 1 70 70 ALA HA H 70 4.348 4.348 4.578 -0.230 17554 5007 1 9 . 1 1 70 70 ALA CA C 70 52.626 52.626 51.359 1.267 17554 5008 1 9 . 1 1 70 70 ALA CB C 70 19.386 19.386 19.899 -0.513 17554 5009 1 9 . 1 1 70 70 ALA H H 70 8.140 8.140 7.895 0.245 17554 5010 1 9 . 1 1 71 71 SER N N 71 115.019 115.019 117.516 -2.497 17554 5011 1 9 . 1 1 71 71 SER HA H 71 4.441 4.441 4.336 0.105 17554 5012 1 9 . 1 1 71 71 SER CA C 71 58.592 58.592 57.504 1.088 17554 5013 1 9 . 1 1 71 71 SER CB C 71 63.975 63.975 63.078 0.897 17554 5014 1 9 . 1 1 71 71 SER H H 71 8.379 8.379 8.639 -0.260 17554 5015 1 9 . 1 1 72 72 GLY N N 72 110.640 110.640 111.429 -0.789 17554 5016 1 9 . 1 1 72 72 GLY CA C 72 45.546 45.546 44.878 0.668 17554 5017 1 9 . 1 1 72 72 GLY H H 72 8.395 8.395 7.414 0.981 17554 5018 1 9 . 1 1 73 73 LEU N N 73 121.191 121.191 121.585 -0.394 17554 5019 1 9 . 1 1 73 73 LEU HA H 73 4.319 4.319 3.978 0.341 17554 5020 1 9 . 1 1 73 73 LEU CA C 73 55.292 55.292 55.248 0.044 17554 5021 1 9 . 1 1 73 73 LEU CB C 73 42.355 42.355 39.999 2.356 17554 5022 1 9 . 1 1 73 73 LEU H H 73 8.088 8.088 8.416 -0.328 17554 5023 1 9 . 1 1 74 74 ASP N N 74 120.099 120.099 119.931 0.168 17554 5024 1 9 . 1 1 74 74 ASP HA H 74 4.549 4.549 4.729 -0.180 17554 5025 1 9 . 1 1 74 74 ASP CA C 74 54.451 54.451 54.057 0.394 17554 5026 1 9 . 1 1 74 74 ASP CB C 74 41.071 41.071 42.255 -1.184 17554 5027 1 9 . 1 1 74 74 ASP H H 74 8.312 8.312 8.342 -0.030 17554 5028 1 9 . 1 1 75 75 ASN N N 75 118.544 118.544 121.704 -3.160 17554 5029 1 9 . 1 1 75 75 ASN HA H 75 4.627 4.627 4.714 -0.087 17554 5030 1 9 . 1 1 75 75 ASN CA C 75 53.043 53.043 53.196 -0.153 17554 5031 1 9 . 1 1 75 75 ASN CB C 75 38.723 38.723 38.499 0.224 17554 5032 1 9 . 1 1 75 75 ASN H H 75 8.254 8.254 8.472 -0.218 17554 5033 1 9 . 1 1 76 76 GLN N N 76 121.475 121.475 121.178 0.297 17554 5034 1 9 . 1 1 76 76 GLN HA H 76 4.527 4.527 4.794 -0.267 17554 5035 1 9 . 1 1 76 76 GLN CA C 76 53.613 53.613 53.487 0.126 17554 5036 1 9 . 1 1 76 76 GLN CB C 76 28.697 28.697 30.362 -1.665 17554 5037 1 9 . 1 1 76 76 GLN H H 76 8.228 8.228 8.262 -0.034 17554 5038 1 9 . 1 1 77 77 PRO HA H 77 4.566 4.566 4.488 0.078 17554 5039 1 9 . 1 1 77 77 PRO CA C 77 61.219 61.219 61.977 -0.758 17554 5040 1 9 . 1 1 77 77 PRO CB C 77 31.453 31.453 31.326 0.127 17554 5041 1 9 . 1 1 78 78 PRO HA H 78 4.449 4.449 4.430 0.019 17554 5042 1 9 . 1 1 78 78 PRO CA C 78 62.743 62.743 63.008 -0.265 17554 5043 1 9 . 1 1 78 78 PRO CB C 78 32.168 32.168 32.066 0.103 17554 5044 1 9 . 1 1 79 79 GLU N N 79 127.716 127.716 127.010 0.706 17554 5045 1 9 . 1 1 79 79 GLU HA H 79 3.843 3.843 3.846 -0.003 17554 5046 1 9 . 1 1 79 79 GLU CA C 79 59.074 59.074 59.912 -0.838 17554 5047 1 9 . 1 1 79 79 GLU CB C 79 28.921 28.921 28.870 0.051 17554 5048 1 9 . 1 1 79 79 GLU H H 79 9.073 9.073 8.950 0.123 17554 5049 1 9 . 1 1 80 80 GLU N N 80 117.579 117.579 120.308 -2.729 17554 5050 1 9 . 1 1 80 80 GLU HA H 80 4.120 4.120 4.096 0.024 17554 5051 1 9 . 1 1 80 80 GLU CA C 80 59.468 59.468 59.206 0.262 17554 5052 1 9 . 1 1 80 80 GLU CB C 80 28.680 28.680 29.135 -0.455 17554 5053 1 9 . 1 1 80 80 GLU H H 80 9.604 9.604 8.802 0.802 17554 5054 1 9 . 1 1 81 81 ILE N N 81 117.488 117.488 119.635 -2.147 17554 5055 1 9 . 1 1 81 81 ILE HA H 81 4.068 4.068 3.880 0.188 17554 5056 1 9 . 1 1 81 81 ILE CA C 81 63.261 63.261 64.276 -1.015 17554 5057 1 9 . 1 1 81 81 ILE CB C 81 37.248 37.248 38.400 -1.152 17554 5058 1 9 . 1 1 81 81 ILE H H 81 7.172 7.172 7.551 -0.379 17554 5059 1 9 . 1 1 82 82 VAL N N 82 121.739 121.739 118.721 3.018 17554 5060 1 9 . 1 1 82 82 VAL HA H 82 3.143 3.143 3.652 -0.509 17554 5061 1 9 . 1 1 82 82 VAL CA C 82 67.507 67.507 66.609 0.898 17554 5062 1 9 . 1 1 82 82 VAL CB C 82 31.816 31.816 31.264 0.552 17554 5063 1 9 . 1 1 82 82 VAL H H 82 7.591 7.591 8.641 -1.050 17554 5064 1 9 . 1 1 83 83 ALA N N 83 118.311 118.311 123.116 -4.805 17554 5065 1 9 . 1 1 83 83 ALA HA H 83 4.341 4.341 4.011 0.330 17554 5066 1 9 . 1 1 83 83 ALA CA C 83 54.186 54.186 55.181 -0.995 17554 5067 1 9 . 1 1 83 83 ALA CB C 83 18.026 18.026 18.174 -0.148 17554 5068 1 9 . 1 1 83 83 ALA H H 83 8.260 8.260 7.905 0.355 17554 5069 1 9 . 1 1 84 84 ILE N N 84 119.780 119.780 119.688 0.092 17554 5070 1 9 . 1 1 84 84 ILE HA H 84 3.737 3.737 3.597 0.140 17554 5071 1 9 . 1 1 84 84 ILE CA C 84 65.095 65.095 65.538 -0.443 17554 5072 1 9 . 1 1 84 84 ILE CB C 84 38.070 38.070 38.002 0.068 17554 5073 1 9 . 1 1 84 84 ILE H H 84 7.298 7.298 7.709 -0.411 17554 5074 1 9 . 1 1 85 85 ILE N N 85 119.424 119.424 119.171 0.253 17554 5075 1 9 . 1 1 85 85 ILE HA H 85 3.884 3.884 3.765 0.119 17554 5076 1 9 . 1 1 85 85 ILE CA C 85 66.207 66.207 65.924 0.283 17554 5077 1 9 . 1 1 85 85 ILE CB C 85 38.043 38.043 37.960 0.083 17554 5078 1 9 . 1 1 85 85 ILE H H 85 7.426 7.426 8.619 -1.193 17554 5079 1 9 . 1 1 86 86 THR N N 86 112.538 112.538 114.287 -1.749 17554 5080 1 9 . 1 1 86 86 THR HA H 86 4.669 4.669 4.306 0.363 17554 5081 1 9 . 1 1 86 86 THR CA C 86 64.995 64.995 65.338 -0.343 17554 5082 1 9 . 1 1 86 86 THR CB C 86 68.293 68.293 68.522 -0.229 17554 5083 1 9 . 1 1 86 86 THR H H 86 9.097 9.097 8.330 0.767 17554 5084 1 9 . 1 1 87 87 SER N N 87 120.681 120.681 116.805 3.876 17554 5085 1 9 . 1 1 87 87 SER HA H 87 4.397 4.397 4.352 0.045 17554 5086 1 9 . 1 1 87 87 SER CA C 87 61.715 61.715 60.490 1.225 17554 5087 1 9 . 1 1 87 87 SER CB C 87 62.804 62.804 63.042 -0.238 17554 5088 1 9 . 1 1 87 87 SER H H 87 8.250 8.250 8.183 0.067 17554 5089 1 9 . 1 1 88 88 MET N N 88 119.753 119.753 118.528 1.225 17554 5090 1 9 . 1 1 88 88 MET HA H 88 4.399 4.399 4.338 0.061 17554 5091 1 9 . 1 1 88 88 MET CA C 88 56.596 56.596 55.552 1.044 17554 5092 1 9 . 1 1 88 88 MET CB C 88 33.330 33.330 32.720 0.610 17554 5093 1 9 . 1 1 88 88 MET H H 88 7.550 7.550 7.706 -0.156 17554 5094 1 9 . 1 1 89 89 GLY N N 89 105.282 105.282 103.695 1.587 17554 5095 1 9 . 1 1 89 89 GLY CA C 89 44.767 44.767 44.616 0.151 17554 5096 1 9 . 1 1 89 89 GLY H H 89 7.866 7.866 7.488 0.378 17554 5097 1 9 . 1 1 90 90 PHE N N 90 118.182 118.182 119.466 -1.284 17554 5098 1 9 . 1 1 90 90 PHE HA H 90 4.721 4.721 4.911 -0.190 17554 5099 1 9 . 1 1 90 90 PHE CA C 90 57.670 57.670 56.819 0.851 17554 5100 1 9 . 1 1 90 90 PHE CB C 90 39.706 39.706 41.051 -1.345 17554 5101 1 9 . 1 1 90 90 PHE H H 90 6.675 6.675 7.570 -0.895 17554 5102 1 9 . 1 1 91 91 GLN N N 91 118.581 118.581 118.103 0.478 17554 5103 1 9 . 1 1 91 91 GLN HA H 91 4.356 4.356 4.644 -0.288 17554 5104 1 9 . 1 1 91 91 GLN CA C 91 55.485 55.485 54.409 1.076 17554 5105 1 9 . 1 1 91 91 GLN CB C 91 29.969 29.969 31.808 -1.839 17554 5106 1 9 . 1 1 91 91 GLN H H 91 8.854 8.854 8.459 0.395 17554 5107 1 9 . 1 1 92 92 ARG N N 92 124.037 124.037 127.824 -3.787 17554 5108 1 9 . 1 1 92 92 ARG HA H 92 3.624 3.624 4.108 -0.484 17554 5109 1 9 . 1 1 92 92 ARG CA C 92 60.847 60.847 60.570 0.277 17554 5110 1 9 . 1 1 92 92 ARG CB C 92 29.579 29.579 29.938 -0.359 17554 5111 1 9 . 1 1 92 92 ARG H H 92 9.124 9.124 8.938 0.186 17554 5112 1 9 . 1 1 93 93 ASN N N 93 115.060 115.060 117.499 -2.439 17554 5113 1 9 . 1 1 93 93 ASN HA H 93 4.395 4.395 4.477 -0.082 17554 5114 1 9 . 1 1 93 93 ASN CA C 93 56.562 56.562 56.265 0.297 17554 5115 1 9 . 1 1 93 93 ASN CB C 93 37.059 37.059 37.742 -0.683 17554 5116 1 9 . 1 1 93 93 ASN H H 93 9.117 9.117 8.540 0.577 17554 5117 1 9 . 1 1 94 94 GLN N N 94 119.980 119.980 118.935 1.045 17554 5118 1 9 . 1 1 94 94 GLN HA H 94 3.933 3.933 4.051 -0.118 17554 5119 1 9 . 1 1 94 94 GLN CA C 94 58.775 58.775 59.108 -0.333 17554 5120 1 9 . 1 1 94 94 GLN CB C 94 29.075 29.075 28.466 0.609 17554 5121 1 9 . 1 1 94 94 GLN H H 94 7.033 7.033 8.531 -1.498 17554 5122 1 9 . 1 1 95 95 ALA N N 95 120.823 120.823 122.840 -2.017 17554 5123 1 9 . 1 1 95 95 ALA HA H 95 3.761 3.761 4.019 -0.258 17554 5124 1 9 . 1 1 95 95 ALA CA C 95 55.680 55.680 55.176 0.504 17554 5125 1 9 . 1 1 95 95 ALA CB C 95 19.601 19.601 18.500 1.101 17554 5126 1 9 . 1 1 95 95 ALA H H 95 7.996 7.996 8.433 -0.437 17554 5127 1 9 . 1 1 96 96 ILE N N 96 116.250 116.250 120.203 -3.953 17554 5128 1 9 . 1 1 96 96 ILE HA H 96 3.420 3.420 3.531 -0.111 17554 5129 1 9 . 1 1 96 96 ILE CA C 96 65.611 65.611 66.070 -0.459 17554 5130 1 9 . 1 1 96 96 ILE CB C 96 37.869 37.869 37.918 -0.049 17554 5131 1 9 . 1 1 96 96 ILE H H 96 8.408 8.408 8.292 0.116 17554 5132 1 9 . 1 1 97 97 GLN N N 97 118.601 118.601 119.328 -0.727 17554 5133 1 9 . 1 1 97 97 GLN HA H 97 3.734 3.734 3.816 -0.082 17554 5134 1 9 . 1 1 97 97 GLN CA C 97 59.011 59.011 59.442 -0.431 17554 5135 1 9 . 1 1 97 97 GLN CB C 97 28.425 28.425 28.692 -0.267 17554 5136 1 9 . 1 1 97 97 GLN H H 97 7.767 7.767 8.214 -0.447 17554 5137 1 9 . 1 1 98 98 ALA N N 98 121.375 121.375 122.768 -1.393 17554 5138 1 9 . 1 1 98 98 ALA HA H 98 2.748 2.748 3.634 -0.886 17554 5139 1 9 . 1 1 98 98 ALA CA C 98 54.408 54.408 55.091 -0.683 17554 5140 1 9 . 1 1 98 98 ALA CB C 98 20.084 20.084 18.452 1.632 17554 5141 1 9 . 1 1 98 98 ALA H H 98 7.905 7.905 7.942 -0.037 17554 5142 1 9 . 1 1 99 99 LEU N N 99 118.409 118.409 118.808 -0.399 17554 5143 1 9 . 1 1 99 99 LEU HA H 99 3.717 3.717 4.042 -0.325 17554 5144 1 9 . 1 1 99 99 LEU CA C 99 57.529 57.529 57.164 0.365 17554 5145 1 9 . 1 1 99 99 LEU CB C 99 40.714 40.714 41.360 -0.646 17554 5146 1 9 . 1 1 99 99 LEU H H 99 7.938 7.938 8.287 -0.349 17554 5147 1 9 . 1 1 100 100 ARG N N 100 119.771 119.771 119.477 0.294 17554 5148 1 9 . 1 1 100 100 ARG HA H 100 4.107 4.107 3.793 0.314 17554 5149 1 9 . 1 1 100 100 ARG CA C 100 59.182 59.182 59.453 -0.271 17554 5150 1 9 . 1 1 100 100 ARG CB C 100 30.021 30.021 29.841 0.180 17554 5151 1 9 . 1 1 100 100 ARG H H 100 8.248 8.248 8.315 -0.067 17554 5152 1 9 . 1 1 101 101 ALA N N 101 119.288 119.288 119.309 -0.021 17554 5153 1 9 . 1 1 101 101 ALA HA H 101 3.983 3.983 3.923 0.060 17554 5154 1 9 . 1 1 101 101 ALA CA C 101 53.663 53.663 54.118 -0.455 17554 5155 1 9 . 1 1 101 101 ALA CB C 101 17.946 17.946 17.606 0.340 17554 5156 1 9 . 1 1 101 101 ALA H H 101 7.324 7.324 7.284 0.040 17554 5157 1 9 . 1 1 102 102 THR N N 102 105.233 105.233 109.282 -4.049 17554 5158 1 9 . 1 1 102 102 THR HA H 102 4.429 4.429 4.110 0.319 17554 5159 1 9 . 1 1 102 102 THR CA C 102 60.535 60.535 62.557 -2.022 17554 5160 1 9 . 1 1 102 102 THR CB C 102 71.036 71.036 69.565 1.471 17554 5161 1 9 . 1 1 102 102 THR H H 102 7.113 7.113 7.850 -0.737 17554 5162 1 9 . 1 1 103 103 ASN N N 103 119.293 119.293 120.382 -1.089 17554 5163 1 9 . 1 1 103 103 ASN HA H 103 4.343 4.343 4.309 0.034 17554 5164 1 9 . 1 1 103 103 ASN CA C 103 54.462 54.462 54.135 0.327 17554 5165 1 9 . 1 1 103 103 ASN CB C 103 36.960 36.960 37.235 -0.275 17554 5166 1 9 . 1 1 103 103 ASN H H 103 7.701 7.701 7.723 -0.022 17554 5167 1 9 . 1 1 104 104 ASN N N 104 108.274 108.274 111.376 -3.102 17554 5168 1 9 . 1 1 104 104 ASN HA H 104 3.956 3.956 4.215 -0.259 17554 5169 1 9 . 1 1 104 104 ASN CA C 104 54.757 54.757 54.866 -0.109 17554 5170 1 9 . 1 1 104 104 ASN CB C 104 36.151 36.151 37.250 -1.099 17554 5171 1 9 . 1 1 104 104 ASN H H 104 9.048 9.048 8.760 0.288 17554 5172 1 9 . 1 1 105 105 ASN N N 105 118.458 118.458 118.385 0.073 17554 5173 1 9 . 1 1 105 105 ASN HA H 105 4.728 4.728 4.767 -0.039 17554 5174 1 9 . 1 1 105 105 ASN CA C 105 53.081 53.081 53.264 -0.183 17554 5175 1 9 . 1 1 105 105 ASN CB C 105 40.405 40.405 38.883 1.522 17554 5176 1 9 . 1 1 105 105 ASN H H 105 7.061 7.061 7.576 -0.515 17554 5177 1 9 . 1 1 106 106 LEU N N 106 128.727 128.727 127.596 1.131 17554 5178 1 9 . 1 1 106 106 LEU HA H 106 3.732 3.732 3.967 -0.235 17554 5179 1 9 . 1 1 106 106 LEU CA C 106 59.307 59.307 59.510 -0.203 17554 5180 1 9 . 1 1 106 106 LEU CB C 106 42.071 42.071 42.215 -0.144 17554 5181 1 9 . 1 1 106 106 LEU H H 106 8.718 8.718 8.335 0.383 17554 5182 1 9 . 1 1 107 107 GLU N N 107 117.325 117.325 118.300 -0.975 17554 5183 1 9 . 1 1 107 107 GLU HA H 107 3.890 3.890 3.984 -0.094 17554 5184 1 9 . 1 1 107 107 GLU CA C 107 60.871 60.871 59.736 1.135 17554 5185 1 9 . 1 1 107 107 GLU CB C 107 28.881 28.881 28.439 0.442 17554 5186 1 9 . 1 1 107 107 GLU H H 107 8.390 8.390 8.700 -0.310 17554 5187 1 9 . 1 1 108 108 ARG N N 108 117.912 117.912 120.466 -2.554 17554 5188 1 9 . 1 1 108 108 ARG HA H 108 4.265 4.265 4.233 0.032 17554 5189 1 9 . 1 1 108 108 ARG CA C 108 58.748 58.748 58.625 0.123 17554 5190 1 9 . 1 1 108 108 ARG CB C 108 30.650 30.650 29.843 0.807 17554 5191 1 9 . 1 1 108 108 ARG H H 108 8.410 8.410 8.197 0.213 17554 5192 1 9 . 1 1 109 109 ALA N N 109 127.124 127.124 123.393 3.731 17554 5193 1 9 . 1 1 109 109 ALA HA H 109 3.900 3.900 4.107 -0.207 17554 5194 1 9 . 1 1 109 109 ALA CA C 109 55.518 55.518 55.258 0.260 17554 5195 1 9 . 1 1 109 109 ALA CB C 109 17.772 17.772 18.361 -0.589 17554 5196 1 9 . 1 1 109 109 ALA H H 109 9.083 9.083 8.160 0.923 17554 5197 1 9 . 1 1 110 110 LEU N N 110 118.715 118.715 118.928 -0.213 17554 5198 1 9 . 1 1 110 110 LEU HA H 110 3.777 3.777 3.756 0.021 17554 5199 1 9 . 1 1 110 110 LEU CA C 110 57.997 57.997 58.066 -0.069 17554 5200 1 9 . 1 1 110 110 LEU CB C 110 40.963 40.963 41.291 -0.328 17554 5201 1 9 . 1 1 110 110 LEU H H 110 8.215 8.215 8.157 0.058 17554 5202 1 9 . 1 1 111 111 ASP N N 111 118.516 118.516 119.980 -1.464 17554 5203 1 9 . 1 1 111 111 ASP HA H 111 4.484 4.484 4.343 0.141 17554 5204 1 9 . 1 1 111 111 ASP CA C 111 57.634 57.634 57.951 -0.317 17554 5205 1 9 . 1 1 111 111 ASP CB C 111 41.026 41.026 41.090 -0.064 17554 5206 1 9 . 1 1 111 111 ASP H H 111 7.400 7.400 8.339 -0.939 17554 5207 1 9 . 1 1 112 112 TRP N N 112 122.780 122.780 121.350 1.430 17554 5208 1 9 . 1 1 112 112 TRP HA H 112 4.097 4.097 4.297 -0.200 17554 5209 1 9 . 1 1 112 112 TRP CA C 112 62.365 62.365 60.693 1.672 17554 5210 1 9 . 1 1 112 112 TRP CB C 112 29.490 29.490 29.723 -0.233 17554 5211 1 9 . 1 1 112 112 TRP H H 112 8.525 8.525 8.199 0.326 17554 5212 1 9 . 1 1 113 113 ILE N N 113 122.469 122.469 117.806 4.663 17554 5213 1 9 . 1 1 113 113 ILE HA H 113 3.575 3.575 3.614 -0.039 17554 5214 1 9 . 1 1 113 113 ILE CA C 113 66.239 66.239 64.757 1.482 17554 5215 1 9 . 1 1 113 113 ILE CB C 113 37.688 37.688 37.475 0.213 17554 5216 1 9 . 1 1 113 113 ILE H H 113 8.618 8.618 8.495 0.123 17554 5217 1 9 . 1 1 114 114 PHE N N 114 118.665 118.665 119.849 -1.184 17554 5218 1 9 . 1 1 114 114 PHE HA H 114 4.386 4.386 4.243 0.143 17554 5219 1 9 . 1 1 114 114 PHE CA C 114 60.111 60.111 60.116 -0.005 17554 5220 1 9 . 1 1 114 114 PHE CB C 114 38.344 38.344 39.083 -0.739 17554 5221 1 9 . 1 1 114 114 PHE H H 114 8.109 8.109 8.662 -0.553 17554 5222 1 9 . 1 1 115 115 SER N N 115 111.172 111.172 112.181 -1.009 17554 5223 1 9 . 1 1 115 115 SER HA H 115 4.333 4.333 4.095 0.238 17554 5224 1 9 . 1 1 115 115 SER CA C 115 58.593 58.593 59.396 -0.803 17554 5225 1 9 . 1 1 115 115 SER CB C 115 64.067 64.067 62.989 1.078 17554 5226 1 9 . 1 1 115 115 SER H H 115 7.723 7.723 7.505 0.218 17554 5227 1 9 . 1 1 116 116 HIS N N 116 119.686 119.686 120.234 -0.548 17554 5228 1 9 . 1 1 116 116 HIS HA H 116 4.749 4.749 5.191 -0.442 17554 5229 1 9 . 1 1 116 116 HIS CA C 116 54.476 54.476 52.965 1.511 17554 5230 1 9 . 1 1 116 116 HIS CB C 116 27.310 27.310 29.006 -1.696 17554 5231 1 9 . 1 1 116 116 HIS H H 116 7.407 7.407 7.669 -0.262 17554 5232 1 9 . 1 1 117 117 PRO HA H 117 4.465 4.465 3.935 0.530 17554 5233 1 9 . 1 1 117 117 PRO CA C 117 64.170 64.170 65.090 -0.920 17554 5234 1 9 . 1 1 117 117 PRO CB C 117 31.939 31.939 31.988 -0.049 17554 5235 1 9 . 1 1 118 118 GLU N N 118 119.986 119.986 113.564 6.422 17554 5236 1 9 . 1 1 118 118 GLU HA H 118 4.338 4.338 4.373 -0.035 17554 5237 1 9 . 1 1 118 118 GLU CA C 118 56.440 56.440 56.918 -0.478 17554 5238 1 9 . 1 1 118 118 GLU CB C 118 29.469 29.469 29.993 -0.524 17554 5239 1 9 . 1 1 118 118 GLU H H 118 8.667 8.667 8.189 0.478 17554 5240 1 9 . 1 1 119 119 PHE N N 119 121.581 121.581 121.578 0.003 17554 5241 1 9 . 1 1 119 119 PHE HA H 119 4.632 4.632 4.717 -0.085 17554 5242 1 9 . 1 1 119 119 PHE CA C 119 57.981 57.981 58.037 -0.056 17554 5243 1 9 . 1 1 119 119 PHE CB C 119 39.805 39.805 39.455 0.350 17554 5244 1 9 . 1 1 119 119 PHE H H 119 8.054 8.054 7.924 0.130 17554 5245 1 9 . 1 1 120 120 GLU N N 120 123.882 123.882 117.611 6.271 17554 5246 1 9 . 1 1 120 120 GLU HA H 120 4.273 4.273 3.896 0.377 17554 5247 1 9 . 1 1 120 120 GLU CA C 120 56.127 56.127 57.455 -1.328 17554 5248 1 9 . 1 1 120 120 GLU CB C 120 30.789 30.789 28.659 2.130 17554 5249 1 9 . 1 1 120 120 GLU H H 120 8.264 8.264 8.324 -0.060 17554 5250 1 9 . 1 1 121 121 GLU N N 121 122.504 122.504 120.952 1.552 17554 5251 1 9 . 1 1 121 121 GLU HA H 121 4.213 4.213 4.400 -0.187 17554 5252 1 9 . 1 1 121 121 GLU CA C 121 56.634 56.634 55.930 0.704 17554 5253 1 9 . 1 1 121 121 GLU CB C 121 30.580 30.580 29.533 1.047 17554 5254 1 9 . 1 1 121 121 GLU H H 121 8.398 8.398 8.446 -0.048 17554 5255 1 9 . 1 1 122 122 ASP N N 122 121.820 121.820 123.283 -1.463 17554 5256 1 9 . 1 1 122 122 ASP HA H 122 4.627 4.627 4.724 -0.097 17554 5257 1 9 . 1 1 122 122 ASP CA C 122 54.443 54.443 53.955 0.488 17554 5258 1 9 . 1 1 122 122 ASP CB C 122 41.237 41.237 42.493 -1.256 17554 5259 1 9 . 1 1 122 122 ASP H H 122 8.478 8.478 8.468 0.010 17554 5260 1 9 . 1 1 123 123 SER N N 123 116.397 116.397 119.045 -2.648 17554 5261 1 9 . 1 1 123 123 SER HA H 123 4.392 4.392 4.051 0.341 17554 5262 1 9 . 1 1 123 123 SER CA C 123 58.605 58.605 58.467 0.138 17554 5263 1 9 . 1 1 123 123 SER CB C 123 64.064 64.064 63.345 0.719 17554 5264 1 9 . 1 1 123 123 SER H H 123 8.236 8.236 8.426 -0.190 17554 5265 1 9 . 1 1 124 124 ASP N N 124 122.070 122.070 128.007 -5.937 17554 5266 1 9 . 1 1 124 124 ASP HA H 124 4.599 4.599 4.617 -0.018 17554 5267 1 9 . 1 1 124 124 ASP CA C 124 54.501 54.501 53.442 1.059 17554 5268 1 9 . 1 1 124 124 ASP CB C 124 41.106 41.106 41.062 0.044 17554 5269 1 9 . 1 1 124 124 ASP H H 124 8.378 8.378 8.342 0.036 17554 5270 1 9 . 1 1 125 125 PHE N N 125 120.274 120.274 125.099 -4.825 17554 5271 1 9 . 1 1 125 125 PHE HA H 125 4.623 4.623 4.538 0.085 17554 5272 1 9 . 1 1 125 125 PHE CA C 125 57.913 57.913 57.884 0.029 17554 5273 1 9 . 1 1 125 125 PHE CB C 125 39.601 39.601 38.086 1.515 17554 5274 1 9 . 1 1 125 125 PHE H H 125 8.049 8.049 8.333 -0.284 17554 5275 1 10 . 1 1 2 2 ILE N N 2 117.266 117.266 121.502 -4.236 17554 5276 1 10 . 1 1 2 2 ILE HA H 2 3.919 3.919 4.230 -0.311 17554 5277 1 10 . 1 1 2 2 ILE CA C 2 60.653 60.653 60.608 0.045 17554 5278 1 10 . 1 1 2 2 ILE CB C 2 41.029 41.029 40.286 0.743 17554 5279 1 10 . 1 1 2 2 ILE H H 2 7.746 7.746 7.772 -0.026 17554 5280 1 10 . 1 1 3 3 ASP N N 3 125.895 125.895 129.172 -3.277 17554 5281 1 10 . 1 1 3 3 ASP HA H 3 4.606 4.606 4.572 0.034 17554 5282 1 10 . 1 1 3 3 ASP CA C 3 54.349 54.349 55.230 -0.881 17554 5283 1 10 . 1 1 3 3 ASP CB C 3 41.214 41.214 40.048 1.166 17554 5284 1 10 . 1 1 3 3 ASP H H 3 8.328 8.328 8.916 -0.588 17554 5285 1 10 . 1 1 4 4 GLU N N 4 128.620 128.620 123.614 5.006 17554 5286 1 10 . 1 1 4 4 GLU HA H 4 3.948 3.948 4.105 -0.157 17554 5287 1 10 . 1 1 4 4 GLU CA C 4 58.981 58.981 58.783 0.198 17554 5288 1 10 . 1 1 4 4 GLU CB C 4 29.631 29.631 29.464 0.167 17554 5289 1 10 . 1 1 4 4 GLU H H 4 8.991 8.991 8.156 0.835 17554 5290 1 10 . 1 1 5 5 SER N N 5 115.342 115.342 115.856 -0.514 17554 5291 1 10 . 1 1 5 5 SER HA H 5 4.254 4.254 4.033 0.221 17554 5292 1 10 . 1 1 5 5 SER CA C 5 61.961 61.961 61.638 0.323 17554 5293 1 10 . 1 1 5 5 SER CB C 5 62.222 62.222 62.824 -0.602 17554 5294 1 10 . 1 1 5 5 SER H H 5 8.634 8.634 8.621 0.013 17554 5295 1 10 . 1 1 6 6 SER N N 6 119.418 119.418 118.040 1.378 17554 5296 1 10 . 1 1 6 6 SER HA H 6 4.354 4.354 4.204 0.150 17554 5297 1 10 . 1 1 6 6 SER CA C 6 61.729 61.729 61.852 -0.124 17554 5298 1 10 . 1 1 6 6 SER CB C 6 63.366 63.366 63.149 0.217 17554 5299 1 10 . 1 1 6 6 SER H H 6 7.670 7.670 7.840 -0.170 17554 5300 1 10 . 1 1 7 7 VAL N N 7 120.774 120.774 122.856 -2.082 17554 5301 1 10 . 1 1 7 7 VAL HA H 7 3.234 3.234 3.874 -0.640 17554 5302 1 10 . 1 1 7 7 VAL CA C 7 67.151 67.151 65.105 2.046 17554 5303 1 10 . 1 1 7 7 VAL CB C 7 31.792 31.792 31.885 -0.093 17554 5304 1 10 . 1 1 7 7 VAL H H 7 7.286 7.286 7.541 -0.255 17554 5305 1 10 . 1 1 8 8 MET N N 8 116.159 116.159 118.254 -2.095 17554 5306 1 10 . 1 1 8 8 MET HA H 8 4.356 4.356 4.087 0.269 17554 5307 1 10 . 1 1 8 8 MET CA C 8 57.482 57.482 57.663 -0.181 17554 5308 1 10 . 1 1 8 8 MET CB C 8 31.341 31.341 31.093 0.248 17554 5309 1 10 . 1 1 8 8 MET H H 8 8.244 8.244 8.456 -0.212 17554 5310 1 10 . 1 1 9 9 GLN N N 9 119.708 119.708 118.943 0.765 17554 5311 1 10 . 1 1 9 9 GLN HA H 9 4.101 4.101 4.064 0.037 17554 5312 1 10 . 1 1 9 9 GLN CA C 9 59.331 59.331 58.599 0.732 17554 5313 1 10 . 1 1 9 9 GLN CB C 9 28.880 28.880 28.412 0.468 17554 5314 1 10 . 1 1 9 9 GLN H H 9 7.855 7.855 7.803 0.052 17554 5315 1 10 . 1 1 10 10 LEU N N 10 118.986 118.986 117.866 1.120 17554 5316 1 10 . 1 1 10 10 LEU HA H 10 4.463 4.463 4.290 0.173 17554 5317 1 10 . 1 1 10 10 LEU CA C 10 57.438 57.438 57.233 0.206 17554 5318 1 10 . 1 1 10 10 LEU CB C 10 42.943 42.943 41.858 1.085 17554 5319 1 10 . 1 1 10 10 LEU H H 10 7.432 7.432 7.661 -0.229 17554 5320 1 10 . 1 1 11 11 ALA N N 11 125.146 125.146 123.470 1.676 17554 5321 1 10 . 1 1 11 11 ALA HA H 11 4.411 4.411 4.638 -0.227 17554 5322 1 10 . 1 1 11 11 ALA CA C 11 55.259 55.259 54.617 0.642 17554 5323 1 10 . 1 1 11 11 ALA CB C 11 17.734 17.734 18.557 -0.823 17554 5324 1 10 . 1 1 11 11 ALA H H 11 8.797 8.797 8.571 0.226 17554 5325 1 10 . 1 1 12 12 GLU N N 12 119.871 119.871 116.384 3.487 17554 5326 1 10 . 1 1 12 12 GLU HA H 12 4.117 4.117 4.131 -0.014 17554 5327 1 10 . 1 1 12 12 GLU CA C 12 58.473 58.473 57.656 0.817 17554 5328 1 10 . 1 1 12 12 GLU CB C 12 29.531 29.531 29.431 0.100 17554 5329 1 10 . 1 1 12 12 GLU H H 12 8.178 8.178 8.218 -0.040 17554 5330 1 10 . 1 1 13 13 MET N N 13 116.292 116.292 115.999 0.293 17554 5331 1 10 . 1 1 13 13 MET HA H 13 4.296 4.296 4.325 -0.029 17554 5332 1 10 . 1 1 13 13 MET CA C 13 56.797 56.797 57.004 -0.207 17554 5333 1 10 . 1 1 13 13 MET CB C 13 33.221 33.221 33.775 -0.554 17554 5334 1 10 . 1 1 13 13 MET H H 13 7.619 7.619 7.506 0.113 17554 5335 1 10 . 1 1 14 14 GLY N N 14 104.580 104.580 106.379 -1.799 17554 5336 1 10 . 1 1 14 14 GLY CA C 14 44.860 44.860 44.696 0.164 17554 5337 1 10 . 1 1 14 14 GLY H H 14 7.873 7.873 7.800 0.073 17554 5338 1 10 . 1 1 15 15 PHE N N 15 118.802 118.802 119.610 -0.808 17554 5339 1 10 . 1 1 15 15 PHE HA H 15 5.017 5.017 4.821 0.196 17554 5340 1 10 . 1 1 15 15 PHE CA C 15 56.352 56.352 57.383 -1.030 17554 5341 1 10 . 1 1 15 15 PHE CB C 15 39.395 39.395 42.382 -2.986 17554 5342 1 10 . 1 1 15 15 PHE H H 15 6.623 6.623 8.007 -1.384 17554 5343 1 10 . 1 1 16 16 PRO HA H 16 4.530 4.530 4.422 0.108 17554 5344 1 10 . 1 1 16 16 PRO CA C 16 63.064 63.064 62.693 0.371 17554 5345 1 10 . 1 1 16 16 PRO CB C 16 32.293 32.293 30.475 1.818 17554 5346 1 10 . 1 1 17 17 LEU N N 17 128.389 128.389 127.337 1.052 17554 5347 1 10 . 1 1 17 17 LEU HA H 17 3.945 3.945 4.390 -0.445 17554 5348 1 10 . 1 1 17 17 LEU CA C 17 59.601 59.601 53.646 5.955 17554 5349 1 10 . 1 1 17 17 LEU CB C 17 42.248 42.248 39.077 3.171 17554 5350 1 10 . 1 1 17 17 LEU H H 17 9.041 9.041 8.086 0.955 17554 5351 1 10 . 1 1 18 18 GLU N N 18 114.837 114.837 123.405 -8.568 17554 5352 1 10 . 1 1 18 18 GLU HA H 18 4.067 4.067 3.941 0.126 17554 5353 1 10 . 1 1 18 18 GLU CA C 18 59.139 59.139 59.516 -0.376 17554 5354 1 10 . 1 1 18 18 GLU CB C 18 28.874 28.874 28.985 -0.111 17554 5355 1 10 . 1 1 18 18 GLU H H 18 9.267 9.267 8.209 1.058 17554 5356 1 10 . 1 1 19 19 ALA N N 19 119.137 119.137 121.796 -2.659 17554 5357 1 10 . 1 1 19 19 ALA HA H 19 3.918 3.918 4.120 -0.202 17554 5358 1 10 . 1 1 19 19 ALA CA C 19 54.872 54.872 55.037 -0.165 17554 5359 1 10 . 1 1 19 19 ALA CB C 19 17.972 17.972 18.219 -0.247 17554 5360 1 10 . 1 1 19 19 ALA H H 19 6.838 6.838 8.337 -1.499 17554 5361 1 10 . 1 1 20 20 CYS N N 20 116.877 116.877 117.425 -0.548 17554 5362 1 10 . 1 1 20 20 CYS HA H 20 3.891 3.891 4.245 -0.354 17554 5363 1 10 . 1 1 20 20 CYS CA C 20 63.356 63.356 62.313 1.043 17554 5364 1 10 . 1 1 20 20 CYS CB C 20 28.018 28.018 27.745 0.273 17554 5365 1 10 . 1 1 20 20 CYS H H 20 7.610 7.610 8.320 -0.710 17554 5366 1 10 . 1 1 21 21 ARG N N 21 117.434 117.434 120.599 -3.165 17554 5367 1 10 . 1 1 21 21 ARG HA H 21 3.696 3.696 3.888 -0.192 17554 5368 1 10 . 1 1 21 21 ARG CA C 21 60.192 60.192 59.347 0.845 17554 5369 1 10 . 1 1 21 21 ARG CB C 21 30.175 30.175 29.819 0.356 17554 5370 1 10 . 1 1 21 21 ARG H H 21 7.965 7.965 7.657 0.308 17554 5371 1 10 . 1 1 22 22 LYS N N 22 117.667 117.667 118.675 -1.008 17554 5372 1 10 . 1 1 22 22 LYS HA H 22 3.412 3.412 3.743 -0.331 17554 5373 1 10 . 1 1 22 22 LYS CA C 22 60.181 60.181 59.022 1.159 17554 5374 1 10 . 1 1 22 22 LYS CB C 22 32.085 32.085 32.104 -0.019 17554 5375 1 10 . 1 1 22 22 LYS H H 22 7.392 7.392 7.990 -0.598 17554 5376 1 10 . 1 1 23 23 ALA N N 23 120.670 120.670 123.055 -2.385 17554 5377 1 10 . 1 1 23 23 ALA HA H 23 3.015 3.015 4.277 -1.262 17554 5378 1 10 . 1 1 23 23 ALA CA C 23 54.845 54.845 55.218 -0.373 17554 5379 1 10 . 1 1 23 23 ALA CB C 23 19.900 19.900 18.247 1.653 17554 5380 1 10 . 1 1 23 23 ALA H H 23 8.043 8.043 8.153 -0.110 17554 5381 1 10 . 1 1 24 24 VAL N N 24 117.629 117.629 119.215 -1.586 17554 5382 1 10 . 1 1 24 24 VAL HA H 24 3.510 3.510 3.578 -0.068 17554 5383 1 10 . 1 1 24 24 VAL CA C 24 65.665 65.665 66.633 -0.968 17554 5384 1 10 . 1 1 24 24 VAL CB C 24 32.009 32.009 31.687 0.322 17554 5385 1 10 . 1 1 24 24 VAL H H 24 7.381 7.381 8.733 -1.352 17554 5386 1 10 . 1 1 25 25 TYR N N 25 120.392 120.392 121.185 -0.793 17554 5387 1 10 . 1 1 25 25 TYR HA H 25 3.860 3.860 4.028 -0.168 17554 5388 1 10 . 1 1 25 25 TYR CA C 25 62.098 62.098 61.285 0.813 17554 5389 1 10 . 1 1 25 25 TYR CB C 25 38.735 38.735 38.331 0.404 17554 5390 1 10 . 1 1 25 25 TYR H H 25 8.029 8.029 7.516 0.513 17554 5391 1 10 . 1 1 26 26 PHE N N 26 116.460 116.460 116.436 0.024 17554 5392 1 10 . 1 1 26 26 PHE HA H 26 4.181 4.181 4.082 0.099 17554 5393 1 10 . 1 1 26 26 PHE CA C 26 60.345 60.345 59.842 0.503 17554 5394 1 10 . 1 1 26 26 PHE CB C 26 37.917 37.917 38.605 -0.688 17554 5395 1 10 . 1 1 26 26 PHE H H 26 9.102 9.102 8.240 0.862 17554 5396 1 10 . 1 1 27 27 THR N N 27 106.212 106.212 108.555 -2.343 17554 5397 1 10 . 1 1 27 27 THR HA H 27 4.477 4.477 3.824 0.653 17554 5398 1 10 . 1 1 27 27 THR CA C 27 61.195 61.195 62.925 -1.730 17554 5399 1 10 . 1 1 27 27 THR CB C 27 69.061 69.061 68.726 0.335 17554 5400 1 10 . 1 1 27 27 THR H H 27 7.050 7.050 8.054 -1.004 17554 5401 1 10 . 1 1 28 28 GLY N N 28 107.275 107.275 109.812 -2.537 17554 5402 1 10 . 1 1 28 28 GLY CA C 28 46.575 46.575 44.978 1.597 17554 5403 1 10 . 1 1 28 28 GLY H H 28 7.278 7.278 7.292 -0.014 17554 5404 1 10 . 1 1 29 29 ASN N N 29 118.189 118.189 116.312 1.877 17554 5405 1 10 . 1 1 29 29 ASN HA H 29 4.342 4.342 4.305 0.037 17554 5406 1 10 . 1 1 29 29 ASN CA C 29 53.614 53.614 53.792 -0.179 17554 5407 1 10 . 1 1 29 29 ASN CB C 29 37.302 37.302 37.434 -0.132 17554 5408 1 10 . 1 1 29 29 ASN H H 29 8.704 8.704 8.453 0.251 17554 5409 1 10 . 1 1 30 30 MET N N 30 119.241 119.241 118.069 1.172 17554 5410 1 10 . 1 1 30 30 MET HA H 30 4.791 4.791 4.515 0.276 17554 5411 1 10 . 1 1 30 30 MET CA C 30 53.943 53.943 53.711 0.232 17554 5412 1 10 . 1 1 30 30 MET CB C 30 33.263 33.263 31.550 1.713 17554 5413 1 10 . 1 1 30 30 MET H H 30 8.921 8.921 7.779 1.142 17554 5414 1 10 . 1 1 31 31 GLY N N 31 109.623 109.623 106.493 3.130 17554 5415 1 10 . 1 1 31 31 GLY CA C 31 44.151 44.151 44.343 -0.192 17554 5416 1 10 . 1 1 31 31 GLY H H 31 8.349 8.349 7.251 1.098 17554 5417 1 10 . 1 1 32 32 ALA N N 32 121.096 121.096 123.040 -1.944 17554 5418 1 10 . 1 1 32 32 ALA HA H 32 3.980 3.980 4.052 -0.072 17554 5419 1 10 . 1 1 32 32 ALA CA C 32 55.192 55.192 54.964 0.228 17554 5420 1 10 . 1 1 32 32 ALA CB C 32 19.058 19.058 19.048 0.010 17554 5421 1 10 . 1 1 32 32 ALA H H 32 8.899 8.899 8.601 0.298 17554 5422 1 10 . 1 1 33 33 GLU N N 33 119.428 119.428 118.529 0.899 17554 5423 1 10 . 1 1 33 33 GLU HA H 33 4.095 4.095 4.092 0.003 17554 5424 1 10 . 1 1 33 33 GLU CA C 33 60.864 60.864 59.371 1.493 17554 5425 1 10 . 1 1 33 33 GLU CB C 33 28.661 28.661 28.624 0.037 17554 5426 1 10 . 1 1 33 33 GLU H H 33 8.705 8.705 8.766 -0.061 17554 5427 1 10 . 1 1 34 34 VAL N N 34 117.216 117.216 119.718 -2.502 17554 5428 1 10 . 1 1 34 34 VAL HA H 34 4.062 4.062 3.938 0.124 17554 5429 1 10 . 1 1 34 34 VAL CA C 34 65.178 65.178 65.835 -0.657 17554 5430 1 10 . 1 1 34 34 VAL CB C 34 31.684 31.684 31.406 0.278 17554 5431 1 10 . 1 1 34 34 VAL H H 34 8.178 8.178 7.511 0.667 17554 5432 1 10 . 1 1 35 35 ALA N N 35 123.635 123.635 122.900 0.735 17554 5433 1 10 . 1 1 35 35 ALA HA H 35 4.289 4.289 4.218 0.071 17554 5434 1 10 . 1 1 35 35 ALA CA C 35 54.787 54.787 54.942 -0.155 17554 5435 1 10 . 1 1 35 35 ALA CB C 35 19.794 19.794 18.412 1.382 17554 5436 1 10 . 1 1 35 35 ALA H H 35 7.178 7.178 7.890 -0.712 17554 5437 1 10 . 1 1 36 36 PHE N N 36 120.976 120.976 120.144 0.832 17554 5438 1 10 . 1 1 36 36 PHE HA H 36 4.079 4.079 4.122 -0.043 17554 5439 1 10 . 1 1 36 36 PHE CA C 36 61.339 61.339 61.849 -0.510 17554 5440 1 10 . 1 1 36 36 PHE CB C 36 38.952 38.952 39.378 -0.426 17554 5441 1 10 . 1 1 36 36 PHE H H 36 8.832 8.832 9.051 -0.219 17554 5442 1 10 . 1 1 37 37 ASN N N 37 114.823 114.823 117.932 -3.109 17554 5443 1 10 . 1 1 37 37 ASN HA H 37 4.318 4.318 4.348 -0.030 17554 5444 1 10 . 1 1 37 37 ASN CA C 37 56.379 56.379 56.625 -0.246 17554 5445 1 10 . 1 1 37 37 ASN CB C 37 38.288 38.288 38.835 -0.547 17554 5446 1 10 . 1 1 37 37 ASN H H 37 7.591 7.591 8.071 -0.480 17554 5447 1 10 . 1 1 38 38 TRP N N 38 119.984 119.984 121.661 -1.677 17554 5448 1 10 . 1 1 38 38 TRP HA H 38 4.191 4.191 4.512 -0.321 17554 5449 1 10 . 1 1 38 38 TRP CA C 38 62.279 62.279 60.587 1.692 17554 5450 1 10 . 1 1 38 38 TRP CB C 38 30.545 30.545 29.754 0.791 17554 5451 1 10 . 1 1 38 38 TRP H H 38 7.630 7.630 8.497 -0.867 17554 5452 1 10 . 1 1 39 39 ILE N N 39 121.183 121.183 121.148 0.035 17554 5453 1 10 . 1 1 39 39 ILE HA H 39 3.647 3.647 3.959 -0.312 17554 5454 1 10 . 1 1 39 39 ILE CA C 39 65.651 65.651 62.979 2.672 17554 5455 1 10 . 1 1 39 39 ILE CB C 39 36.375 36.375 38.238 -1.863 17554 5456 1 10 . 1 1 39 39 ILE H H 39 8.017 8.017 8.127 -0.110 17554 5457 1 10 . 1 1 40 40 ILE N N 40 115.084 115.084 117.171 -2.087 17554 5458 1 10 . 1 1 40 40 ILE HA H 40 3.665 3.665 3.737 -0.072 17554 5459 1 10 . 1 1 40 40 ILE CA C 40 63.224 63.224 64.118 -0.894 17554 5460 1 10 . 1 1 40 40 ILE CB C 40 36.681 36.681 37.388 -0.707 17554 5461 1 10 . 1 1 40 40 ILE H H 40 7.474 7.474 7.550 -0.076 17554 5462 1 10 . 1 1 41 41 VAL N N 41 116.045 116.045 119.586 -3.541 17554 5463 1 10 . 1 1 41 41 VAL HA H 41 3.661 3.661 3.659 0.002 17554 5464 1 10 . 1 1 41 41 VAL CA C 41 64.452 64.452 65.125 -0.673 17554 5465 1 10 . 1 1 41 41 VAL CB C 41 32.156 32.156 31.105 1.051 17554 5466 1 10 . 1 1 41 41 VAL H H 41 7.054 7.054 7.700 -0.646 17554 5467 1 10 . 1 1 42 42 HIS N N 42 115.595 115.595 118.402 -2.807 17554 5468 1 10 . 1 1 42 42 HIS HA H 42 4.098 4.098 4.455 -0.357 17554 5469 1 10 . 1 1 42 42 HIS CA C 42 57.365 57.365 57.952 -0.587 17554 5470 1 10 . 1 1 42 42 HIS CB C 42 28.251 28.251 29.117 -0.866 17554 5471 1 10 . 1 1 42 42 HIS H H 42 7.353 7.353 7.646 -0.293 17554 5472 1 10 . 1 1 43 43 MET N N 43 117.495 117.495 118.455 -0.960 17554 5473 1 10 . 1 1 43 43 MET HA H 43 2.064 2.064 3.770 -1.706 17554 5474 1 10 . 1 1 43 43 MET CA C 43 57.980 57.980 57.178 0.802 17554 5475 1 10 . 1 1 43 43 MET CB C 43 32.258 32.258 31.446 0.812 17554 5476 1 10 . 1 1 43 43 MET H H 43 7.373 7.373 7.361 0.013 17554 5477 1 10 . 1 1 44 44 GLU N N 44 116.844 116.844 116.642 0.202 17554 5478 1 10 . 1 1 44 44 GLU HA H 44 4.346 4.346 4.249 0.097 17554 5479 1 10 . 1 1 44 44 GLU CA C 44 55.838 55.838 55.345 0.493 17554 5480 1 10 . 1 1 44 44 GLU CB C 44 29.351 29.351 29.438 -0.087 17554 5481 1 10 . 1 1 44 44 GLU H H 44 8.102 8.102 7.652 0.450 17554 5482 1 10 . 1 1 45 45 GLU N N 45 121.925 121.925 121.452 0.473 17554 5483 1 10 . 1 1 45 45 GLU HA H 45 4.426 4.426 4.536 -0.110 17554 5484 1 10 . 1 1 45 45 GLU CA C 45 55.141 55.141 53.332 1.809 17554 5485 1 10 . 1 1 45 45 GLU CB C 45 28.513 28.513 30.096 -1.583 17554 5486 1 10 . 1 1 45 45 GLU H H 45 7.853 7.853 7.369 0.484 17554 5487 1 10 . 1 1 46 46 PRO HA H 46 4.440 4.440 4.416 0.024 17554 5488 1 10 . 1 1 46 46 PRO CA C 46 65.070 65.070 65.084 -0.014 17554 5489 1 10 . 1 1 46 46 PRO CB C 46 31.850 31.850 32.185 -0.335 17554 5490 1 10 . 1 1 47 47 ASP N N 47 115.051 115.051 116.784 -1.733 17554 5491 1 10 . 1 1 47 47 ASP HA H 47 4.686 4.686 4.795 -0.109 17554 5492 1 10 . 1 1 47 47 ASP CA C 47 52.841 52.841 52.769 0.072 17554 5493 1 10 . 1 1 47 47 ASP CB C 47 39.711 39.711 40.602 -0.891 17554 5494 1 10 . 1 1 47 47 ASP H H 47 8.437 8.437 8.510 -0.073 17554 5495 1 10 . 1 1 48 48 PHE N N 48 122.693 122.693 117.924 4.769 17554 5496 1 10 . 1 1 48 48 PHE HA H 48 4.522 4.522 4.448 0.074 17554 5497 1 10 . 1 1 48 48 PHE CA C 48 60.887 60.887 57.972 2.915 17554 5498 1 10 . 1 1 48 48 PHE CB C 48 40.495 40.495 39.039 1.456 17554 5499 1 10 . 1 1 48 48 PHE H H 48 7.695 7.695 7.902 -0.207 17554 5500 1 10 . 1 1 49 49 ALA N N 49 117.185 117.185 120.045 -2.860 17554 5501 1 10 . 1 1 49 49 ALA HA H 49 4.099 4.099 4.234 -0.135 17554 5502 1 10 . 1 1 49 49 ALA CA C 49 51.211 51.211 51.059 0.152 17554 5503 1 10 . 1 1 49 49 ALA CB C 49 19.067 19.067 19.546 -0.479 17554 5504 1 10 . 1 1 49 49 ALA H H 49 8.643 8.643 7.170 1.473 17554 5505 1 10 . 1 1 50 50 GLU N N 50 119.707 119.707 124.369 -4.662 17554 5506 1 10 . 1 1 50 50 GLU HA H 50 4.412 4.412 4.267 0.145 17554 5507 1 10 . 1 1 50 50 GLU CA C 50 54.755 54.755 54.696 0.059 17554 5508 1 10 . 1 1 50 50 GLU CB C 50 29.274 29.274 29.584 -0.310 17554 5509 1 10 . 1 1 50 50 GLU H H 50 7.412 7.412 8.411 -0.999 17554 5510 1 10 . 1 1 51 51 PRO HA H 51 4.315 4.315 4.043 0.273 17554 5511 1 10 . 1 1 51 51 PRO CA C 51 62.863 62.863 62.381 0.482 17554 5512 1 10 . 1 1 51 51 PRO CB C 51 32.408 32.408 30.471 1.937 17554 5513 1 10 . 1 1 52 52 LEU N N 52 123.507 123.507 122.211 1.296 17554 5514 1 10 . 1 1 52 52 LEU HA H 52 4.210 4.210 4.215 -0.005 17554 5515 1 10 . 1 1 52 52 LEU CA C 52 55.217 55.217 55.238 -0.021 17554 5516 1 10 . 1 1 52 52 LEU CB C 52 42.918 42.918 41.436 1.482 17554 5517 1 10 . 1 1 52 52 LEU H H 52 8.475 8.475 7.598 0.877 17554 5518 1 10 . 1 1 53 53 THR N N 53 119.005 119.005 120.263 -1.258 17554 5519 1 10 . 1 1 53 53 THR HA H 53 4.292 4.292 3.990 0.302 17554 5520 1 10 . 1 1 53 53 THR CA C 53 61.478 61.478 63.228 -1.750 17554 5521 1 10 . 1 1 53 53 THR CB C 53 69.752 69.752 67.269 2.483 17554 5522 1 10 . 1 1 53 53 THR H H 53 8.371 8.371 8.356 0.015 17554 5523 1 10 . 1 1 54 54 MET N N 54 124.439 124.439 120.471 3.968 17554 5524 1 10 . 1 1 54 54 MET HA H 54 4.651 4.651 4.655 -0.004 17554 5525 1 10 . 1 1 54 54 MET CA C 54 53.235 53.235 53.184 0.050 17554 5526 1 10 . 1 1 54 54 MET CB C 54 32.605 32.605 32.282 0.323 17554 5527 1 10 . 1 1 54 54 MET H H 54 8.264 8.264 7.769 0.495 17554 5528 1 10 . 1 1 55 55 PRO HA H 55 4.368 4.368 4.546 -0.178 17554 5529 1 10 . 1 1 55 55 PRO CA C 55 63.668 63.668 62.347 1.321 17554 5530 1 10 . 1 1 55 55 PRO CB C 55 32.038 32.038 32.741 -0.703 17554 5531 1 10 . 1 1 56 56 GLY N N 56 109.663 109.663 106.630 3.033 17554 5532 1 10 . 1 1 56 56 GLY CA C 56 45.314 45.314 45.325 -0.012 17554 5533 1 10 . 1 1 56 56 GLY H H 56 8.461 8.461 8.206 0.255 17554 5534 1 10 . 1 1 57 57 TYR N N 57 120.317 120.317 125.861 -5.544 17554 5535 1 10 . 1 1 57 57 TYR HA H 57 4.528 4.528 4.808 -0.280 17554 5536 1 10 . 1 1 57 57 TYR CA C 57 58.132 58.132 57.530 0.602 17554 5537 1 10 . 1 1 57 57 TYR CB C 57 38.958 38.958 39.837 -0.879 17554 5538 1 10 . 1 1 57 57 TYR H H 57 8.033 8.033 8.212 -0.179 17554 5539 1 10 . 1 1 58 58 GLY N N 58 111.694 111.694 113.771 -2.077 17554 5540 1 10 . 1 1 58 58 GLY CA C 58 45.489 45.489 45.099 0.390 17554 5541 1 10 . 1 1 58 58 GLY H H 58 8.423 8.423 7.784 0.639 17554 5542 1 10 . 1 1 59 59 GLY N N 59 108.403 108.403 107.106 1.297 17554 5543 1 10 . 1 1 59 59 GLY CA C 59 45.210 45.210 46.037 -0.827 17554 5544 1 10 . 1 1 59 59 GLY H H 59 7.871 7.871 8.874 -1.003 17554 5545 1 10 . 1 1 60 60 ALA N N 60 123.835 123.835 122.335 1.500 17554 5546 1 10 . 1 1 60 60 ALA HA H 60 4.294 4.294 4.636 -0.342 17554 5547 1 10 . 1 1 60 60 ALA CA C 60 52.710 52.710 51.529 1.181 17554 5548 1 10 . 1 1 60 60 ALA CB C 60 19.353 19.353 20.411 -1.058 17554 5549 1 10 . 1 1 60 60 ALA H H 60 8.207 8.207 7.524 0.683 17554 5550 1 10 . 1 1 61 61 ALA N N 61 123.032 123.032 122.133 0.899 17554 5551 1 10 . 1 1 61 61 ALA HA H 61 4.316 4.316 4.807 -0.491 17554 5552 1 10 . 1 1 61 61 ALA CA C 61 52.751 52.751 51.356 1.395 17554 5553 1 10 . 1 1 61 61 ALA CB C 61 19.096 19.096 19.859 -0.763 17554 5554 1 10 . 1 1 61 61 ALA H H 61 8.331 8.331 8.197 0.134 17554 5555 1 10 . 1 1 62 62 SER N N 62 114.625 114.625 115.988 -1.363 17554 5556 1 10 . 1 1 62 62 SER HA H 62 4.406 4.406 4.580 -0.174 17554 5557 1 10 . 1 1 62 62 SER CA C 62 58.283 58.283 57.366 0.917 17554 5558 1 10 . 1 1 62 62 SER CB C 62 63.858 63.858 63.221 0.637 17554 5559 1 10 . 1 1 62 62 SER H H 62 8.158 8.158 8.421 -0.263 17554 5560 1 10 . 1 1 63 63 ALA N N 63 125.890 125.890 127.945 -2.055 17554 5561 1 10 . 1 1 63 63 ALA HA H 63 4.314 4.314 4.662 -0.348 17554 5562 1 10 . 1 1 63 63 ALA CA C 63 52.926 52.926 51.978 0.948 17554 5563 1 10 . 1 1 63 63 ALA CB C 63 19.216 19.216 19.725 -0.509 17554 5564 1 10 . 1 1 63 63 ALA H H 63 8.294 8.294 8.550 -0.256 17554 5565 1 10 . 1 1 64 64 GLY N N 64 107.980 107.980 109.139 -1.159 17554 5566 1 10 . 1 1 64 64 GLY CA C 64 45.324 45.324 45.366 -0.042 17554 5567 1 10 . 1 1 64 64 GLY H H 64 8.321 8.321 8.817 -0.496 17554 5568 1 10 . 1 1 65 65 ALA N N 65 123.524 123.524 122.283 1.241 17554 5569 1 10 . 1 1 65 65 ALA HA H 65 4.330 4.330 4.169 0.161 17554 5570 1 10 . 1 1 65 65 ALA CA C 65 52.589 52.589 52.114 0.475 17554 5571 1 10 . 1 1 65 65 ALA CB C 65 19.438 19.438 18.046 1.392 17554 5572 1 10 . 1 1 65 65 ALA H H 65 8.088 8.088 8.177 -0.089 17554 5573 1 10 . 1 1 66 66 SER N N 66 115.072 115.072 116.207 -1.135 17554 5574 1 10 . 1 1 66 66 SER HA H 66 4.442 4.442 4.343 0.099 17554 5575 1 10 . 1 1 66 66 SER CA C 66 58.334 58.334 59.156 -0.822 17554 5576 1 10 . 1 1 66 66 SER CB C 66 63.804 63.804 63.617 0.187 17554 5577 1 10 . 1 1 66 66 SER H H 66 8.297 8.297 8.513 -0.216 17554 5578 1 10 . 1 1 67 67 VAL N N 67 121.228 121.228 119.083 2.145 17554 5579 1 10 . 1 1 67 67 VAL HA H 67 4.075 4.075 4.440 -0.365 17554 5580 1 10 . 1 1 67 67 VAL CA C 67 62.417 62.417 61.759 0.658 17554 5581 1 10 . 1 1 67 67 VAL CB C 67 32.611 32.611 32.529 0.082 17554 5582 1 10 . 1 1 67 67 VAL H H 67 8.007 8.007 7.587 0.420 17554 5583 1 10 . 1 1 68 68 PHE N N 68 123.068 123.068 122.677 0.391 17554 5584 1 10 . 1 1 68 68 PHE HA H 68 4.618 4.618 4.787 -0.169 17554 5585 1 10 . 1 1 68 68 PHE CA C 68 57.981 57.981 57.483 0.498 17554 5586 1 10 . 1 1 68 68 PHE CB C 68 39.618 39.618 41.757 -2.139 17554 5587 1 10 . 1 1 68 68 PHE H H 68 8.255 8.255 8.446 -0.191 17554 5588 1 10 . 1 1 69 69 GLY N N 69 110.709 110.709 112.060 -1.351 17554 5589 1 10 . 1 1 69 69 GLY CA C 69 45.339 45.339 44.426 0.913 17554 5590 1 10 . 1 1 69 69 GLY H H 69 8.234 8.234 7.753 0.481 17554 5591 1 10 . 1 1 70 70 ALA N N 70 123.857 123.857 126.882 -3.025 17554 5592 1 10 . 1 1 70 70 ALA HA H 70 4.348 4.348 4.176 0.172 17554 5593 1 10 . 1 1 70 70 ALA CA C 70 52.626 52.626 52.772 -0.145 17554 5594 1 10 . 1 1 70 70 ALA CB C 70 19.386 19.386 19.077 0.309 17554 5595 1 10 . 1 1 70 70 ALA H H 70 8.140 8.140 8.327 -0.187 17554 5596 1 10 . 1 1 71 71 SER N N 71 115.019 115.019 113.591 1.428 17554 5597 1 10 . 1 1 71 71 SER HA H 71 4.441 4.441 4.155 0.286 17554 5598 1 10 . 1 1 71 71 SER CA C 71 58.592 58.592 59.852 -1.260 17554 5599 1 10 . 1 1 71 71 SER CB C 71 63.975 63.975 61.848 2.127 17554 5600 1 10 . 1 1 71 71 SER H H 71 8.379 8.379 8.358 0.021 17554 5601 1 10 . 1 1 72 72 GLY N N 72 110.640 110.640 112.326 -1.686 17554 5602 1 10 . 1 1 72 72 GLY CA C 72 45.546 45.546 44.932 0.614 17554 5603 1 10 . 1 1 72 72 GLY H H 72 8.395 8.395 8.187 0.208 17554 5604 1 10 . 1 1 73 73 LEU N N 73 121.191 121.191 126.808 -5.617 17554 5605 1 10 . 1 1 73 73 LEU HA H 73 4.319 4.319 4.609 -0.290 17554 5606 1 10 . 1 1 73 73 LEU CA C 73 55.292 55.292 54.009 1.283 17554 5607 1 10 . 1 1 73 73 LEU CB C 73 42.355 42.355 41.612 0.743 17554 5608 1 10 . 1 1 73 73 LEU H H 73 8.088 8.088 7.908 0.180 17554 5609 1 10 . 1 1 74 74 ASP N N 74 120.099 120.099 125.460 -5.361 17554 5610 1 10 . 1 1 74 74 ASP HA H 74 4.549 4.549 4.662 -0.113 17554 5611 1 10 . 1 1 74 74 ASP CA C 74 54.451 54.451 54.330 0.121 17554 5612 1 10 . 1 1 74 74 ASP CB C 74 41.071 41.071 42.057 -0.986 17554 5613 1 10 . 1 1 74 74 ASP H H 74 8.312 8.312 8.521 -0.209 17554 5614 1 10 . 1 1 75 75 ASN N N 75 118.544 118.544 121.196 -2.652 17554 5615 1 10 . 1 1 75 75 ASN HA H 75 4.627 4.627 4.699 -0.072 17554 5616 1 10 . 1 1 75 75 ASN CA C 75 53.043 53.043 52.544 0.499 17554 5617 1 10 . 1 1 75 75 ASN CB C 75 38.723 38.723 40.299 -1.576 17554 5618 1 10 . 1 1 75 75 ASN H H 75 8.254 8.254 8.361 -0.107 17554 5619 1 10 . 1 1 76 76 GLN N N 76 121.475 121.475 121.853 -0.378 17554 5620 1 10 . 1 1 76 76 GLN HA H 76 4.527 4.527 4.679 -0.152 17554 5621 1 10 . 1 1 76 76 GLN CA C 76 53.613 53.613 53.483 0.130 17554 5622 1 10 . 1 1 76 76 GLN CB C 76 28.697 28.697 30.217 -1.520 17554 5623 1 10 . 1 1 76 76 GLN H H 76 8.228 8.228 8.501 -0.273 17554 5624 1 10 . 1 1 77 77 PRO HA H 77 4.566 4.566 4.668 -0.102 17554 5625 1 10 . 1 1 77 77 PRO CA C 77 61.219 61.219 61.912 -0.693 17554 5626 1 10 . 1 1 77 77 PRO CB C 77 31.453 31.453 31.385 0.068 17554 5627 1 10 . 1 1 78 78 PRO HA H 78 4.449 4.449 4.407 0.042 17554 5628 1 10 . 1 1 78 78 PRO CA C 78 62.743 62.743 63.129 -0.386 17554 5629 1 10 . 1 1 78 78 PRO CB C 78 32.168 32.168 31.829 0.339 17554 5630 1 10 . 1 1 79 79 GLU N N 79 127.716 127.716 126.758 0.958 17554 5631 1 10 . 1 1 79 79 GLU HA H 79 3.843 3.843 3.785 0.058 17554 5632 1 10 . 1 1 79 79 GLU CA C 79 59.074 59.074 59.853 -0.779 17554 5633 1 10 . 1 1 79 79 GLU CB C 79 28.921 28.921 28.783 0.138 17554 5634 1 10 . 1 1 79 79 GLU H H 79 9.073 9.073 8.836 0.237 17554 5635 1 10 . 1 1 80 80 GLU N N 80 117.579 117.579 120.479 -2.900 17554 5636 1 10 . 1 1 80 80 GLU HA H 80 4.120 4.120 4.089 0.031 17554 5637 1 10 . 1 1 80 80 GLU CA C 80 59.468 59.468 59.163 0.304 17554 5638 1 10 . 1 1 80 80 GLU CB C 80 28.680 28.680 29.144 -0.464 17554 5639 1 10 . 1 1 80 80 GLU H H 80 9.604 9.604 8.752 0.852 17554 5640 1 10 . 1 1 81 81 ILE N N 81 117.488 117.488 119.765 -2.277 17554 5641 1 10 . 1 1 81 81 ILE HA H 81 4.068 4.068 3.853 0.215 17554 5642 1 10 . 1 1 81 81 ILE CA C 81 63.261 63.261 64.314 -1.053 17554 5643 1 10 . 1 1 81 81 ILE CB C 81 37.248 37.248 38.344 -1.096 17554 5644 1 10 . 1 1 81 81 ILE H H 81 7.172 7.172 7.602 -0.430 17554 5645 1 10 . 1 1 82 82 VAL N N 82 121.739 121.739 118.445 3.294 17554 5646 1 10 . 1 1 82 82 VAL HA H 82 3.143 3.143 3.629 -0.486 17554 5647 1 10 . 1 1 82 82 VAL CA C 82 67.507 67.507 66.571 0.936 17554 5648 1 10 . 1 1 82 82 VAL CB C 82 31.816 31.816 31.267 0.549 17554 5649 1 10 . 1 1 82 82 VAL H H 82 7.591 7.591 8.606 -1.015 17554 5650 1 10 . 1 1 83 83 ALA N N 83 118.311 118.311 123.073 -4.762 17554 5651 1 10 . 1 1 83 83 ALA HA H 83 4.341 4.341 4.009 0.332 17554 5652 1 10 . 1 1 83 83 ALA CA C 83 54.186 54.186 55.116 -0.930 17554 5653 1 10 . 1 1 83 83 ALA CB C 83 18.026 18.026 18.164 -0.138 17554 5654 1 10 . 1 1 83 83 ALA H H 83 8.260 8.260 7.754 0.506 17554 5655 1 10 . 1 1 84 84 ILE N N 84 119.780 119.780 119.881 -0.101 17554 5656 1 10 . 1 1 84 84 ILE HA H 84 3.737 3.737 3.594 0.143 17554 5657 1 10 . 1 1 84 84 ILE CA C 84 65.095 65.095 65.582 -0.487 17554 5658 1 10 . 1 1 84 84 ILE CB C 84 38.070 38.070 37.979 0.091 17554 5659 1 10 . 1 1 84 84 ILE H H 84 7.298 7.298 7.722 -0.424 17554 5660 1 10 . 1 1 85 85 ILE N N 85 119.424 119.424 119.300 0.124 17554 5661 1 10 . 1 1 85 85 ILE HA H 85 3.884 3.884 3.712 0.172 17554 5662 1 10 . 1 1 85 85 ILE CA C 85 66.207 66.207 65.881 0.326 17554 5663 1 10 . 1 1 85 85 ILE CB C 85 38.043 38.043 37.895 0.148 17554 5664 1 10 . 1 1 85 85 ILE H H 85 7.426 7.426 8.553 -1.127 17554 5665 1 10 . 1 1 86 86 THR N N 86 112.538 112.538 114.449 -1.911 17554 5666 1 10 . 1 1 86 86 THR HA H 86 4.669 4.669 4.268 0.401 17554 5667 1 10 . 1 1 86 86 THR CA C 86 64.995 64.995 65.340 -0.345 17554 5668 1 10 . 1 1 86 86 THR CB C 86 68.293 68.293 68.498 -0.205 17554 5669 1 10 . 1 1 86 86 THR H H 86 9.097 9.097 8.278 0.819 17554 5670 1 10 . 1 1 87 87 SER N N 87 120.681 120.681 117.000 3.681 17554 5671 1 10 . 1 1 87 87 SER HA H 87 4.397 4.397 4.264 0.133 17554 5672 1 10 . 1 1 87 87 SER CA C 87 61.715 61.715 61.013 0.702 17554 5673 1 10 . 1 1 87 87 SER CB C 87 62.804 62.804 63.091 -0.287 17554 5674 1 10 . 1 1 87 87 SER H H 87 8.250 8.250 8.086 0.164 17554 5675 1 10 . 1 1 88 88 MET N N 88 119.753 119.753 118.231 1.522 17554 5676 1 10 . 1 1 88 88 MET HA H 88 4.399 4.399 4.278 0.121 17554 5677 1 10 . 1 1 88 88 MET CA C 88 56.596 56.596 55.684 0.912 17554 5678 1 10 . 1 1 88 88 MET CB C 88 33.330 33.330 32.471 0.859 17554 5679 1 10 . 1 1 88 88 MET H H 88 7.550 7.550 7.799 -0.249 17554 5680 1 10 . 1 1 89 89 GLY N N 89 105.282 105.282 103.544 1.738 17554 5681 1 10 . 1 1 89 89 GLY CA C 89 44.767 44.767 44.559 0.208 17554 5682 1 10 . 1 1 89 89 GLY H H 89 7.866 7.866 7.467 0.399 17554 5683 1 10 . 1 1 90 90 PHE N N 90 118.182 118.182 119.250 -1.068 17554 5684 1 10 . 1 1 90 90 PHE HA H 90 4.721 4.721 4.842 -0.121 17554 5685 1 10 . 1 1 90 90 PHE CA C 90 57.670 57.670 56.365 1.305 17554 5686 1 10 . 1 1 90 90 PHE CB C 90 39.706 39.706 40.926 -1.220 17554 5687 1 10 . 1 1 90 90 PHE H H 90 6.675 6.675 7.515 -0.840 17554 5688 1 10 . 1 1 91 91 GLN N N 91 118.581 118.581 118.173 0.408 17554 5689 1 10 . 1 1 91 91 GLN HA H 91 4.356 4.356 4.634 -0.278 17554 5690 1 10 . 1 1 91 91 GLN CA C 91 55.485 55.485 54.698 0.787 17554 5691 1 10 . 1 1 91 91 GLN CB C 91 29.969 29.969 31.535 -1.566 17554 5692 1 10 . 1 1 91 91 GLN H H 91 8.854 8.854 8.437 0.417 17554 5693 1 10 . 1 1 92 92 ARG N N 92 124.037 124.037 127.212 -3.175 17554 5694 1 10 . 1 1 92 92 ARG HA H 92 3.624 3.624 3.937 -0.313 17554 5695 1 10 . 1 1 92 92 ARG CA C 92 60.847 60.847 60.638 0.209 17554 5696 1 10 . 1 1 92 92 ARG CB C 92 29.579 29.579 29.968 -0.389 17554 5697 1 10 . 1 1 92 92 ARG H H 92 9.124 9.124 8.887 0.237 17554 5698 1 10 . 1 1 93 93 ASN N N 93 115.060 115.060 117.614 -2.554 17554 5699 1 10 . 1 1 93 93 ASN HA H 93 4.395 4.395 4.451 -0.056 17554 5700 1 10 . 1 1 93 93 ASN CA C 93 56.562 56.562 56.255 0.307 17554 5701 1 10 . 1 1 93 93 ASN CB C 93 37.059 37.059 37.876 -0.817 17554 5702 1 10 . 1 1 93 93 ASN H H 93 9.117 9.117 8.641 0.476 17554 5703 1 10 . 1 1 94 94 GLN N N 94 119.980 119.980 119.390 0.590 17554 5704 1 10 . 1 1 94 94 GLN HA H 94 3.933 3.933 4.070 -0.137 17554 5705 1 10 . 1 1 94 94 GLN CA C 94 58.775 58.775 58.932 -0.157 17554 5706 1 10 . 1 1 94 94 GLN CB C 94 29.075 29.075 28.490 0.585 17554 5707 1 10 . 1 1 94 94 GLN H H 94 7.033 7.033 8.477 -1.444 17554 5708 1 10 . 1 1 95 95 ALA N N 95 120.823 120.823 122.946 -2.123 17554 5709 1 10 . 1 1 95 95 ALA HA H 95 3.761 3.761 3.965 -0.204 17554 5710 1 10 . 1 1 95 95 ALA CA C 95 55.680 55.680 55.136 0.544 17554 5711 1 10 . 1 1 95 95 ALA CB C 95 19.601 19.601 18.453 1.148 17554 5712 1 10 . 1 1 95 95 ALA H H 95 7.996 7.996 8.317 -0.321 17554 5713 1 10 . 1 1 96 96 ILE N N 96 116.250 116.250 120.305 -4.055 17554 5714 1 10 . 1 1 96 96 ILE HA H 96 3.420 3.420 3.458 -0.038 17554 5715 1 10 . 1 1 96 96 ILE CA C 96 65.611 65.611 66.417 -0.806 17554 5716 1 10 . 1 1 96 96 ILE CB C 96 37.869 37.869 37.974 -0.105 17554 5717 1 10 . 1 1 96 96 ILE H H 96 8.408 8.408 8.242 0.166 17554 5718 1 10 . 1 1 97 97 GLN N N 97 118.601 118.601 119.173 -0.572 17554 5719 1 10 . 1 1 97 97 GLN HA H 97 3.734 3.734 3.689 0.045 17554 5720 1 10 . 1 1 97 97 GLN CA C 97 59.011 59.011 59.245 -0.234 17554 5721 1 10 . 1 1 97 97 GLN CB C 97 28.425 28.425 28.505 -0.080 17554 5722 1 10 . 1 1 97 97 GLN H H 97 7.767 7.767 8.098 -0.331 17554 5723 1 10 . 1 1 98 98 ALA N N 98 121.375 121.375 122.543 -1.168 17554 5724 1 10 . 1 1 98 98 ALA HA H 98 2.748 2.748 2.951 -0.203 17554 5725 1 10 . 1 1 98 98 ALA CA C 98 54.408 54.408 54.790 -0.382 17554 5726 1 10 . 1 1 98 98 ALA CB C 98 20.084 20.084 18.322 1.762 17554 5727 1 10 . 1 1 98 98 ALA H H 98 7.905 7.905 7.741 0.164 17554 5728 1 10 . 1 1 99 99 LEU N N 99 118.409 118.409 118.999 -0.590 17554 5729 1 10 . 1 1 99 99 LEU HA H 99 3.717 3.717 4.028 -0.311 17554 5730 1 10 . 1 1 99 99 LEU CA C 99 57.529 57.529 57.236 0.293 17554 5731 1 10 . 1 1 99 99 LEU CB C 99 40.714 40.714 41.393 -0.679 17554 5732 1 10 . 1 1 99 99 LEU H H 99 7.938 7.938 8.278 -0.340 17554 5733 1 10 . 1 1 100 100 ARG N N 100 119.771 119.771 119.585 0.186 17554 5734 1 10 . 1 1 100 100 ARG HA H 100 4.107 4.107 3.801 0.306 17554 5735 1 10 . 1 1 100 100 ARG CA C 100 59.182 59.182 59.426 -0.244 17554 5736 1 10 . 1 1 100 100 ARG CB C 100 30.021 30.021 29.846 0.175 17554 5737 1 10 . 1 1 100 100 ARG H H 100 8.248 8.248 8.299 -0.051 17554 5738 1 10 . 1 1 101 101 ALA N N 101 119.288 119.288 118.935 0.353 17554 5739 1 10 . 1 1 101 101 ALA HA H 101 3.983 3.983 4.042 -0.059 17554 5740 1 10 . 1 1 101 101 ALA CA C 101 53.663 53.663 54.116 -0.453 17554 5741 1 10 . 1 1 101 101 ALA CB C 101 17.946 17.946 18.417 -0.471 17554 5742 1 10 . 1 1 101 101 ALA H H 101 7.324 7.324 7.320 0.004 17554 5743 1 10 . 1 1 102 102 THR N N 102 105.233 105.233 107.149 -1.916 17554 5744 1 10 . 1 1 102 102 THR HA H 102 4.429 4.429 4.246 0.183 17554 5745 1 10 . 1 1 102 102 THR CA C 102 60.535 60.535 62.165 -1.630 17554 5746 1 10 . 1 1 102 102 THR CB C 102 71.036 71.036 69.624 1.413 17554 5747 1 10 . 1 1 102 102 THR H H 102 7.113 7.113 7.861 -0.748 17554 5748 1 10 . 1 1 103 103 ASN N N 103 119.293 119.293 117.754 1.539 17554 5749 1 10 . 1 1 103 103 ASN HA H 103 4.343 4.343 4.393 -0.050 17554 5750 1 10 . 1 1 103 103 ASN CA C 103 54.462 54.462 54.454 0.008 17554 5751 1 10 . 1 1 103 103 ASN CB C 103 36.960 36.960 36.536 0.424 17554 5752 1 10 . 1 1 103 103 ASN H H 103 7.701 7.701 7.982 -0.281 17554 5753 1 10 . 1 1 104 104 ASN N N 104 108.274 108.274 109.825 -1.551 17554 5754 1 10 . 1 1 104 104 ASN HA H 104 3.956 3.956 4.285 -0.329 17554 5755 1 10 . 1 1 104 104 ASN CA C 104 54.757 54.757 54.855 -0.098 17554 5756 1 10 . 1 1 104 104 ASN CB C 104 36.151 36.151 36.914 -0.763 17554 5757 1 10 . 1 1 104 104 ASN H H 104 9.048 9.048 8.837 0.211 17554 5758 1 10 . 1 1 105 105 ASN N N 105 118.458 118.458 118.977 -0.519 17554 5759 1 10 . 1 1 105 105 ASN HA H 105 4.728 4.728 4.821 -0.093 17554 5760 1 10 . 1 1 105 105 ASN CA C 105 53.081 53.081 52.409 0.672 17554 5761 1 10 . 1 1 105 105 ASN CB C 105 40.405 40.405 38.350 2.055 17554 5762 1 10 . 1 1 105 105 ASN H H 105 7.061 7.061 7.545 -0.484 17554 5763 1 10 . 1 1 106 106 LEU N N 106 128.727 128.727 127.762 0.965 17554 5764 1 10 . 1 1 106 106 LEU HA H 106 3.732 3.732 3.879 -0.147 17554 5765 1 10 . 1 1 106 106 LEU CA C 106 59.307 59.307 59.846 -0.539 17554 5766 1 10 . 1 1 106 106 LEU CB C 106 42.071 42.071 42.188 -0.117 17554 5767 1 10 . 1 1 106 106 LEU H H 106 8.718 8.718 7.880 0.838 17554 5768 1 10 . 1 1 107 107 GLU N N 107 117.325 117.325 118.270 -0.945 17554 5769 1 10 . 1 1 107 107 GLU HA H 107 3.890 3.890 4.028 -0.138 17554 5770 1 10 . 1 1 107 107 GLU CA C 107 60.871 60.871 59.794 1.077 17554 5771 1 10 . 1 1 107 107 GLU CB C 107 28.881 28.881 28.429 0.452 17554 5772 1 10 . 1 1 107 107 GLU H H 107 8.390 8.390 8.661 -0.271 17554 5773 1 10 . 1 1 108 108 ARG N N 108 117.912 117.912 120.512 -2.600 17554 5774 1 10 . 1 1 108 108 ARG HA H 108 4.265 4.265 4.274 -0.009 17554 5775 1 10 . 1 1 108 108 ARG CA C 108 58.748 58.748 58.594 0.154 17554 5776 1 10 . 1 1 108 108 ARG CB C 108 30.650 30.650 29.894 0.756 17554 5777 1 10 . 1 1 108 108 ARG H H 108 8.410 8.410 8.166 0.244 17554 5778 1 10 . 1 1 109 109 ALA N N 109 127.124 127.124 123.489 3.635 17554 5779 1 10 . 1 1 109 109 ALA HA H 109 3.900 3.900 4.069 -0.169 17554 5780 1 10 . 1 1 109 109 ALA CA C 109 55.518 55.518 55.296 0.222 17554 5781 1 10 . 1 1 109 109 ALA CB C 109 17.772 17.772 18.331 -0.559 17554 5782 1 10 . 1 1 109 109 ALA H H 109 9.083 9.083 8.505 0.578 17554 5783 1 10 . 1 1 110 110 LEU N N 110 118.715 118.715 119.025 -0.310 17554 5784 1 10 . 1 1 110 110 LEU HA H 110 3.777 3.777 3.558 0.219 17554 5785 1 10 . 1 1 110 110 LEU CA C 110 57.997 57.997 58.073 -0.076 17554 5786 1 10 . 1 1 110 110 LEU CB C 110 40.963 40.963 41.410 -0.447 17554 5787 1 10 . 1 1 110 110 LEU H H 110 8.215 8.215 8.150 0.065 17554 5788 1 10 . 1 1 111 111 ASP N N 111 118.516 118.516 119.978 -1.462 17554 5789 1 10 . 1 1 111 111 ASP HA H 111 4.484 4.484 4.551 -0.067 17554 5790 1 10 . 1 1 111 111 ASP CA C 111 57.634 57.634 58.805 -1.171 17554 5791 1 10 . 1 1 111 111 ASP CB C 111 41.026 41.026 41.058 -0.032 17554 5792 1 10 . 1 1 111 111 ASP H H 111 7.400 7.400 8.514 -1.114 17554 5793 1 10 . 1 1 112 112 TRP N N 112 122.780 122.780 120.944 1.836 17554 5794 1 10 . 1 1 112 112 TRP HA H 112 4.097 4.097 4.336 -0.239 17554 5795 1 10 . 1 1 112 112 TRP CA C 112 62.365 62.365 60.991 1.374 17554 5796 1 10 . 1 1 112 112 TRP CB C 112 29.490 29.490 29.703 -0.213 17554 5797 1 10 . 1 1 112 112 TRP H H 112 8.525 8.525 8.410 0.115 17554 5798 1 10 . 1 1 113 113 ILE N N 113 122.469 122.469 118.949 3.520 17554 5799 1 10 . 1 1 113 113 ILE HA H 113 3.575 3.575 3.500 0.075 17554 5800 1 10 . 1 1 113 113 ILE CA C 113 66.239 66.239 65.098 1.141 17554 5801 1 10 . 1 1 113 113 ILE CB C 113 37.688 37.688 37.237 0.451 17554 5802 1 10 . 1 1 113 113 ILE H H 113 8.618 8.618 8.526 0.092 17554 5803 1 10 . 1 1 114 114 PHE N N 114 118.665 118.665 119.481 -0.816 17554 5804 1 10 . 1 1 114 114 PHE HA H 114 4.386 4.386 4.272 0.114 17554 5805 1 10 . 1 1 114 114 PHE CA C 114 60.111 60.111 60.371 -0.260 17554 5806 1 10 . 1 1 114 114 PHE CB C 114 38.344 38.344 38.513 -0.169 17554 5807 1 10 . 1 1 114 114 PHE H H 114 8.109 8.109 8.578 -0.469 17554 5808 1 10 . 1 1 115 115 SER N N 115 111.172 111.172 110.903 0.269 17554 5809 1 10 . 1 1 115 115 SER HA H 115 4.333 4.333 4.337 -0.004 17554 5810 1 10 . 1 1 115 115 SER CA C 115 58.593 58.593 59.154 -0.561 17554 5811 1 10 . 1 1 115 115 SER CB C 115 64.067 64.067 63.181 0.886 17554 5812 1 10 . 1 1 115 115 SER H H 115 7.723 7.723 7.701 0.022 17554 5813 1 10 . 1 1 116 116 HIS N N 116 119.686 119.686 119.806 -0.120 17554 5814 1 10 . 1 1 116 116 HIS HA H 116 4.749 4.749 5.274 -0.525 17554 5815 1 10 . 1 1 116 116 HIS CA C 116 54.476 54.476 52.667 1.808 17554 5816 1 10 . 1 1 116 116 HIS CB C 116 27.310 27.310 29.846 -2.536 17554 5817 1 10 . 1 1 116 116 HIS H H 116 7.407 7.407 7.373 0.034 17554 5818 1 10 . 1 1 117 117 PRO HA H 117 4.465 4.465 4.238 0.227 17554 5819 1 10 . 1 1 117 117 PRO CA C 117 64.170 64.170 64.892 -0.723 17554 5820 1 10 . 1 1 117 117 PRO CB C 117 31.939 31.939 32.511 -0.572 17554 5821 1 10 . 1 1 118 118 GLU N N 118 119.986 119.986 112.717 7.269 17554 5822 1 10 . 1 1 118 118 GLU HA H 118 4.338 4.338 4.067 0.271 17554 5823 1 10 . 1 1 118 118 GLU CA C 118 56.440 56.440 56.275 0.165 17554 5824 1 10 . 1 1 118 118 GLU CB C 118 29.469 29.469 29.742 -0.273 17554 5825 1 10 . 1 1 118 118 GLU H H 118 8.667 8.667 7.932 0.735 17554 5826 1 10 . 1 1 119 119 PHE N N 119 121.581 121.581 121.195 0.386 17554 5827 1 10 . 1 1 119 119 PHE HA H 119 4.632 4.632 4.641 -0.009 17554 5828 1 10 . 1 1 119 119 PHE CA C 119 57.981 57.981 57.513 0.468 17554 5829 1 10 . 1 1 119 119 PHE CB C 119 39.805 39.805 39.851 -0.046 17554 5830 1 10 . 1 1 119 119 PHE H H 119 8.054 8.054 7.950 0.104 17554 5831 1 10 . 1 1 120 120 GLU N N 120 123.882 123.882 118.994 4.888 17554 5832 1 10 . 1 1 120 120 GLU HA H 120 4.273 4.273 3.938 0.335 17554 5833 1 10 . 1 1 120 120 GLU CA C 120 56.127 56.127 57.458 -1.331 17554 5834 1 10 . 1 1 120 120 GLU CB C 120 30.789 30.789 28.834 1.955 17554 5835 1 10 . 1 1 120 120 GLU H H 120 8.264 8.264 7.885 0.379 17554 5836 1 10 . 1 1 121 121 GLU N N 121 122.504 122.504 120.599 1.905 17554 5837 1 10 . 1 1 121 121 GLU HA H 121 4.213 4.213 4.514 -0.301 17554 5838 1 10 . 1 1 121 121 GLU CA C 121 56.634 56.634 55.344 1.290 17554 5839 1 10 . 1 1 121 121 GLU CB C 121 30.580 30.580 31.752 -1.172 17554 5840 1 10 . 1 1 121 121 GLU H H 121 8.398 8.398 8.370 0.028 17554 5841 1 10 . 1 1 122 122 ASP N N 122 121.820 121.820 119.390 2.430 17554 5842 1 10 . 1 1 122 122 ASP HA H 122 4.627 4.627 4.390 0.237 17554 5843 1 10 . 1 1 122 122 ASP CA C 122 54.443 54.443 53.212 1.231 17554 5844 1 10 . 1 1 122 122 ASP CB C 122 41.237 41.237 40.930 0.307 17554 5845 1 10 . 1 1 122 122 ASP H H 122 8.478 8.478 8.490 -0.012 17554 5846 1 10 . 1 1 123 123 SER N N 123 116.397 116.397 114.957 1.440 17554 5847 1 10 . 1 1 123 123 SER HA H 123 4.392 4.392 4.259 0.133 17554 5848 1 10 . 1 1 123 123 SER CA C 123 58.605 58.605 59.510 -0.905 17554 5849 1 10 . 1 1 123 123 SER CB C 123 64.064 64.064 63.406 0.658 17554 5850 1 10 . 1 1 123 123 SER H H 123 8.236 8.236 7.993 0.243 17554 5851 1 10 . 1 1 124 124 ASP N N 124 122.070 122.070 119.003 3.067 17554 5852 1 10 . 1 1 124 124 ASP HA H 124 4.599 4.599 4.498 0.101 17554 5853 1 10 . 1 1 124 124 ASP CA C 124 54.501 54.501 53.439 1.062 17554 5854 1 10 . 1 1 124 124 ASP CB C 124 41.106 41.106 42.168 -1.062 17554 5855 1 10 . 1 1 124 124 ASP H H 124 8.378 8.378 7.205 1.173 17554 5856 1 10 . 1 1 125 125 PHE N N 125 120.274 120.274 118.500 1.774 17554 5857 1 10 . 1 1 125 125 PHE HA H 125 4.623 4.623 4.728 -0.105 17554 5858 1 10 . 1 1 125 125 PHE CA C 125 57.913 57.913 57.785 0.128 17554 5859 1 10 . 1 1 125 125 PHE CB C 125 39.601 39.601 39.895 -0.294 17554 5860 1 10 . 1 1 125 125 PHE H H 125 8.049 8.049 8.262 -0.213 17554 5861 1 11 . 1 1 2 2 ILE N N 2 117.266 117.266 123.954 -6.688 17554 5862 1 11 . 1 1 2 2 ILE HA H 2 3.919 3.919 4.029 -0.110 17554 5863 1 11 . 1 1 2 2 ILE CA C 2 60.653 60.653 61.550 -0.896 17554 5864 1 11 . 1 1 2 2 ILE CB C 2 41.029 41.029 38.437 2.592 17554 5865 1 11 . 1 1 2 2 ILE H H 2 7.746 7.746 8.012 -0.266 17554 5866 1 11 . 1 1 3 3 ASP N N 3 125.895 125.895 130.233 -4.338 17554 5867 1 11 . 1 1 3 3 ASP HA H 3 4.606 4.606 4.558 0.048 17554 5868 1 11 . 1 1 3 3 ASP CA C 3 54.349 54.349 55.160 -0.812 17554 5869 1 11 . 1 1 3 3 ASP CB C 3 41.214 41.214 39.971 1.243 17554 5870 1 11 . 1 1 3 3 ASP H H 3 8.328 8.328 8.823 -0.495 17554 5871 1 11 . 1 1 4 4 GLU N N 4 128.620 128.620 123.389 5.231 17554 5872 1 11 . 1 1 4 4 GLU HA H 4 3.948 3.948 3.996 -0.048 17554 5873 1 11 . 1 1 4 4 GLU CA C 4 58.981 58.981 59.095 -0.114 17554 5874 1 11 . 1 1 4 4 GLU CB C 4 29.631 29.631 29.636 -0.005 17554 5875 1 11 . 1 1 4 4 GLU H H 4 8.991 8.991 8.192 0.799 17554 5876 1 11 . 1 1 5 5 SER N N 5 115.342 115.342 115.038 0.304 17554 5877 1 11 . 1 1 5 5 SER HA H 5 4.254 4.254 4.249 0.005 17554 5878 1 11 . 1 1 5 5 SER CA C 5 61.961 61.961 61.036 0.925 17554 5879 1 11 . 1 1 5 5 SER CB C 5 62.222 62.222 62.656 -0.434 17554 5880 1 11 . 1 1 5 5 SER H H 5 8.634 8.634 8.560 0.074 17554 5881 1 11 . 1 1 6 6 SER N N 6 119.418 119.418 118.064 1.354 17554 5882 1 11 . 1 1 6 6 SER HA H 6 4.354 4.354 4.452 -0.098 17554 5883 1 11 . 1 1 6 6 SER CA C 6 61.729 61.729 61.994 -0.265 17554 5884 1 11 . 1 1 6 6 SER CB C 6 63.366 63.366 63.153 0.213 17554 5885 1 11 . 1 1 6 6 SER H H 6 7.670 7.670 7.696 -0.026 17554 5886 1 11 . 1 1 7 7 VAL N N 7 120.774 120.774 122.964 -2.190 17554 5887 1 11 . 1 1 7 7 VAL HA H 7 3.234 3.234 3.868 -0.634 17554 5888 1 11 . 1 1 7 7 VAL CA C 7 67.151 67.151 65.286 1.865 17554 5889 1 11 . 1 1 7 7 VAL CB C 7 31.792 31.792 31.911 -0.119 17554 5890 1 11 . 1 1 7 7 VAL H H 7 7.286 7.286 7.493 -0.207 17554 5891 1 11 . 1 1 8 8 MET N N 8 116.159 116.159 117.782 -1.623 17554 5892 1 11 . 1 1 8 8 MET HA H 8 4.356 4.356 4.069 0.287 17554 5893 1 11 . 1 1 8 8 MET CA C 8 57.482 57.482 59.421 -1.939 17554 5894 1 11 . 1 1 8 8 MET CB C 8 31.341 31.341 32.284 -0.943 17554 5895 1 11 . 1 1 8 8 MET H H 8 8.244 8.244 8.228 0.016 17554 5896 1 11 . 1 1 9 9 GLN N N 9 119.708 119.708 120.505 -0.797 17554 5897 1 11 . 1 1 9 9 GLN HA H 9 4.101 4.101 4.392 -0.291 17554 5898 1 11 . 1 1 9 9 GLN CA C 9 59.331 59.331 58.426 0.905 17554 5899 1 11 . 1 1 9 9 GLN CB C 9 28.880 28.880 28.510 0.370 17554 5900 1 11 . 1 1 9 9 GLN H H 9 7.855 7.855 7.924 -0.069 17554 5901 1 11 . 1 1 10 10 LEU N N 10 118.986 118.986 120.024 -1.038 17554 5902 1 11 . 1 1 10 10 LEU HA H 10 4.463 4.463 4.183 0.280 17554 5903 1 11 . 1 1 10 10 LEU CA C 10 57.438 57.438 57.144 0.294 17554 5904 1 11 . 1 1 10 10 LEU CB C 10 42.943 42.943 41.826 1.117 17554 5905 1 11 . 1 1 10 10 LEU H H 10 7.432 7.432 7.829 -0.397 17554 5906 1 11 . 1 1 11 11 ALA N N 11 125.146 125.146 121.614 3.532 17554 5907 1 11 . 1 1 11 11 ALA HA H 11 4.411 4.411 4.387 0.024 17554 5908 1 11 . 1 1 11 11 ALA CA C 11 55.259 55.259 54.590 0.669 17554 5909 1 11 . 1 1 11 11 ALA CB C 11 17.734 17.734 18.465 -0.731 17554 5910 1 11 . 1 1 11 11 ALA H H 11 8.797 8.797 8.187 0.610 17554 5911 1 11 . 1 1 12 12 GLU N N 12 119.871 119.871 116.378 3.493 17554 5912 1 11 . 1 1 12 12 GLU HA H 12 4.117 4.117 4.128 -0.011 17554 5913 1 11 . 1 1 12 12 GLU CA C 12 58.473 58.473 58.871 -0.398 17554 5914 1 11 . 1 1 12 12 GLU CB C 12 29.531 29.531 30.115 -0.584 17554 5915 1 11 . 1 1 12 12 GLU H H 12 8.178 8.178 8.215 -0.037 17554 5916 1 11 . 1 1 13 13 MET N N 13 116.292 116.292 113.312 2.980 17554 5917 1 11 . 1 1 13 13 MET HA H 13 4.296 4.296 4.887 -0.591 17554 5918 1 11 . 1 1 13 13 MET CA C 13 56.797 56.797 56.141 0.656 17554 5919 1 11 . 1 1 13 13 MET CB C 13 33.221 33.221 34.612 -1.391 17554 5920 1 11 . 1 1 13 13 MET H H 13 7.619 7.619 7.787 -0.168 17554 5921 1 11 . 1 1 14 14 GLY N N 14 104.580 104.580 108.867 -4.287 17554 5922 1 11 . 1 1 14 14 GLY CA C 14 44.860 44.860 45.382 -0.522 17554 5923 1 11 . 1 1 14 14 GLY H H 14 7.873 7.873 7.871 0.002 17554 5924 1 11 . 1 1 15 15 PHE N N 15 118.802 118.802 117.938 0.864 17554 5925 1 11 . 1 1 15 15 PHE HA H 15 5.017 5.017 5.027 -0.010 17554 5926 1 11 . 1 1 15 15 PHE CA C 15 56.352 56.352 54.550 1.802 17554 5927 1 11 . 1 1 15 15 PHE CB C 15 39.395 39.395 41.320 -1.925 17554 5928 1 11 . 1 1 15 15 PHE H H 15 6.623 6.623 7.885 -1.262 17554 5929 1 11 . 1 1 16 16 PRO HA H 16 4.530 4.530 4.546 -0.016 17554 5930 1 11 . 1 1 16 16 PRO CA C 16 63.064 63.064 63.047 0.017 17554 5931 1 11 . 1 1 16 16 PRO CB C 16 32.293 32.293 30.682 1.611 17554 5932 1 11 . 1 1 17 17 LEU N N 17 128.389 128.389 126.977 1.412 17554 5933 1 11 . 1 1 17 17 LEU HA H 17 3.945 3.945 4.394 -0.449 17554 5934 1 11 . 1 1 17 17 LEU CA C 17 59.601 59.601 54.023 5.578 17554 5935 1 11 . 1 1 17 17 LEU CB C 17 42.248 42.248 39.298 2.950 17554 5936 1 11 . 1 1 17 17 LEU H H 17 9.041 9.041 8.237 0.804 17554 5937 1 11 . 1 1 18 18 GLU N N 18 114.837 114.837 125.116 -10.279 17554 5938 1 11 . 1 1 18 18 GLU HA H 18 4.067 4.067 3.988 0.079 17554 5939 1 11 . 1 1 18 18 GLU CA C 18 59.139 59.139 59.852 -0.713 17554 5940 1 11 . 1 1 18 18 GLU CB C 18 28.874 28.874 29.707 -0.833 17554 5941 1 11 . 1 1 18 18 GLU H H 18 9.267 9.267 8.424 0.843 17554 5942 1 11 . 1 1 19 19 ALA N N 19 119.137 119.137 121.325 -2.188 17554 5943 1 11 . 1 1 19 19 ALA HA H 19 3.918 3.918 4.112 -0.194 17554 5944 1 11 . 1 1 19 19 ALA CA C 19 54.872 54.872 55.245 -0.373 17554 5945 1 11 . 1 1 19 19 ALA CB C 19 17.972 17.972 18.008 -0.036 17554 5946 1 11 . 1 1 19 19 ALA H H 19 6.838 6.838 8.640 -1.802 17554 5947 1 11 . 1 1 20 20 CYS N N 20 116.877 116.877 117.653 -0.776 17554 5948 1 11 . 1 1 20 20 CYS HA H 20 3.891 3.891 4.273 -0.382 17554 5949 1 11 . 1 1 20 20 CYS CA C 20 63.356 63.356 60.958 2.398 17554 5950 1 11 . 1 1 20 20 CYS CB C 20 28.018 28.018 26.514 1.504 17554 5951 1 11 . 1 1 20 20 CYS H H 20 7.610 7.610 8.258 -0.648 17554 5952 1 11 . 1 1 21 21 ARG N N 21 117.434 117.434 120.947 -3.513 17554 5953 1 11 . 1 1 21 21 ARG HA H 21 3.696 3.696 3.925 -0.229 17554 5954 1 11 . 1 1 21 21 ARG CA C 21 60.192 60.192 59.544 0.648 17554 5955 1 11 . 1 1 21 21 ARG CB C 21 30.175 30.175 29.860 0.315 17554 5956 1 11 . 1 1 21 21 ARG H H 21 7.965 7.965 7.661 0.304 17554 5957 1 11 . 1 1 22 22 LYS N N 22 117.667 117.667 118.487 -0.820 17554 5958 1 11 . 1 1 22 22 LYS HA H 22 3.412 3.412 4.113 -0.701 17554 5959 1 11 . 1 1 22 22 LYS CA C 22 60.181 60.181 59.086 1.095 17554 5960 1 11 . 1 1 22 22 LYS CB C 22 32.085 32.085 32.267 -0.182 17554 5961 1 11 . 1 1 22 22 LYS H H 22 7.392 7.392 7.763 -0.371 17554 5962 1 11 . 1 1 23 23 ALA N N 23 120.670 120.670 123.210 -2.540 17554 5963 1 11 . 1 1 23 23 ALA HA H 23 3.015 3.015 3.410 -0.395 17554 5964 1 11 . 1 1 23 23 ALA CA C 23 54.845 54.845 54.790 0.055 17554 5965 1 11 . 1 1 23 23 ALA CB C 23 19.900 19.900 17.690 2.210 17554 5966 1 11 . 1 1 23 23 ALA H H 23 8.043 8.043 8.005 0.038 17554 5967 1 11 . 1 1 24 24 VAL N N 24 117.629 117.629 119.359 -1.730 17554 5968 1 11 . 1 1 24 24 VAL HA H 24 3.510 3.510 3.705 -0.195 17554 5969 1 11 . 1 1 24 24 VAL CA C 24 65.665 65.665 66.526 -0.861 17554 5970 1 11 . 1 1 24 24 VAL CB C 24 32.009 32.009 31.796 0.213 17554 5971 1 11 . 1 1 24 24 VAL H H 24 7.381 7.381 8.602 -1.221 17554 5972 1 11 . 1 1 25 25 TYR N N 25 120.392 120.392 121.554 -1.162 17554 5973 1 11 . 1 1 25 25 TYR HA H 25 3.860 3.860 4.094 -0.234 17554 5974 1 11 . 1 1 25 25 TYR CA C 25 62.098 62.098 61.318 0.780 17554 5975 1 11 . 1 1 25 25 TYR CB C 25 38.735 38.735 38.662 0.073 17554 5976 1 11 . 1 1 25 25 TYR H H 25 8.029 8.029 7.670 0.359 17554 5977 1 11 . 1 1 26 26 PHE N N 26 116.460 116.460 118.669 -2.209 17554 5978 1 11 . 1 1 26 26 PHE HA H 26 4.181 4.181 4.021 0.160 17554 5979 1 11 . 1 1 26 26 PHE CA C 26 60.345 60.345 60.525 -0.180 17554 5980 1 11 . 1 1 26 26 PHE CB C 26 37.917 37.917 39.434 -1.517 17554 5981 1 11 . 1 1 26 26 PHE H H 26 9.102 9.102 8.357 0.745 17554 5982 1 11 . 1 1 27 27 THR N N 27 106.212 106.212 109.787 -3.575 17554 5983 1 11 . 1 1 27 27 THR HA H 27 4.477 4.477 3.985 0.492 17554 5984 1 11 . 1 1 27 27 THR CA C 27 61.195 61.195 63.238 -2.043 17554 5985 1 11 . 1 1 27 27 THR CB C 27 69.061 69.061 69.076 -0.015 17554 5986 1 11 . 1 1 27 27 THR H H 27 7.050 7.050 8.135 -1.085 17554 5987 1 11 . 1 1 28 28 GLY N N 28 107.275 107.275 110.120 -2.845 17554 5988 1 11 . 1 1 28 28 GLY CA C 28 46.575 46.575 44.998 1.577 17554 5989 1 11 . 1 1 28 28 GLY H H 28 7.278 7.278 7.405 -0.127 17554 5990 1 11 . 1 1 29 29 ASN N N 29 118.189 118.189 113.556 4.633 17554 5991 1 11 . 1 1 29 29 ASN HA H 29 4.342 4.342 4.223 0.119 17554 5992 1 11 . 1 1 29 29 ASN CA C 29 53.614 53.614 53.949 -0.335 17554 5993 1 11 . 1 1 29 29 ASN CB C 29 37.302 37.302 37.295 0.007 17554 5994 1 11 . 1 1 29 29 ASN H H 29 8.704 8.704 8.442 0.262 17554 5995 1 11 . 1 1 30 30 MET N N 30 119.241 119.241 117.566 1.675 17554 5996 1 11 . 1 1 30 30 MET HA H 30 4.791 4.791 4.322 0.469 17554 5997 1 11 . 1 1 30 30 MET CA C 30 53.943 53.943 57.263 -3.320 17554 5998 1 11 . 1 1 30 30 MET CB C 30 33.263 33.263 33.162 0.101 17554 5999 1 11 . 1 1 30 30 MET H H 30 8.921 8.921 7.939 0.982 17554 6000 1 11 . 1 1 31 31 GLY N N 31 109.623 109.623 101.881 7.742 17554 6001 1 11 . 1 1 31 31 GLY CA C 31 44.151 44.151 44.978 -0.827 17554 6002 1 11 . 1 1 31 31 GLY H H 31 8.349 8.349 7.377 0.972 17554 6003 1 11 . 1 1 32 32 ALA N N 32 121.096 121.096 122.744 -1.648 17554 6004 1 11 . 1 1 32 32 ALA HA H 32 3.980 3.980 4.306 -0.326 17554 6005 1 11 . 1 1 32 32 ALA CA C 32 55.192 55.192 54.312 0.880 17554 6006 1 11 . 1 1 32 32 ALA CB C 32 19.058 19.058 19.131 -0.073 17554 6007 1 11 . 1 1 32 32 ALA H H 32 8.899 8.899 8.595 0.304 17554 6008 1 11 . 1 1 33 33 GLU N N 33 119.428 119.428 117.481 1.947 17554 6009 1 11 . 1 1 33 33 GLU HA H 33 4.095 4.095 4.323 -0.228 17554 6010 1 11 . 1 1 33 33 GLU CA C 33 60.864 60.864 59.172 1.692 17554 6011 1 11 . 1 1 33 33 GLU CB C 33 28.661 28.661 28.826 -0.165 17554 6012 1 11 . 1 1 33 33 GLU H H 33 8.705 8.705 8.979 -0.274 17554 6013 1 11 . 1 1 34 34 VAL N N 34 117.216 117.216 120.703 -3.487 17554 6014 1 11 . 1 1 34 34 VAL HA H 34 4.062 4.062 3.857 0.205 17554 6015 1 11 . 1 1 34 34 VAL CA C 34 65.178 65.178 66.625 -1.447 17554 6016 1 11 . 1 1 34 34 VAL CB C 34 31.684 31.684 31.362 0.322 17554 6017 1 11 . 1 1 34 34 VAL H H 34 8.178 8.178 7.837 0.341 17554 6018 1 11 . 1 1 35 35 ALA N N 35 123.635 123.635 121.994 1.641 17554 6019 1 11 . 1 1 35 35 ALA HA H 35 4.289 4.289 4.276 0.013 17554 6020 1 11 . 1 1 35 35 ALA CA C 35 54.787 54.787 54.823 -0.036 17554 6021 1 11 . 1 1 35 35 ALA CB C 35 19.794 19.794 18.310 1.484 17554 6022 1 11 . 1 1 35 35 ALA H H 35 7.178 7.178 7.656 -0.478 17554 6023 1 11 . 1 1 36 36 PHE N N 36 120.976 120.976 120.354 0.622 17554 6024 1 11 . 1 1 36 36 PHE HA H 36 4.079 4.079 4.100 -0.021 17554 6025 1 11 . 1 1 36 36 PHE CA C 36 61.339 61.339 61.596 -0.258 17554 6026 1 11 . 1 1 36 36 PHE CB C 36 38.952 38.952 39.031 -0.078 17554 6027 1 11 . 1 1 36 36 PHE H H 36 8.832 8.832 8.202 0.630 17554 6028 1 11 . 1 1 37 37 ASN N N 37 114.823 114.823 117.648 -2.825 17554 6029 1 11 . 1 1 37 37 ASN HA H 37 4.318 4.318 4.119 0.199 17554 6030 1 11 . 1 1 37 37 ASN CA C 37 56.379 56.379 57.097 -0.718 17554 6031 1 11 . 1 1 37 37 ASN CB C 37 38.288 38.288 38.361 -0.073 17554 6032 1 11 . 1 1 37 37 ASN H H 37 7.591 7.591 8.573 -0.982 17554 6033 1 11 . 1 1 38 38 TRP N N 38 119.984 119.984 122.443 -2.459 17554 6034 1 11 . 1 1 38 38 TRP HA H 38 4.191 4.191 4.419 -0.228 17554 6035 1 11 . 1 1 38 38 TRP CA C 38 62.279 62.279 61.625 0.654 17554 6036 1 11 . 1 1 38 38 TRP CB C 38 30.545 30.545 29.529 1.016 17554 6037 1 11 . 1 1 38 38 TRP H H 38 7.630 7.630 8.004 -0.374 17554 6038 1 11 . 1 1 39 39 ILE N N 39 121.183 121.183 119.747 1.436 17554 6039 1 11 . 1 1 39 39 ILE HA H 39 3.647 3.647 3.854 -0.207 17554 6040 1 11 . 1 1 39 39 ILE CA C 39 65.651 65.651 64.416 1.235 17554 6041 1 11 . 1 1 39 39 ILE CB C 39 36.375 36.375 38.250 -1.875 17554 6042 1 11 . 1 1 39 39 ILE H H 39 8.017 8.017 8.226 -0.209 17554 6043 1 11 . 1 1 40 40 ILE N N 40 115.084 115.084 117.109 -2.025 17554 6044 1 11 . 1 1 40 40 ILE HA H 40 3.665 3.665 3.686 -0.021 17554 6045 1 11 . 1 1 40 40 ILE CA C 40 63.224 63.224 64.155 -0.931 17554 6046 1 11 . 1 1 40 40 ILE CB C 40 36.681 36.681 37.237 -0.556 17554 6047 1 11 . 1 1 40 40 ILE H H 40 7.474 7.474 7.728 -0.254 17554 6048 1 11 . 1 1 41 41 VAL N N 41 116.045 116.045 118.782 -2.737 17554 6049 1 11 . 1 1 41 41 VAL HA H 41 3.661 3.661 3.566 0.095 17554 6050 1 11 . 1 1 41 41 VAL CA C 41 64.452 64.452 65.661 -1.209 17554 6051 1 11 . 1 1 41 41 VAL CB C 41 32.156 32.156 31.723 0.433 17554 6052 1 11 . 1 1 41 41 VAL H H 41 7.054 7.054 7.725 -0.671 17554 6053 1 11 . 1 1 42 42 HIS N N 42 115.595 115.595 116.926 -1.331 17554 6054 1 11 . 1 1 42 42 HIS HA H 42 4.098 4.098 4.567 -0.469 17554 6055 1 11 . 1 1 42 42 HIS CA C 42 57.365 57.365 55.541 1.824 17554 6056 1 11 . 1 1 42 42 HIS CB C 42 28.251 28.251 28.023 0.228 17554 6057 1 11 . 1 1 42 42 HIS H H 42 7.353 7.353 7.631 -0.278 17554 6058 1 11 . 1 1 43 43 MET N N 43 117.495 117.495 117.795 -0.300 17554 6059 1 11 . 1 1 43 43 MET HA H 43 2.064 2.064 3.696 -1.632 17554 6060 1 11 . 1 1 43 43 MET CA C 43 57.980 57.980 57.819 0.161 17554 6061 1 11 . 1 1 43 43 MET CB C 43 32.258 32.258 31.849 0.409 17554 6062 1 11 . 1 1 43 43 MET H H 43 7.373 7.373 7.466 -0.093 17554 6063 1 11 . 1 1 44 44 GLU N N 44 116.844 116.844 116.481 0.363 17554 6064 1 11 . 1 1 44 44 GLU HA H 44 4.346 4.346 4.134 0.212 17554 6065 1 11 . 1 1 44 44 GLU CA C 44 55.838 55.838 55.794 0.044 17554 6066 1 11 . 1 1 44 44 GLU CB C 44 29.351 29.351 29.105 0.246 17554 6067 1 11 . 1 1 44 44 GLU H H 44 8.102 8.102 7.792 0.310 17554 6068 1 11 . 1 1 45 45 GLU N N 45 121.925 121.925 121.365 0.560 17554 6069 1 11 . 1 1 45 45 GLU HA H 45 4.426 4.426 4.501 -0.075 17554 6070 1 11 . 1 1 45 45 GLU CA C 45 55.141 55.141 53.155 1.986 17554 6071 1 11 . 1 1 45 45 GLU CB C 45 28.513 28.513 29.138 -0.625 17554 6072 1 11 . 1 1 45 45 GLU H H 45 7.853 7.853 7.300 0.553 17554 6073 1 11 . 1 1 46 46 PRO HA H 46 4.440 4.440 4.355 0.085 17554 6074 1 11 . 1 1 46 46 PRO CA C 46 65.070 65.070 65.165 -0.095 17554 6075 1 11 . 1 1 46 46 PRO CB C 46 31.850 31.850 32.060 -0.210 17554 6076 1 11 . 1 1 47 47 ASP N N 47 115.051 115.051 116.482 -1.431 17554 6077 1 11 . 1 1 47 47 ASP HA H 47 4.686 4.686 4.736 -0.050 17554 6078 1 11 . 1 1 47 47 ASP CA C 47 52.841 52.841 52.768 0.073 17554 6079 1 11 . 1 1 47 47 ASP CB C 47 39.711 39.711 41.005 -1.294 17554 6080 1 11 . 1 1 47 47 ASP H H 47 8.437 8.437 8.511 -0.074 17554 6081 1 11 . 1 1 48 48 PHE N N 48 122.693 122.693 119.004 3.689 17554 6082 1 11 . 1 1 48 48 PHE HA H 48 4.522 4.522 4.347 0.175 17554 6083 1 11 . 1 1 48 48 PHE CA C 48 60.887 60.887 58.293 2.594 17554 6084 1 11 . 1 1 48 48 PHE CB C 48 40.495 40.495 38.940 1.555 17554 6085 1 11 . 1 1 48 48 PHE H H 48 7.695 7.695 7.786 -0.091 17554 6086 1 11 . 1 1 49 49 ALA N N 49 117.185 117.185 120.446 -3.261 17554 6087 1 11 . 1 1 49 49 ALA HA H 49 4.099 4.099 4.199 -0.100 17554 6088 1 11 . 1 1 49 49 ALA CA C 49 51.211 51.211 51.143 0.068 17554 6089 1 11 . 1 1 49 49 ALA CB C 49 19.067 19.067 19.951 -0.885 17554 6090 1 11 . 1 1 49 49 ALA H H 49 8.643 8.643 6.836 1.807 17554 6091 1 11 . 1 1 50 50 GLU N N 50 119.707 119.707 123.657 -3.950 17554 6092 1 11 . 1 1 50 50 GLU HA H 50 4.412 4.412 4.257 0.155 17554 6093 1 11 . 1 1 50 50 GLU CA C 50 54.755 54.755 54.822 -0.066 17554 6094 1 11 . 1 1 50 50 GLU CB C 50 29.274 29.274 29.515 -0.240 17554 6095 1 11 . 1 1 50 50 GLU H H 50 7.412 7.412 8.364 -0.952 17554 6096 1 11 . 1 1 51 51 PRO HA H 51 4.315 4.315 4.534 -0.219 17554 6097 1 11 . 1 1 51 51 PRO CA C 51 62.863 62.863 62.322 0.541 17554 6098 1 11 . 1 1 51 51 PRO CB C 51 32.408 32.408 30.706 1.702 17554 6099 1 11 . 1 1 52 52 LEU N N 52 123.507 123.507 121.771 1.736 17554 6100 1 11 . 1 1 52 52 LEU HA H 52 4.210 4.210 4.641 -0.431 17554 6101 1 11 . 1 1 52 52 LEU CA C 52 55.217 55.217 55.754 -0.537 17554 6102 1 11 . 1 1 52 52 LEU CB C 52 42.918 42.918 42.278 0.640 17554 6103 1 11 . 1 1 52 52 LEU H H 52 8.475 8.475 7.634 0.841 17554 6104 1 11 . 1 1 53 53 THR N N 53 119.005 119.005 114.425 4.580 17554 6105 1 11 . 1 1 53 53 THR HA H 53 4.292 4.292 4.398 -0.106 17554 6106 1 11 . 1 1 53 53 THR CA C 53 61.478 61.478 63.000 -1.522 17554 6107 1 11 . 1 1 53 53 THR CB C 53 69.752 69.752 68.773 0.979 17554 6108 1 11 . 1 1 53 53 THR H H 53 8.371 8.371 7.922 0.449 17554 6109 1 11 . 1 1 54 54 MET N N 54 124.439 124.439 122.993 1.446 17554 6110 1 11 . 1 1 54 54 MET HA H 54 4.651 4.651 4.803 -0.152 17554 6111 1 11 . 1 1 54 54 MET CA C 54 53.235 53.235 54.344 -1.109 17554 6112 1 11 . 1 1 54 54 MET CB C 54 32.605 32.605 33.233 -0.628 17554 6113 1 11 . 1 1 54 54 MET H H 54 8.264 8.264 8.171 0.093 17554 6114 1 11 . 1 1 55 55 PRO HA H 55 4.368 4.368 4.731 -0.363 17554 6115 1 11 . 1 1 55 55 PRO CA C 55 63.668 63.668 62.318 1.351 17554 6116 1 11 . 1 1 55 55 PRO CB C 55 32.038 32.038 33.087 -1.049 17554 6117 1 11 . 1 1 56 56 GLY N N 56 109.663 109.663 108.563 1.100 17554 6118 1 11 . 1 1 56 56 GLY CA C 56 45.314 45.314 44.760 0.554 17554 6119 1 11 . 1 1 56 56 GLY H H 56 8.461 8.461 8.269 0.192 17554 6120 1 11 . 1 1 57 57 TYR N N 57 120.317 120.317 123.373 -3.056 17554 6121 1 11 . 1 1 57 57 TYR HA H 57 4.528 4.528 4.509 0.019 17554 6122 1 11 . 1 1 57 57 TYR CA C 57 58.132 58.132 55.518 2.614 17554 6123 1 11 . 1 1 57 57 TYR CB C 57 38.958 38.958 38.234 0.724 17554 6124 1 11 . 1 1 57 57 TYR H H 57 8.033 8.033 8.101 -0.068 17554 6125 1 11 . 1 1 58 58 GLY N N 58 111.694 111.694 112.164 -0.470 17554 6126 1 11 . 1 1 58 58 GLY CA C 58 45.489 45.489 45.133 0.356 17554 6127 1 11 . 1 1 58 58 GLY H H 58 8.423 8.423 8.994 -0.571 17554 6128 1 11 . 1 1 59 59 GLY N N 59 108.403 108.403 108.691 -0.288 17554 6129 1 11 . 1 1 59 59 GLY CA C 59 45.210 45.210 45.118 0.092 17554 6130 1 11 . 1 1 59 59 GLY H H 59 7.871 7.871 7.681 0.190 17554 6131 1 11 . 1 1 60 60 ALA N N 60 123.835 123.835 124.691 -0.856 17554 6132 1 11 . 1 1 60 60 ALA HA H 60 4.294 4.294 4.334 -0.040 17554 6133 1 11 . 1 1 60 60 ALA CA C 60 52.710 52.710 52.310 0.399 17554 6134 1 11 . 1 1 60 60 ALA CB C 60 19.353 19.353 19.436 -0.083 17554 6135 1 11 . 1 1 60 60 ALA H H 60 8.207 8.207 8.129 0.078 17554 6136 1 11 . 1 1 61 61 ALA N N 61 123.032 123.032 122.287 0.745 17554 6137 1 11 . 1 1 61 61 ALA HA H 61 4.316 4.316 4.709 -0.393 17554 6138 1 11 . 1 1 61 61 ALA CA C 61 52.751 52.751 51.574 1.177 17554 6139 1 11 . 1 1 61 61 ALA CB C 61 19.096 19.096 20.596 -1.500 17554 6140 1 11 . 1 1 61 61 ALA H H 61 8.331 8.331 7.776 0.555 17554 6141 1 11 . 1 1 62 62 SER N N 62 114.625 114.625 116.615 -1.990 17554 6142 1 11 . 1 1 62 62 SER HA H 62 4.406 4.406 4.514 -0.108 17554 6143 1 11 . 1 1 62 62 SER CA C 62 58.283 58.283 57.941 0.342 17554 6144 1 11 . 1 1 62 62 SER CB C 62 63.858 63.858 63.471 0.387 17554 6145 1 11 . 1 1 62 62 SER H H 62 8.158 8.158 8.527 -0.369 17554 6146 1 11 . 1 1 63 63 ALA N N 63 125.890 125.890 129.405 -3.515 17554 6147 1 11 . 1 1 63 63 ALA HA H 63 4.314 4.314 4.658 -0.344 17554 6148 1 11 . 1 1 63 63 ALA CA C 63 52.926 52.926 52.068 0.858 17554 6149 1 11 . 1 1 63 63 ALA CB C 63 19.216 19.216 18.599 0.617 17554 6150 1 11 . 1 1 63 63 ALA H H 63 8.294 8.294 8.744 -0.450 17554 6151 1 11 . 1 1 64 64 GLY N N 64 107.980 107.980 109.005 -1.025 17554 6152 1 11 . 1 1 64 64 GLY CA C 64 45.324 45.324 45.740 -0.416 17554 6153 1 11 . 1 1 64 64 GLY H H 64 8.321 8.321 8.646 -0.325 17554 6154 1 11 . 1 1 65 65 ALA N N 65 123.524 123.524 124.604 -1.080 17554 6155 1 11 . 1 1 65 65 ALA HA H 65 4.330 4.330 4.696 -0.366 17554 6156 1 11 . 1 1 65 65 ALA CA C 65 52.589 52.589 51.299 1.290 17554 6157 1 11 . 1 1 65 65 ALA CB C 65 19.438 19.438 19.645 -0.207 17554 6158 1 11 . 1 1 65 65 ALA H H 65 8.088 8.088 7.859 0.229 17554 6159 1 11 . 1 1 66 66 SER N N 66 115.072 115.072 120.676 -5.604 17554 6160 1 11 . 1 1 66 66 SER HA H 66 4.442 4.442 4.519 -0.077 17554 6161 1 11 . 1 1 66 66 SER CA C 66 58.334 58.334 58.306 0.028 17554 6162 1 11 . 1 1 66 66 SER CB C 66 63.804 63.804 62.288 1.516 17554 6163 1 11 . 1 1 66 66 SER H H 66 8.297 8.297 8.782 -0.485 17554 6164 1 11 . 1 1 67 67 VAL N N 67 121.228 121.228 124.799 -3.571 17554 6165 1 11 . 1 1 67 67 VAL HA H 67 4.075 4.075 3.999 0.076 17554 6166 1 11 . 1 1 67 67 VAL CA C 67 62.417 62.417 62.899 -0.482 17554 6167 1 11 . 1 1 67 67 VAL CB C 67 32.611 32.611 32.197 0.414 17554 6168 1 11 . 1 1 67 67 VAL H H 67 8.007 8.007 8.094 -0.087 17554 6169 1 11 . 1 1 68 68 PHE N N 68 123.068 123.068 119.106 3.962 17554 6170 1 11 . 1 1 68 68 PHE HA H 68 4.618 4.618 4.337 0.281 17554 6171 1 11 . 1 1 68 68 PHE CA C 68 57.981 57.981 57.581 0.400 17554 6172 1 11 . 1 1 68 68 PHE CB C 68 39.618 39.618 38.916 0.702 17554 6173 1 11 . 1 1 68 68 PHE H H 68 8.255 8.255 8.079 0.176 17554 6174 1 11 . 1 1 69 69 GLY N N 69 110.709 110.709 113.135 -2.426 17554 6175 1 11 . 1 1 69 69 GLY CA C 69 45.339 45.339 44.601 0.738 17554 6176 1 11 . 1 1 69 69 GLY H H 69 8.234 8.234 8.389 -0.155 17554 6177 1 11 . 1 1 70 70 ALA N N 70 123.857 123.857 128.954 -5.097 17554 6178 1 11 . 1 1 70 70 ALA HA H 70 4.348 4.348 4.462 -0.114 17554 6179 1 11 . 1 1 70 70 ALA CA C 70 52.626 52.626 51.198 1.428 17554 6180 1 11 . 1 1 70 70 ALA CB C 70 19.386 19.386 17.922 1.464 17554 6181 1 11 . 1 1 70 70 ALA H H 70 8.140 8.140 7.819 0.321 17554 6182 1 11 . 1 1 71 71 SER N N 71 115.019 115.019 116.561 -1.542 17554 6183 1 11 . 1 1 71 71 SER HA H 71 4.441 4.441 4.289 0.152 17554 6184 1 11 . 1 1 71 71 SER CA C 71 58.592 58.592 60.330 -1.738 17554 6185 1 11 . 1 1 71 71 SER CB C 71 63.975 63.975 63.490 0.485 17554 6186 1 11 . 1 1 71 71 SER H H 71 8.379 8.379 7.909 0.470 17554 6187 1 11 . 1 1 72 72 GLY N N 72 110.640 110.640 108.127 2.513 17554 6188 1 11 . 1 1 72 72 GLY CA C 72 45.546 45.546 44.627 0.919 17554 6189 1 11 . 1 1 72 72 GLY H H 72 8.395 8.395 8.179 0.216 17554 6190 1 11 . 1 1 73 73 LEU N N 73 121.191 121.191 120.499 0.692 17554 6191 1 11 . 1 1 73 73 LEU HA H 73 4.319 4.319 3.964 0.355 17554 6192 1 11 . 1 1 73 73 LEU CA C 73 55.292 55.292 56.977 -1.685 17554 6193 1 11 . 1 1 73 73 LEU CB C 73 42.355 42.355 41.206 1.149 17554 6194 1 11 . 1 1 73 73 LEU H H 73 8.088 8.088 8.046 0.042 17554 6195 1 11 . 1 1 74 74 ASP N N 74 120.099 120.099 118.281 1.818 17554 6196 1 11 . 1 1 74 74 ASP HA H 74 4.549 4.549 4.773 -0.224 17554 6197 1 11 . 1 1 74 74 ASP CA C 74 54.451 54.451 53.616 0.835 17554 6198 1 11 . 1 1 74 74 ASP CB C 74 41.071 41.071 43.402 -2.331 17554 6199 1 11 . 1 1 74 74 ASP H H 74 8.312 8.312 8.405 -0.093 17554 6200 1 11 . 1 1 75 75 ASN N N 75 118.544 118.544 119.746 -1.202 17554 6201 1 11 . 1 1 75 75 ASN HA H 75 4.627 4.627 4.774 -0.147 17554 6202 1 11 . 1 1 75 75 ASN CA C 75 53.043 53.043 52.830 0.213 17554 6203 1 11 . 1 1 75 75 ASN CB C 75 38.723 38.723 39.064 -0.341 17554 6204 1 11 . 1 1 75 75 ASN H H 75 8.254 8.254 8.585 -0.331 17554 6205 1 11 . 1 1 76 76 GLN N N 76 121.475 121.475 120.612 0.863 17554 6206 1 11 . 1 1 76 76 GLN HA H 76 4.527 4.527 4.496 0.031 17554 6207 1 11 . 1 1 76 76 GLN CA C 76 53.613 53.613 53.931 -0.318 17554 6208 1 11 . 1 1 76 76 GLN CB C 76 28.697 28.697 29.544 -0.848 17554 6209 1 11 . 1 1 76 76 GLN H H 76 8.228 8.228 7.937 0.291 17554 6210 1 11 . 1 1 77 77 PRO HA H 77 4.566 4.566 4.722 -0.156 17554 6211 1 11 . 1 1 77 77 PRO CA C 77 61.219 61.219 61.890 -0.671 17554 6212 1 11 . 1 1 77 77 PRO CB C 77 31.453 31.453 31.351 0.102 17554 6213 1 11 . 1 1 78 78 PRO HA H 78 4.449 4.449 4.442 0.007 17554 6214 1 11 . 1 1 78 78 PRO CA C 78 62.743 62.743 63.038 -0.295 17554 6215 1 11 . 1 1 78 78 PRO CB C 78 32.168 32.168 31.845 0.324 17554 6216 1 11 . 1 1 79 79 GLU N N 79 127.716 127.716 126.768 0.948 17554 6217 1 11 . 1 1 79 79 GLU HA H 79 3.843 3.843 3.853 -0.010 17554 6218 1 11 . 1 1 79 79 GLU CA C 79 59.074 59.074 59.830 -0.756 17554 6219 1 11 . 1 1 79 79 GLU CB C 79 28.921 28.921 28.875 0.046 17554 6220 1 11 . 1 1 79 79 GLU H H 79 9.073 9.073 8.930 0.143 17554 6221 1 11 . 1 1 80 80 GLU N N 80 117.579 117.579 120.363 -2.784 17554 6222 1 11 . 1 1 80 80 GLU HA H 80 4.120 4.120 4.110 0.010 17554 6223 1 11 . 1 1 80 80 GLU CA C 80 59.468 59.468 59.153 0.315 17554 6224 1 11 . 1 1 80 80 GLU CB C 80 28.680 28.680 29.152 -0.472 17554 6225 1 11 . 1 1 80 80 GLU H H 80 9.604 9.604 8.777 0.827 17554 6226 1 11 . 1 1 81 81 ILE N N 81 117.488 117.488 119.794 -2.306 17554 6227 1 11 . 1 1 81 81 ILE HA H 81 4.068 4.068 3.867 0.201 17554 6228 1 11 . 1 1 81 81 ILE CA C 81 63.261 63.261 64.388 -1.127 17554 6229 1 11 . 1 1 81 81 ILE CB C 81 37.248 37.248 38.361 -1.113 17554 6230 1 11 . 1 1 81 81 ILE H H 81 7.172 7.172 7.601 -0.429 17554 6231 1 11 . 1 1 82 82 VAL N N 82 121.739 121.739 118.394 3.345 17554 6232 1 11 . 1 1 82 82 VAL HA H 82 3.143 3.143 3.660 -0.517 17554 6233 1 11 . 1 1 82 82 VAL CA C 82 67.507 67.507 66.576 0.931 17554 6234 1 11 . 1 1 82 82 VAL CB C 82 31.816 31.816 31.238 0.578 17554 6235 1 11 . 1 1 82 82 VAL H H 82 7.591 7.591 8.645 -1.054 17554 6236 1 11 . 1 1 83 83 ALA N N 83 118.311 118.311 123.104 -4.793 17554 6237 1 11 . 1 1 83 83 ALA HA H 83 4.341 4.341 4.022 0.319 17554 6238 1 11 . 1 1 83 83 ALA CA C 83 54.186 54.186 55.130 -0.944 17554 6239 1 11 . 1 1 83 83 ALA CB C 83 18.026 18.026 18.177 -0.151 17554 6240 1 11 . 1 1 83 83 ALA H H 83 8.260 8.260 7.781 0.479 17554 6241 1 11 . 1 1 84 84 ILE N N 84 119.780 119.780 119.923 -0.143 17554 6242 1 11 . 1 1 84 84 ILE HA H 84 3.737 3.737 3.594 0.143 17554 6243 1 11 . 1 1 84 84 ILE CA C 84 65.095 65.095 65.569 -0.473 17554 6244 1 11 . 1 1 84 84 ILE CB C 84 38.070 38.070 38.005 0.065 17554 6245 1 11 . 1 1 84 84 ILE H H 84 7.298 7.298 7.793 -0.495 17554 6246 1 11 . 1 1 85 85 ILE N N 85 119.424 119.424 119.124 0.300 17554 6247 1 11 . 1 1 85 85 ILE HA H 85 3.884 3.884 3.747 0.137 17554 6248 1 11 . 1 1 85 85 ILE CA C 85 66.207 66.207 65.929 0.278 17554 6249 1 11 . 1 1 85 85 ILE CB C 85 38.043 38.043 37.942 0.101 17554 6250 1 11 . 1 1 85 85 ILE H H 85 7.426 7.426 8.622 -1.196 17554 6251 1 11 . 1 1 86 86 THR N N 86 112.538 112.538 114.333 -1.795 17554 6252 1 11 . 1 1 86 86 THR HA H 86 4.669 4.669 4.301 0.368 17554 6253 1 11 . 1 1 86 86 THR CA C 86 64.995 64.995 65.213 -0.218 17554 6254 1 11 . 1 1 86 86 THR CB C 86 68.293 68.293 68.505 -0.212 17554 6255 1 11 . 1 1 86 86 THR H H 86 9.097 9.097 8.252 0.845 17554 6256 1 11 . 1 1 87 87 SER N N 87 120.681 120.681 116.724 3.957 17554 6257 1 11 . 1 1 87 87 SER HA H 87 4.397 4.397 4.311 0.086 17554 6258 1 11 . 1 1 87 87 SER CA C 87 61.715 61.715 60.689 1.026 17554 6259 1 11 . 1 1 87 87 SER CB C 87 62.804 62.804 63.069 -0.265 17554 6260 1 11 . 1 1 87 87 SER H H 87 8.250 8.250 8.234 0.016 17554 6261 1 11 . 1 1 88 88 MET N N 88 119.753 119.753 118.429 1.324 17554 6262 1 11 . 1 1 88 88 MET HA H 88 4.399 4.399 4.338 0.061 17554 6263 1 11 . 1 1 88 88 MET CA C 88 56.596 56.596 55.497 1.099 17554 6264 1 11 . 1 1 88 88 MET CB C 88 33.330 33.330 32.745 0.585 17554 6265 1 11 . 1 1 88 88 MET H H 88 7.550 7.550 7.711 -0.161 17554 6266 1 11 . 1 1 89 89 GLY N N 89 105.282 105.282 103.629 1.653 17554 6267 1 11 . 1 1 89 89 GLY CA C 89 44.767 44.767 44.560 0.207 17554 6268 1 11 . 1 1 89 89 GLY H H 89 7.866 7.866 7.421 0.445 17554 6269 1 11 . 1 1 90 90 PHE N N 90 118.182 118.182 119.285 -1.103 17554 6270 1 11 . 1 1 90 90 PHE HA H 90 4.721 4.721 4.823 -0.102 17554 6271 1 11 . 1 1 90 90 PHE CA C 90 57.670 57.670 56.230 1.440 17554 6272 1 11 . 1 1 90 90 PHE CB C 90 39.706 39.706 41.163 -1.457 17554 6273 1 11 . 1 1 90 90 PHE H H 90 6.675 6.675 7.477 -0.802 17554 6274 1 11 . 1 1 91 91 GLN N N 91 118.581 118.581 118.545 0.036 17554 6275 1 11 . 1 1 91 91 GLN HA H 91 4.356 4.356 4.624 -0.268 17554 6276 1 11 . 1 1 91 91 GLN CA C 91 55.485 55.485 54.612 0.873 17554 6277 1 11 . 1 1 91 91 GLN CB C 91 29.969 29.969 31.437 -1.468 17554 6278 1 11 . 1 1 91 91 GLN H H 91 8.854 8.854 8.476 0.378 17554 6279 1 11 . 1 1 92 92 ARG N N 92 124.037 124.037 127.868 -3.831 17554 6280 1 11 . 1 1 92 92 ARG HA H 92 3.624 3.624 4.080 -0.456 17554 6281 1 11 . 1 1 92 92 ARG CA C 92 60.847 60.847 60.632 0.215 17554 6282 1 11 . 1 1 92 92 ARG CB C 92 29.579 29.579 29.921 -0.342 17554 6283 1 11 . 1 1 92 92 ARG H H 92 9.124 9.124 8.917 0.207 17554 6284 1 11 . 1 1 93 93 ASN N N 93 115.060 115.060 117.818 -2.758 17554 6285 1 11 . 1 1 93 93 ASN HA H 93 4.395 4.395 4.502 -0.107 17554 6286 1 11 . 1 1 93 93 ASN CA C 93 56.562 56.562 56.091 0.471 17554 6287 1 11 . 1 1 93 93 ASN CB C 93 37.059 37.059 37.570 -0.511 17554 6288 1 11 . 1 1 93 93 ASN H H 93 9.117 9.117 8.578 0.539 17554 6289 1 11 . 1 1 94 94 GLN N N 94 119.980 119.980 119.075 0.905 17554 6290 1 11 . 1 1 94 94 GLN HA H 94 3.933 3.933 4.073 -0.140 17554 6291 1 11 . 1 1 94 94 GLN CA C 94 58.775 58.775 59.194 -0.419 17554 6292 1 11 . 1 1 94 94 GLN CB C 94 29.075 29.075 28.433 0.642 17554 6293 1 11 . 1 1 94 94 GLN H H 94 7.033 7.033 8.475 -1.442 17554 6294 1 11 . 1 1 95 95 ALA N N 95 120.823 120.823 123.135 -2.312 17554 6295 1 11 . 1 1 95 95 ALA HA H 95 3.761 3.761 4.015 -0.254 17554 6296 1 11 . 1 1 95 95 ALA CA C 95 55.680 55.680 55.222 0.458 17554 6297 1 11 . 1 1 95 95 ALA CB C 95 19.601 19.601 18.494 1.107 17554 6298 1 11 . 1 1 95 95 ALA H H 95 7.996 7.996 8.476 -0.480 17554 6299 1 11 . 1 1 96 96 ILE N N 96 116.250 116.250 120.301 -4.051 17554 6300 1 11 . 1 1 96 96 ILE HA H 96 3.420 3.420 3.513 -0.093 17554 6301 1 11 . 1 1 96 96 ILE CA C 96 65.611 65.611 66.500 -0.889 17554 6302 1 11 . 1 1 96 96 ILE CB C 96 37.869 37.869 38.016 -0.147 17554 6303 1 11 . 1 1 96 96 ILE H H 96 8.408 8.408 8.447 -0.039 17554 6304 1 11 . 1 1 97 97 GLN N N 97 118.601 118.601 119.331 -0.730 17554 6305 1 11 . 1 1 97 97 GLN HA H 97 3.734 3.734 3.854 -0.120 17554 6306 1 11 . 1 1 97 97 GLN CA C 97 59.011 59.011 59.454 -0.443 17554 6307 1 11 . 1 1 97 97 GLN CB C 97 28.425 28.425 28.711 -0.286 17554 6308 1 11 . 1 1 97 97 GLN H H 97 7.767 7.767 8.281 -0.514 17554 6309 1 11 . 1 1 98 98 ALA N N 98 121.375 121.375 122.835 -1.460 17554 6310 1 11 . 1 1 98 98 ALA HA H 98 2.748 2.748 3.882 -1.134 17554 6311 1 11 . 1 1 98 98 ALA CA C 98 54.408 54.408 55.212 -0.804 17554 6312 1 11 . 1 1 98 98 ALA CB C 98 20.084 20.084 18.497 1.587 17554 6313 1 11 . 1 1 98 98 ALA H H 98 7.905 7.905 8.156 -0.251 17554 6314 1 11 . 1 1 99 99 LEU N N 99 118.409 118.409 119.149 -0.740 17554 6315 1 11 . 1 1 99 99 LEU HA H 99 3.717 3.717 4.059 -0.342 17554 6316 1 11 . 1 1 99 99 LEU CA C 99 57.529 57.529 57.332 0.197 17554 6317 1 11 . 1 1 99 99 LEU CB C 99 40.714 40.714 41.430 -0.716 17554 6318 1 11 . 1 1 99 99 LEU H H 99 7.938 7.938 8.384 -0.446 17554 6319 1 11 . 1 1 100 100 ARG N N 100 119.771 119.771 119.511 0.260 17554 6320 1 11 . 1 1 100 100 ARG HA H 100 4.107 4.107 3.848 0.259 17554 6321 1 11 . 1 1 100 100 ARG CA C 100 59.182 59.182 59.459 -0.277 17554 6322 1 11 . 1 1 100 100 ARG CB C 100 30.021 30.021 29.904 0.117 17554 6323 1 11 . 1 1 100 100 ARG H H 100 8.248 8.248 8.415 -0.167 17554 6324 1 11 . 1 1 101 101 ALA N N 101 119.288 119.288 119.415 -0.127 17554 6325 1 11 . 1 1 101 101 ALA HA H 101 3.983 3.983 4.010 -0.027 17554 6326 1 11 . 1 1 101 101 ALA CA C 101 53.663 53.663 54.128 -0.465 17554 6327 1 11 . 1 1 101 101 ALA CB C 101 17.946 17.946 18.007 -0.061 17554 6328 1 11 . 1 1 101 101 ALA H H 101 7.324 7.324 7.344 -0.020 17554 6329 1 11 . 1 1 102 102 THR N N 102 105.233 105.233 107.871 -2.638 17554 6330 1 11 . 1 1 102 102 THR HA H 102 4.429 4.429 4.111 0.318 17554 6331 1 11 . 1 1 102 102 THR CA C 102 60.535 60.535 62.050 -1.516 17554 6332 1 11 . 1 1 102 102 THR CB C 102 71.036 71.036 69.419 1.617 17554 6333 1 11 . 1 1 102 102 THR H H 102 7.113 7.113 7.747 -0.634 17554 6334 1 11 . 1 1 103 103 ASN N N 103 119.293 119.293 119.813 -0.520 17554 6335 1 11 . 1 1 103 103 ASN HA H 103 4.343 4.343 4.314 0.029 17554 6336 1 11 . 1 1 103 103 ASN CA C 103 54.462 54.462 54.103 0.359 17554 6337 1 11 . 1 1 103 103 ASN CB C 103 36.960 36.960 37.177 -0.217 17554 6338 1 11 . 1 1 103 103 ASN H H 103 7.701 7.701 7.990 -0.289 17554 6339 1 11 . 1 1 104 104 ASN N N 104 108.274 108.274 112.755 -4.481 17554 6340 1 11 . 1 1 104 104 ASN HA H 104 3.956 3.956 4.387 -0.431 17554 6341 1 11 . 1 1 104 104 ASN CA C 104 54.757 54.757 54.665 0.092 17554 6342 1 11 . 1 1 104 104 ASN CB C 104 36.151 36.151 37.130 -0.979 17554 6343 1 11 . 1 1 104 104 ASN H H 104 9.048 9.048 8.834 0.214 17554 6344 1 11 . 1 1 105 105 ASN N N 105 118.458 118.458 118.712 -0.254 17554 6345 1 11 . 1 1 105 105 ASN HA H 105 4.728 4.728 4.714 0.014 17554 6346 1 11 . 1 1 105 105 ASN CA C 105 53.081 53.081 52.724 0.358 17554 6347 1 11 . 1 1 105 105 ASN CB C 105 40.405 40.405 39.092 1.313 17554 6348 1 11 . 1 1 105 105 ASN H H 105 7.061 7.061 7.427 -0.366 17554 6349 1 11 . 1 1 106 106 LEU N N 106 128.727 128.727 128.359 0.368 17554 6350 1 11 . 1 1 106 106 LEU HA H 106 3.732 3.732 3.998 -0.266 17554 6351 1 11 . 1 1 106 106 LEU CA C 106 59.307 59.307 59.247 0.060 17554 6352 1 11 . 1 1 106 106 LEU CB C 106 42.071 42.071 42.159 -0.088 17554 6353 1 11 . 1 1 106 106 LEU H H 106 8.718 8.718 8.303 0.415 17554 6354 1 11 . 1 1 107 107 GLU N N 107 117.325 117.325 118.126 -0.801 17554 6355 1 11 . 1 1 107 107 GLU HA H 107 3.890 3.890 3.973 -0.083 17554 6356 1 11 . 1 1 107 107 GLU CA C 107 60.871 60.871 59.855 1.016 17554 6357 1 11 . 1 1 107 107 GLU CB C 107 28.881 28.881 28.938 -0.057 17554 6358 1 11 . 1 1 107 107 GLU H H 107 8.390 8.390 8.369 0.021 17554 6359 1 11 . 1 1 108 108 ARG N N 108 117.912 117.912 119.882 -1.970 17554 6360 1 11 . 1 1 108 108 ARG HA H 108 4.265 4.265 4.185 0.080 17554 6361 1 11 . 1 1 108 108 ARG CA C 108 58.748 58.748 58.869 -0.121 17554 6362 1 11 . 1 1 108 108 ARG CB C 108 30.650 30.650 30.269 0.381 17554 6363 1 11 . 1 1 108 108 ARG H H 108 8.410 8.410 9.081 -0.671 17554 6364 1 11 . 1 1 109 109 ALA N N 109 127.124 127.124 123.595 3.529 17554 6365 1 11 . 1 1 109 109 ALA HA H 109 3.900 3.900 4.118 -0.218 17554 6366 1 11 . 1 1 109 109 ALA CA C 109 55.518 55.518 55.344 0.174 17554 6367 1 11 . 1 1 109 109 ALA CB C 109 17.772 17.772 18.367 -0.595 17554 6368 1 11 . 1 1 109 109 ALA H H 109 9.083 9.083 8.263 0.820 17554 6369 1 11 . 1 1 110 110 LEU N N 110 118.715 118.715 118.991 -0.276 17554 6370 1 11 . 1 1 110 110 LEU HA H 110 3.777 3.777 3.801 -0.024 17554 6371 1 11 . 1 1 110 110 LEU CA C 110 57.997 57.997 58.272 -0.275 17554 6372 1 11 . 1 1 110 110 LEU CB C 110 40.963 40.963 41.493 -0.530 17554 6373 1 11 . 1 1 110 110 LEU H H 110 8.215 8.215 8.321 -0.106 17554 6374 1 11 . 1 1 111 111 ASP N N 111 118.516 118.516 119.958 -1.442 17554 6375 1 11 . 1 1 111 111 ASP HA H 111 4.484 4.484 4.424 0.060 17554 6376 1 11 . 1 1 111 111 ASP CA C 111 57.634 57.634 58.181 -0.547 17554 6377 1 11 . 1 1 111 111 ASP CB C 111 41.026 41.026 41.168 -0.142 17554 6378 1 11 . 1 1 111 111 ASP H H 111 7.400 7.400 8.383 -0.983 17554 6379 1 11 . 1 1 112 112 TRP N N 112 122.780 122.780 120.855 1.925 17554 6380 1 11 . 1 1 112 112 TRP HA H 112 4.097 4.097 4.290 -0.193 17554 6381 1 11 . 1 1 112 112 TRP CA C 112 62.365 62.365 60.392 1.973 17554 6382 1 11 . 1 1 112 112 TRP CB C 112 29.490 29.490 29.786 -0.296 17554 6383 1 11 . 1 1 112 112 TRP H H 112 8.525 8.525 8.386 0.139 17554 6384 1 11 . 1 1 113 113 ILE N N 113 122.469 122.469 117.992 4.477 17554 6385 1 11 . 1 1 113 113 ILE HA H 113 3.575 3.575 3.567 0.008 17554 6386 1 11 . 1 1 113 113 ILE CA C 113 66.239 66.239 64.784 1.455 17554 6387 1 11 . 1 1 113 113 ILE CB C 113 37.688 37.688 37.311 0.377 17554 6388 1 11 . 1 1 113 113 ILE H H 113 8.618 8.618 8.363 0.255 17554 6389 1 11 . 1 1 114 114 PHE N N 114 118.665 118.665 120.185 -1.520 17554 6390 1 11 . 1 1 114 114 PHE HA H 114 4.386 4.386 4.247 0.139 17554 6391 1 11 . 1 1 114 114 PHE CA C 114 60.111 60.111 61.092 -0.981 17554 6392 1 11 . 1 1 114 114 PHE CB C 114 38.344 38.344 39.072 -0.728 17554 6393 1 11 . 1 1 114 114 PHE H H 114 8.109 8.109 8.820 -0.711 17554 6394 1 11 . 1 1 115 115 SER N N 115 111.172 111.172 112.454 -1.282 17554 6395 1 11 . 1 1 115 115 SER HA H 115 4.333 4.333 4.272 0.061 17554 6396 1 11 . 1 1 115 115 SER CA C 115 58.593 58.593 58.434 0.159 17554 6397 1 11 . 1 1 115 115 SER CB C 115 64.067 64.067 63.009 1.058 17554 6398 1 11 . 1 1 115 115 SER H H 115 7.723 7.723 7.617 0.106 17554 6399 1 11 . 1 1 116 116 HIS N N 116 119.686 119.686 119.841 -0.155 17554 6400 1 11 . 1 1 116 116 HIS HA H 116 4.749 4.749 5.429 -0.680 17554 6401 1 11 . 1 1 116 116 HIS CA C 116 54.476 54.476 52.849 1.627 17554 6402 1 11 . 1 1 116 116 HIS CB C 116 27.310 27.310 29.320 -2.010 17554 6403 1 11 . 1 1 116 116 HIS H H 116 7.407 7.407 7.585 -0.178 17554 6404 1 11 . 1 1 117 117 PRO HA H 117 4.465 4.465 4.244 0.221 17554 6405 1 11 . 1 1 117 117 PRO CA C 117 64.170 64.170 65.174 -1.004 17554 6406 1 11 . 1 1 117 117 PRO CB C 117 31.939 31.939 32.374 -0.436 17554 6407 1 11 . 1 1 118 118 GLU N N 118 119.986 119.986 114.408 5.578 17554 6408 1 11 . 1 1 118 118 GLU HA H 118 4.338 4.338 4.369 -0.031 17554 6409 1 11 . 1 1 118 118 GLU CA C 118 56.440 56.440 56.676 -0.236 17554 6410 1 11 . 1 1 118 118 GLU CB C 118 29.469 29.469 29.688 -0.219 17554 6411 1 11 . 1 1 118 118 GLU H H 118 8.667 8.667 8.111 0.556 17554 6412 1 11 . 1 1 119 119 PHE N N 119 121.581 121.581 121.559 0.022 17554 6413 1 11 . 1 1 119 119 PHE HA H 119 4.632 4.632 4.675 -0.043 17554 6414 1 11 . 1 1 119 119 PHE CA C 119 57.981 57.981 58.009 -0.028 17554 6415 1 11 . 1 1 119 119 PHE CB C 119 39.805 39.805 39.646 0.159 17554 6416 1 11 . 1 1 119 119 PHE H H 119 8.054 8.054 7.971 0.083 17554 6417 1 11 . 1 1 120 120 GLU N N 120 123.882 123.882 116.625 7.257 17554 6418 1 11 . 1 1 120 120 GLU HA H 120 4.273 4.273 4.045 0.228 17554 6419 1 11 . 1 1 120 120 GLU CA C 120 56.127 56.127 57.287 -1.160 17554 6420 1 11 . 1 1 120 120 GLU CB C 120 30.789 30.789 29.273 1.516 17554 6421 1 11 . 1 1 120 120 GLU H H 120 8.264 8.264 8.142 0.122 17554 6422 1 11 . 1 1 121 121 GLU N N 121 122.504 122.504 120.001 2.503 17554 6423 1 11 . 1 1 121 121 GLU HA H 121 4.213 4.213 4.495 -0.282 17554 6424 1 11 . 1 1 121 121 GLU CA C 121 56.634 56.634 55.759 0.875 17554 6425 1 11 . 1 1 121 121 GLU CB C 121 30.580 30.580 30.304 0.276 17554 6426 1 11 . 1 1 121 121 GLU H H 121 8.398 8.398 8.435 -0.037 17554 6427 1 11 . 1 1 122 122 ASP N N 122 121.820 121.820 121.026 0.794 17554 6428 1 11 . 1 1 122 122 ASP HA H 122 4.627 4.627 4.661 -0.034 17554 6429 1 11 . 1 1 122 122 ASP CA C 122 54.443 54.443 53.418 1.025 17554 6430 1 11 . 1 1 122 122 ASP CB C 122 41.237 41.237 42.779 -1.542 17554 6431 1 11 . 1 1 122 122 ASP H H 122 8.478 8.478 8.326 0.152 17554 6432 1 11 . 1 1 123 123 SER N N 123 116.397 116.397 117.725 -1.328 17554 6433 1 11 . 1 1 123 123 SER HA H 123 4.392 4.392 4.260 0.132 17554 6434 1 11 . 1 1 123 123 SER CA C 123 58.605 58.605 58.602 0.003 17554 6435 1 11 . 1 1 123 123 SER CB C 123 64.064 64.064 63.909 0.155 17554 6436 1 11 . 1 1 123 123 SER H H 123 8.236 8.236 8.422 -0.186 17554 6437 1 11 . 1 1 124 124 ASP N N 124 122.070 122.070 125.291 -3.221 17554 6438 1 11 . 1 1 124 124 ASP HA H 124 4.599 4.599 4.664 -0.065 17554 6439 1 11 . 1 1 124 124 ASP CA C 124 54.501 54.501 53.771 0.730 17554 6440 1 11 . 1 1 124 124 ASP CB C 124 41.106 41.106 41.773 -0.667 17554 6441 1 11 . 1 1 124 124 ASP H H 124 8.378 8.378 8.304 0.074 17554 6442 1 11 . 1 1 125 125 PHE N N 125 120.274 120.274 121.505 -1.231 17554 6443 1 11 . 1 1 125 125 PHE HA H 125 4.623 4.623 4.723 -0.100 17554 6444 1 11 . 1 1 125 125 PHE CA C 125 57.913 57.913 57.336 0.577 17554 6445 1 11 . 1 1 125 125 PHE CB C 125 39.601 39.601 39.819 -0.218 17554 6446 1 11 . 1 1 125 125 PHE H H 125 8.049 8.049 8.319 -0.270 17554 6447 1 12 . 1 1 2 2 ILE N N 2 117.266 117.266 123.115 -5.849 17554 6448 1 12 . 1 1 2 2 ILE HA H 2 3.919 3.919 4.157 -0.238 17554 6449 1 12 . 1 1 2 2 ILE CA C 2 60.653 60.653 61.664 -1.011 17554 6450 1 12 . 1 1 2 2 ILE CB C 2 41.029 41.029 38.342 2.687 17554 6451 1 12 . 1 1 2 2 ILE H H 2 7.746 7.746 7.983 -0.237 17554 6452 1 12 . 1 1 3 3 ASP N N 3 125.895 125.895 129.542 -3.647 17554 6453 1 12 . 1 1 3 3 ASP HA H 3 4.606 4.606 4.556 0.050 17554 6454 1 12 . 1 1 3 3 ASP CA C 3 54.349 54.349 54.249 0.100 17554 6455 1 12 . 1 1 3 3 ASP CB C 3 41.214 41.214 40.639 0.575 17554 6456 1 12 . 1 1 3 3 ASP H H 3 8.328 8.328 8.782 -0.454 17554 6457 1 12 . 1 1 4 4 GLU N N 4 128.620 128.620 124.668 3.952 17554 6458 1 12 . 1 1 4 4 GLU HA H 4 3.948 3.948 4.155 -0.207 17554 6459 1 12 . 1 1 4 4 GLU CA C 4 58.981 58.981 58.046 0.935 17554 6460 1 12 . 1 1 4 4 GLU CB C 4 29.631 29.631 29.443 0.188 17554 6461 1 12 . 1 1 4 4 GLU H H 4 8.991 8.991 8.115 0.876 17554 6462 1 12 . 1 1 5 5 SER N N 5 115.342 115.342 115.928 -0.586 17554 6463 1 12 . 1 1 5 5 SER HA H 5 4.254 4.254 4.262 -0.008 17554 6464 1 12 . 1 1 5 5 SER CA C 5 61.961 61.961 61.472 0.489 17554 6465 1 12 . 1 1 5 5 SER CB C 5 62.222 62.222 62.680 -0.458 17554 6466 1 12 . 1 1 5 5 SER H H 5 8.634 8.634 8.335 0.299 17554 6467 1 12 . 1 1 6 6 SER N N 6 119.418 119.418 117.970 1.448 17554 6468 1 12 . 1 1 6 6 SER HA H 6 4.354 4.354 4.493 -0.139 17554 6469 1 12 . 1 1 6 6 SER CA C 6 61.729 61.729 62.271 -0.542 17554 6470 1 12 . 1 1 6 6 SER CB C 6 63.366 63.366 63.130 0.236 17554 6471 1 12 . 1 1 6 6 SER H H 6 7.670 7.670 8.229 -0.559 17554 6472 1 12 . 1 1 7 7 VAL N N 7 120.774 120.774 122.546 -1.772 17554 6473 1 12 . 1 1 7 7 VAL HA H 7 3.234 3.234 3.866 -0.632 17554 6474 1 12 . 1 1 7 7 VAL CA C 7 67.151 67.151 65.319 1.832 17554 6475 1 12 . 1 1 7 7 VAL CB C 7 31.792 31.792 31.875 -0.083 17554 6476 1 12 . 1 1 7 7 VAL H H 7 7.286 7.286 7.523 -0.237 17554 6477 1 12 . 1 1 8 8 MET N N 8 116.159 116.159 118.213 -2.054 17554 6478 1 12 . 1 1 8 8 MET HA H 8 4.356 4.356 4.048 0.308 17554 6479 1 12 . 1 1 8 8 MET CA C 8 57.482 57.482 59.417 -1.935 17554 6480 1 12 . 1 1 8 8 MET CB C 8 31.341 31.341 32.379 -1.038 17554 6481 1 12 . 1 1 8 8 MET H H 8 8.244 8.244 8.262 -0.018 17554 6482 1 12 . 1 1 9 9 GLN N N 9 119.708 119.708 120.020 -0.312 17554 6483 1 12 . 1 1 9 9 GLN HA H 9 4.101 4.101 4.338 -0.237 17554 6484 1 12 . 1 1 9 9 GLN CA C 9 59.331 59.331 58.503 0.828 17554 6485 1 12 . 1 1 9 9 GLN CB C 9 28.880 28.880 28.432 0.448 17554 6486 1 12 . 1 1 9 9 GLN H H 9 7.855 7.855 8.074 -0.219 17554 6487 1 12 . 1 1 10 10 LEU N N 10 118.986 118.986 120.830 -1.844 17554 6488 1 12 . 1 1 10 10 LEU HA H 10 4.463 4.463 4.118 0.345 17554 6489 1 12 . 1 1 10 10 LEU CA C 10 57.438 57.438 57.238 0.200 17554 6490 1 12 . 1 1 10 10 LEU CB C 10 42.943 42.943 41.643 1.300 17554 6491 1 12 . 1 1 10 10 LEU H H 10 7.432 7.432 7.781 -0.349 17554 6492 1 12 . 1 1 11 11 ALA N N 11 125.146 125.146 120.575 4.571 17554 6493 1 12 . 1 1 11 11 ALA HA H 11 4.411 4.411 4.441 -0.030 17554 6494 1 12 . 1 1 11 11 ALA CA C 11 55.259 55.259 54.506 0.753 17554 6495 1 12 . 1 1 11 11 ALA CB C 11 17.734 17.734 18.852 -1.118 17554 6496 1 12 . 1 1 11 11 ALA H H 11 8.797 8.797 8.244 0.553 17554 6497 1 12 . 1 1 12 12 GLU N N 12 119.871 119.871 116.253 3.618 17554 6498 1 12 . 1 1 12 12 GLU HA H 12 4.117 4.117 4.169 -0.052 17554 6499 1 12 . 1 1 12 12 GLU CA C 12 58.473 58.473 58.429 0.044 17554 6500 1 12 . 1 1 12 12 GLU CB C 12 29.531 29.531 29.943 -0.412 17554 6501 1 12 . 1 1 12 12 GLU H H 12 8.178 8.178 8.007 0.171 17554 6502 1 12 . 1 1 13 13 MET N N 13 116.292 116.292 114.607 1.685 17554 6503 1 12 . 1 1 13 13 MET HA H 13 4.296 4.296 4.731 -0.435 17554 6504 1 12 . 1 1 13 13 MET CA C 13 56.797 56.797 56.820 -0.023 17554 6505 1 12 . 1 1 13 13 MET CB C 13 33.221 33.221 33.339 -0.118 17554 6506 1 12 . 1 1 13 13 MET H H 13 7.619 7.619 7.594 0.025 17554 6507 1 12 . 1 1 14 14 GLY N N 14 104.580 104.580 107.468 -2.888 17554 6508 1 12 . 1 1 14 14 GLY CA C 14 44.860 44.860 45.532 -0.672 17554 6509 1 12 . 1 1 14 14 GLY H H 14 7.873 7.873 7.761 0.112 17554 6510 1 12 . 1 1 15 15 PHE N N 15 118.802 118.802 117.156 1.646 17554 6511 1 12 . 1 1 15 15 PHE HA H 15 5.017 5.017 5.243 -0.226 17554 6512 1 12 . 1 1 15 15 PHE CA C 15 56.352 56.352 54.497 1.855 17554 6513 1 12 . 1 1 15 15 PHE CB C 15 39.395 39.395 41.730 -2.336 17554 6514 1 12 . 1 1 15 15 PHE H H 15 6.623 6.623 7.525 -0.902 17554 6515 1 12 . 1 1 16 16 PRO HA H 16 4.530 4.530 4.533 -0.003 17554 6516 1 12 . 1 1 16 16 PRO CA C 16 63.064 63.064 63.406 -0.342 17554 6517 1 12 . 1 1 16 16 PRO CB C 16 32.293 32.293 30.270 2.023 17554 6518 1 12 . 1 1 17 17 LEU N N 17 128.389 128.389 126.043 2.346 17554 6519 1 12 . 1 1 17 17 LEU HA H 17 3.945 3.945 4.479 -0.534 17554 6520 1 12 . 1 1 17 17 LEU CA C 17 59.601 59.601 53.787 5.814 17554 6521 1 12 . 1 1 17 17 LEU CB C 17 42.248 42.248 39.760 2.488 17554 6522 1 12 . 1 1 17 17 LEU H H 17 9.041 9.041 8.280 0.761 17554 6523 1 12 . 1 1 18 18 GLU N N 18 114.837 114.837 123.933 -9.096 17554 6524 1 12 . 1 1 18 18 GLU HA H 18 4.067 4.067 3.810 0.257 17554 6525 1 12 . 1 1 18 18 GLU CA C 18 59.139 59.139 59.423 -0.284 17554 6526 1 12 . 1 1 18 18 GLU CB C 18 28.874 28.874 29.653 -0.779 17554 6527 1 12 . 1 1 18 18 GLU H H 18 9.267 9.267 8.163 1.104 17554 6528 1 12 . 1 1 19 19 ALA N N 19 119.137 119.137 121.436 -2.299 17554 6529 1 12 . 1 1 19 19 ALA HA H 19 3.918 3.918 3.614 0.304 17554 6530 1 12 . 1 1 19 19 ALA CA C 19 54.872 54.872 54.684 0.188 17554 6531 1 12 . 1 1 19 19 ALA CB C 19 17.972 17.972 17.719 0.253 17554 6532 1 12 . 1 1 19 19 ALA H H 19 6.838 6.838 8.401 -1.563 17554 6533 1 12 . 1 1 20 20 CYS N N 20 116.877 116.877 117.487 -0.610 17554 6534 1 12 . 1 1 20 20 CYS HA H 20 3.891 3.891 4.224 -0.333 17554 6535 1 12 . 1 1 20 20 CYS CA C 20 63.356 63.356 62.981 0.375 17554 6536 1 12 . 1 1 20 20 CYS CB C 20 28.018 28.018 27.722 0.296 17554 6537 1 12 . 1 1 20 20 CYS H H 20 7.610 7.610 8.303 -0.693 17554 6538 1 12 . 1 1 21 21 ARG N N 21 117.434 117.434 120.664 -3.230 17554 6539 1 12 . 1 1 21 21 ARG HA H 21 3.696 3.696 3.921 -0.225 17554 6540 1 12 . 1 1 21 21 ARG CA C 21 60.192 60.192 59.826 0.366 17554 6541 1 12 . 1 1 21 21 ARG CB C 21 30.175 30.175 30.116 0.059 17554 6542 1 12 . 1 1 21 21 ARG H H 21 7.965 7.965 7.757 0.208 17554 6543 1 12 . 1 1 22 22 LYS N N 22 117.667 117.667 117.735 -0.068 17554 6544 1 12 . 1 1 22 22 LYS HA H 22 3.412 3.412 4.198 -0.786 17554 6545 1 12 . 1 1 22 22 LYS CA C 22 60.181 60.181 58.934 1.247 17554 6546 1 12 . 1 1 22 22 LYS CB C 22 32.085 32.085 32.024 0.061 17554 6547 1 12 . 1 1 22 22 LYS H H 22 7.392 7.392 8.451 -1.059 17554 6548 1 12 . 1 1 23 23 ALA N N 23 120.670 120.670 123.659 -2.989 17554 6549 1 12 . 1 1 23 23 ALA HA H 23 3.015 3.015 4.272 -1.257 17554 6550 1 12 . 1 1 23 23 ALA CA C 23 54.845 54.845 54.835 0.010 17554 6551 1 12 . 1 1 23 23 ALA CB C 23 19.900 19.900 18.454 1.446 17554 6552 1 12 . 1 1 23 23 ALA H H 23 8.043 8.043 7.736 0.307 17554 6553 1 12 . 1 1 24 24 VAL N N 24 117.629 117.629 120.367 -2.738 17554 6554 1 12 . 1 1 24 24 VAL HA H 24 3.510 3.510 3.624 -0.114 17554 6555 1 12 . 1 1 24 24 VAL CA C 24 65.665 65.665 66.894 -1.229 17554 6556 1 12 . 1 1 24 24 VAL CB C 24 32.009 32.009 31.715 0.294 17554 6557 1 12 . 1 1 24 24 VAL H H 24 7.381 7.381 8.868 -1.487 17554 6558 1 12 . 1 1 25 25 TYR N N 25 120.392 120.392 120.713 -0.321 17554 6559 1 12 . 1 1 25 25 TYR HA H 25 3.860 3.860 4.059 -0.199 17554 6560 1 12 . 1 1 25 25 TYR CA C 25 62.098 62.098 61.661 0.437 17554 6561 1 12 . 1 1 25 25 TYR CB C 25 38.735 38.735 38.688 0.047 17554 6562 1 12 . 1 1 25 25 TYR H H 25 8.029 8.029 7.816 0.213 17554 6563 1 12 . 1 1 26 26 PHE N N 26 116.460 116.460 118.696 -2.236 17554 6564 1 12 . 1 1 26 26 PHE HA H 26 4.181 4.181 4.095 0.086 17554 6565 1 12 . 1 1 26 26 PHE CA C 26 60.345 60.345 60.391 -0.045 17554 6566 1 12 . 1 1 26 26 PHE CB C 26 37.917 37.917 39.329 -1.412 17554 6567 1 12 . 1 1 26 26 PHE H H 26 9.102 9.102 7.957 1.145 17554 6568 1 12 . 1 1 27 27 THR N N 27 106.212 106.212 110.084 -3.872 17554 6569 1 12 . 1 1 27 27 THR HA H 27 4.477 4.477 3.758 0.719 17554 6570 1 12 . 1 1 27 27 THR CA C 27 61.195 61.195 62.951 -1.756 17554 6571 1 12 . 1 1 27 27 THR CB C 27 69.061 69.061 69.077 -0.016 17554 6572 1 12 . 1 1 27 27 THR H H 27 7.050 7.050 8.141 -1.091 17554 6573 1 12 . 1 1 28 28 GLY N N 28 107.275 107.275 109.039 -1.764 17554 6574 1 12 . 1 1 28 28 GLY CA C 28 46.575 46.575 44.684 1.891 17554 6575 1 12 . 1 1 28 28 GLY H H 28 7.278 7.278 7.157 0.121 17554 6576 1 12 . 1 1 29 29 ASN N N 29 118.189 118.189 115.312 2.877 17554 6577 1 12 . 1 1 29 29 ASN HA H 29 4.342 4.342 4.289 0.053 17554 6578 1 12 . 1 1 29 29 ASN CA C 29 53.614 53.614 53.821 -0.207 17554 6579 1 12 . 1 1 29 29 ASN CB C 29 37.302 37.302 37.546 -0.244 17554 6580 1 12 . 1 1 29 29 ASN H H 29 8.704 8.704 8.656 0.048 17554 6581 1 12 . 1 1 30 30 MET N N 30 119.241 119.241 116.527 2.714 17554 6582 1 12 . 1 1 30 30 MET HA H 30 4.791 4.791 4.410 0.381 17554 6583 1 12 . 1 1 30 30 MET CA C 30 53.943 53.943 55.201 -1.258 17554 6584 1 12 . 1 1 30 30 MET CB C 30 33.263 33.263 32.907 0.356 17554 6585 1 12 . 1 1 30 30 MET H H 30 8.921 8.921 7.638 1.283 17554 6586 1 12 . 1 1 31 31 GLY N N 31 109.623 109.623 104.087 5.536 17554 6587 1 12 . 1 1 31 31 GLY CA C 31 44.151 44.151 44.273 -0.122 17554 6588 1 12 . 1 1 31 31 GLY H H 31 8.349 8.349 7.663 0.686 17554 6589 1 12 . 1 1 32 32 ALA N N 32 121.096 121.096 124.070 -2.974 17554 6590 1 12 . 1 1 32 32 ALA HA H 32 3.980 3.980 4.167 -0.187 17554 6591 1 12 . 1 1 32 32 ALA CA C 32 55.192 55.192 54.204 0.988 17554 6592 1 12 . 1 1 32 32 ALA CB C 32 19.058 19.058 18.768 0.290 17554 6593 1 12 . 1 1 32 32 ALA H H 32 8.899 8.899 8.619 0.280 17554 6594 1 12 . 1 1 33 33 GLU N N 33 119.428 119.428 118.672 0.756 17554 6595 1 12 . 1 1 33 33 GLU HA H 33 4.095 4.095 4.154 -0.059 17554 6596 1 12 . 1 1 33 33 GLU CA C 33 60.864 60.864 59.377 1.487 17554 6597 1 12 . 1 1 33 33 GLU CB C 33 28.661 28.661 28.580 0.081 17554 6598 1 12 . 1 1 33 33 GLU H H 33 8.705 8.705 8.934 -0.229 17554 6599 1 12 . 1 1 34 34 VAL N N 34 117.216 117.216 119.912 -2.696 17554 6600 1 12 . 1 1 34 34 VAL HA H 34 4.062 4.062 3.931 0.131 17554 6601 1 12 . 1 1 34 34 VAL CA C 34 65.178 65.178 66.227 -1.049 17554 6602 1 12 . 1 1 34 34 VAL CB C 34 31.684 31.684 31.352 0.333 17554 6603 1 12 . 1 1 34 34 VAL H H 34 8.178 8.178 7.826 0.352 17554 6604 1 12 . 1 1 35 35 ALA N N 35 123.635 123.635 122.427 1.208 17554 6605 1 12 . 1 1 35 35 ALA HA H 35 4.289 4.289 4.342 -0.053 17554 6606 1 12 . 1 1 35 35 ALA CA C 35 54.787 54.787 54.906 -0.119 17554 6607 1 12 . 1 1 35 35 ALA CB C 35 19.794 19.794 18.378 1.416 17554 6608 1 12 . 1 1 35 35 ALA H H 35 7.178 7.178 7.819 -0.641 17554 6609 1 12 . 1 1 36 36 PHE N N 36 120.976 120.976 120.325 0.651 17554 6610 1 12 . 1 1 36 36 PHE HA H 36 4.079 4.079 4.137 -0.058 17554 6611 1 12 . 1 1 36 36 PHE CA C 36 61.339 61.339 61.904 -0.565 17554 6612 1 12 . 1 1 36 36 PHE CB C 36 38.952 38.952 39.291 -0.339 17554 6613 1 12 . 1 1 36 36 PHE H H 36 8.832 8.832 9.043 -0.211 17554 6614 1 12 . 1 1 37 37 ASN N N 37 114.823 114.823 117.773 -2.950 17554 6615 1 12 . 1 1 37 37 ASN HA H 37 4.318 4.318 4.288 0.030 17554 6616 1 12 . 1 1 37 37 ASN CA C 37 56.379 56.379 56.686 -0.307 17554 6617 1 12 . 1 1 37 37 ASN CB C 37 38.288 38.288 38.621 -0.333 17554 6618 1 12 . 1 1 37 37 ASN H H 37 7.591 7.591 8.543 -0.952 17554 6619 1 12 . 1 1 38 38 TRP N N 38 119.984 119.984 120.899 -0.915 17554 6620 1 12 . 1 1 38 38 TRP HA H 38 4.191 4.191 4.509 -0.318 17554 6621 1 12 . 1 1 38 38 TRP CA C 38 62.279 62.279 60.370 1.909 17554 6622 1 12 . 1 1 38 38 TRP CB C 38 30.545 30.545 29.964 0.581 17554 6623 1 12 . 1 1 38 38 TRP H H 38 7.630 7.630 7.995 -0.365 17554 6624 1 12 . 1 1 39 39 ILE N N 39 121.183 121.183 120.388 0.795 17554 6625 1 12 . 1 1 39 39 ILE HA H 39 3.647 3.647 3.903 -0.256 17554 6626 1 12 . 1 1 39 39 ILE CA C 39 65.651 65.651 62.964 2.687 17554 6627 1 12 . 1 1 39 39 ILE CB C 39 36.375 36.375 38.212 -1.837 17554 6628 1 12 . 1 1 39 39 ILE H H 39 8.017 8.017 8.013 0.004 17554 6629 1 12 . 1 1 40 40 ILE N N 40 115.084 115.084 117.607 -2.523 17554 6630 1 12 . 1 1 40 40 ILE HA H 40 3.665 3.665 3.750 -0.085 17554 6631 1 12 . 1 1 40 40 ILE CA C 40 63.224 63.224 64.221 -0.997 17554 6632 1 12 . 1 1 40 40 ILE CB C 40 36.681 36.681 37.155 -0.474 17554 6633 1 12 . 1 1 40 40 ILE H H 40 7.474 7.474 7.652 -0.178 17554 6634 1 12 . 1 1 41 41 VAL N N 41 116.045 116.045 118.018 -1.973 17554 6635 1 12 . 1 1 41 41 VAL HA H 41 3.661 3.661 3.663 -0.002 17554 6636 1 12 . 1 1 41 41 VAL CA C 41 64.452 64.452 63.702 0.750 17554 6637 1 12 . 1 1 41 41 VAL CB C 41 32.156 32.156 31.963 0.193 17554 6638 1 12 . 1 1 41 41 VAL H H 41 7.054 7.054 7.622 -0.568 17554 6639 1 12 . 1 1 42 42 HIS N N 42 115.595 115.595 116.966 -1.371 17554 6640 1 12 . 1 1 42 42 HIS HA H 42 4.098 4.098 4.514 -0.416 17554 6641 1 12 . 1 1 42 42 HIS CA C 42 57.365 57.365 56.618 0.747 17554 6642 1 12 . 1 1 42 42 HIS CB C 42 28.251 28.251 29.645 -1.394 17554 6643 1 12 . 1 1 42 42 HIS H H 42 7.353 7.353 7.473 -0.120 17554 6644 1 12 . 1 1 43 43 MET N N 43 117.495 117.495 118.373 -0.878 17554 6645 1 12 . 1 1 43 43 MET HA H 43 2.064 2.064 4.263 -2.199 17554 6646 1 12 . 1 1 43 43 MET CA C 43 57.980 57.980 58.620 -0.640 17554 6647 1 12 . 1 1 43 43 MET CB C 43 32.258 32.258 32.173 0.084 17554 6648 1 12 . 1 1 43 43 MET H H 43 7.373 7.373 7.626 -0.253 17554 6649 1 12 . 1 1 44 44 GLU N N 44 116.844 116.844 116.847 -0.003 17554 6650 1 12 . 1 1 44 44 GLU HA H 44 4.346 4.346 4.047 0.299 17554 6651 1 12 . 1 1 44 44 GLU CA C 44 55.838 55.838 57.774 -1.936 17554 6652 1 12 . 1 1 44 44 GLU CB C 44 29.351 29.351 28.922 0.429 17554 6653 1 12 . 1 1 44 44 GLU H H 44 8.102 8.102 8.180 -0.078 17554 6654 1 12 . 1 1 45 45 GLU N N 45 121.925 121.925 120.479 1.446 17554 6655 1 12 . 1 1 45 45 GLU HA H 45 4.426 4.426 4.753 -0.327 17554 6656 1 12 . 1 1 45 45 GLU CA C 45 55.141 55.141 52.998 2.143 17554 6657 1 12 . 1 1 45 45 GLU CB C 45 28.513 28.513 29.186 -0.672 17554 6658 1 12 . 1 1 45 45 GLU H H 45 7.853 7.853 7.826 0.027 17554 6659 1 12 . 1 1 46 46 PRO HA H 46 4.440 4.440 4.163 0.277 17554 6660 1 12 . 1 1 46 46 PRO CA C 46 65.070 65.070 65.529 -0.460 17554 6661 1 12 . 1 1 46 46 PRO CB C 46 31.850 31.850 31.938 -0.088 17554 6662 1 12 . 1 1 47 47 ASP N N 47 115.051 115.051 115.034 0.017 17554 6663 1 12 . 1 1 47 47 ASP HA H 47 4.686 4.686 4.595 0.091 17554 6664 1 12 . 1 1 47 47 ASP CA C 47 52.841 52.841 52.851 -0.010 17554 6665 1 12 . 1 1 47 47 ASP CB C 47 39.711 39.711 40.303 -0.592 17554 6666 1 12 . 1 1 47 47 ASP H H 47 8.437 8.437 8.405 0.032 17554 6667 1 12 . 1 1 48 48 PHE N N 48 122.693 122.693 120.192 2.501 17554 6668 1 12 . 1 1 48 48 PHE HA H 48 4.522 4.522 4.238 0.284 17554 6669 1 12 . 1 1 48 48 PHE CA C 48 60.887 60.887 58.477 2.410 17554 6670 1 12 . 1 1 48 48 PHE CB C 48 40.495 40.495 39.503 0.992 17554 6671 1 12 . 1 1 48 48 PHE H H 48 7.695 7.695 7.647 0.048 17554 6672 1 12 . 1 1 49 49 ALA N N 49 117.185 117.185 119.830 -2.645 17554 6673 1 12 . 1 1 49 49 ALA HA H 49 4.099 4.099 4.332 -0.233 17554 6674 1 12 . 1 1 49 49 ALA CA C 49 51.211 51.211 51.261 -0.050 17554 6675 1 12 . 1 1 49 49 ALA CB C 49 19.067 19.067 20.214 -1.147 17554 6676 1 12 . 1 1 49 49 ALA H H 49 8.643 8.643 7.188 1.455 17554 6677 1 12 . 1 1 50 50 GLU N N 50 119.707 119.707 119.373 0.334 17554 6678 1 12 . 1 1 50 50 GLU HA H 50 4.412 4.412 4.732 -0.320 17554 6679 1 12 . 1 1 50 50 GLU CA C 50 54.755 54.755 53.397 1.358 17554 6680 1 12 . 1 1 50 50 GLU CB C 50 29.274 29.274 29.779 -0.505 17554 6681 1 12 . 1 1 50 50 GLU H H 50 7.412 7.412 8.270 -0.858 17554 6682 1 12 . 1 1 51 51 PRO HA H 51 4.315 4.315 4.193 0.122 17554 6683 1 12 . 1 1 51 51 PRO CA C 51 62.863 62.863 63.466 -0.603 17554 6684 1 12 . 1 1 51 51 PRO CB C 51 32.408 32.408 32.225 0.183 17554 6685 1 12 . 1 1 52 52 LEU N N 52 123.507 123.507 123.987 -0.480 17554 6686 1 12 . 1 1 52 52 LEU HA H 52 4.210 4.210 4.060 0.150 17554 6687 1 12 . 1 1 52 52 LEU CA C 52 55.217 55.217 54.017 1.200 17554 6688 1 12 . 1 1 52 52 LEU CB C 52 42.918 42.918 39.017 3.901 17554 6689 1 12 . 1 1 52 52 LEU H H 52 8.475 8.475 8.432 0.043 17554 6690 1 12 . 1 1 53 53 THR N N 53 119.005 119.005 114.369 4.636 17554 6691 1 12 . 1 1 53 53 THR HA H 53 4.292 4.292 4.637 -0.345 17554 6692 1 12 . 1 1 53 53 THR CA C 53 61.478 61.478 60.886 0.592 17554 6693 1 12 . 1 1 53 53 THR CB C 53 69.752 69.752 70.713 -0.961 17554 6694 1 12 . 1 1 53 53 THR H H 53 8.371 8.371 8.306 0.065 17554 6695 1 12 . 1 1 54 54 MET N N 54 124.439 124.439 122.547 1.892 17554 6696 1 12 . 1 1 54 54 MET HA H 54 4.651 4.651 5.078 -0.427 17554 6697 1 12 . 1 1 54 54 MET CA C 54 53.235 53.235 53.303 -0.068 17554 6698 1 12 . 1 1 54 54 MET CB C 54 32.605 32.605 32.105 0.500 17554 6699 1 12 . 1 1 54 54 MET H H 54 8.264 8.264 8.770 -0.506 17554 6700 1 12 . 1 1 55 55 PRO HA H 55 4.368 4.368 4.480 -0.112 17554 6701 1 12 . 1 1 55 55 PRO CA C 55 63.668 63.668 62.901 0.767 17554 6702 1 12 . 1 1 55 55 PRO CB C 55 32.038 32.038 31.404 0.634 17554 6703 1 12 . 1 1 56 56 GLY N N 56 109.663 109.663 108.069 1.594 17554 6704 1 12 . 1 1 56 56 GLY CA C 56 45.314 45.314 44.643 0.671 17554 6705 1 12 . 1 1 56 56 GLY H H 56 8.461 8.461 7.970 0.491 17554 6706 1 12 . 1 1 57 57 TYR N N 57 120.317 120.317 117.089 3.228 17554 6707 1 12 . 1 1 57 57 TYR HA H 57 4.528 4.528 4.774 -0.246 17554 6708 1 12 . 1 1 57 57 TYR CA C 57 58.132 58.132 55.969 2.163 17554 6709 1 12 . 1 1 57 57 TYR CB C 57 38.958 38.958 38.359 0.599 17554 6710 1 12 . 1 1 57 57 TYR H H 57 8.033 8.033 8.080 -0.047 17554 6711 1 12 . 1 1 58 58 GLY N N 58 111.694 111.694 107.390 4.304 17554 6712 1 12 . 1 1 58 58 GLY CA C 58 45.489 45.489 45.097 0.392 17554 6713 1 12 . 1 1 58 58 GLY H H 58 8.423 8.423 7.464 0.959 17554 6714 1 12 . 1 1 59 59 GLY N N 59 108.403 108.403 109.269 -0.866 17554 6715 1 12 . 1 1 59 59 GLY CA C 59 45.210 45.210 44.550 0.660 17554 6716 1 12 . 1 1 59 59 GLY H H 59 7.871 7.871 8.182 -0.311 17554 6717 1 12 . 1 1 60 60 ALA N N 60 123.835 123.835 121.446 2.389 17554 6718 1 12 . 1 1 60 60 ALA HA H 60 4.294 4.294 4.653 -0.359 17554 6719 1 12 . 1 1 60 60 ALA CA C 60 52.710 52.710 51.492 1.218 17554 6720 1 12 . 1 1 60 60 ALA CB C 60 19.353 19.353 20.473 -1.120 17554 6721 1 12 . 1 1 60 60 ALA H H 60 8.207 8.207 8.063 0.144 17554 6722 1 12 . 1 1 61 61 ALA N N 61 123.032 123.032 122.888 0.144 17554 6723 1 12 . 1 1 61 61 ALA HA H 61 4.316 4.316 4.384 -0.068 17554 6724 1 12 . 1 1 61 61 ALA CA C 61 52.751 52.751 51.391 1.360 17554 6725 1 12 . 1 1 61 61 ALA CB C 61 19.096 19.096 18.979 0.117 17554 6726 1 12 . 1 1 61 61 ALA H H 61 8.331 8.331 7.976 0.355 17554 6727 1 12 . 1 1 62 62 SER N N 62 114.625 114.625 114.382 0.243 17554 6728 1 12 . 1 1 62 62 SER HA H 62 4.406 4.406 4.257 0.149 17554 6729 1 12 . 1 1 62 62 SER CA C 62 58.283 58.283 57.769 0.514 17554 6730 1 12 . 1 1 62 62 SER CB C 62 63.858 63.858 63.081 0.777 17554 6731 1 12 . 1 1 62 62 SER H H 62 8.158 8.158 8.014 0.144 17554 6732 1 12 . 1 1 63 63 ALA N N 63 125.890 125.890 123.505 2.385 17554 6733 1 12 . 1 1 63 63 ALA HA H 63 4.314 4.314 4.470 -0.156 17554 6734 1 12 . 1 1 63 63 ALA CA C 63 52.926 52.926 52.183 0.743 17554 6735 1 12 . 1 1 63 63 ALA CB C 63 19.216 19.216 19.016 0.200 17554 6736 1 12 . 1 1 63 63 ALA H H 63 8.294 8.294 8.077 0.217 17554 6737 1 12 . 1 1 64 64 GLY N N 64 107.980 107.980 109.746 -1.766 17554 6738 1 12 . 1 1 64 64 GLY CA C 64 45.324 45.324 45.284 0.040 17554 6739 1 12 . 1 1 64 64 GLY H H 64 8.321 8.321 8.348 -0.027 17554 6740 1 12 . 1 1 65 65 ALA N N 65 123.524 123.524 125.823 -2.299 17554 6741 1 12 . 1 1 65 65 ALA HA H 65 4.330 4.330 4.541 -0.211 17554 6742 1 12 . 1 1 65 65 ALA CA C 65 52.589 52.589 51.539 1.050 17554 6743 1 12 . 1 1 65 65 ALA CB C 65 19.438 19.438 20.116 -0.678 17554 6744 1 12 . 1 1 65 65 ALA H H 65 8.088 8.088 8.293 -0.205 17554 6745 1 12 . 1 1 66 66 SER N N 66 115.072 115.072 120.124 -5.052 17554 6746 1 12 . 1 1 66 66 SER HA H 66 4.442 4.442 4.333 0.109 17554 6747 1 12 . 1 1 66 66 SER CA C 66 58.334 58.334 57.478 0.856 17554 6748 1 12 . 1 1 66 66 SER CB C 66 63.804 63.804 62.955 0.850 17554 6749 1 12 . 1 1 66 66 SER H H 66 8.297 8.297 8.521 -0.224 17554 6750 1 12 . 1 1 67 67 VAL N N 67 121.228 121.228 126.152 -4.924 17554 6751 1 12 . 1 1 67 67 VAL HA H 67 4.075 4.075 4.030 0.045 17554 6752 1 12 . 1 1 67 67 VAL CA C 67 62.417 62.417 62.089 0.328 17554 6753 1 12 . 1 1 67 67 VAL CB C 67 32.611 32.611 32.306 0.305 17554 6754 1 12 . 1 1 67 67 VAL H H 67 8.007 8.007 8.162 -0.155 17554 6755 1 12 . 1 1 68 68 PHE N N 68 123.068 123.068 127.931 -4.863 17554 6756 1 12 . 1 1 68 68 PHE HA H 68 4.618 4.618 4.453 0.165 17554 6757 1 12 . 1 1 68 68 PHE CA C 68 57.981 57.981 58.294 -0.313 17554 6758 1 12 . 1 1 68 68 PHE CB C 68 39.618 39.618 39.227 0.391 17554 6759 1 12 . 1 1 68 68 PHE H H 68 8.255 8.255 8.871 -0.616 17554 6760 1 12 . 1 1 69 69 GLY N N 69 110.709 110.709 108.466 2.243 17554 6761 1 12 . 1 1 69 69 GLY CA C 69 45.339 45.339 45.286 0.053 17554 6762 1 12 . 1 1 69 69 GLY H H 69 8.234 8.234 8.278 -0.044 17554 6763 1 12 . 1 1 70 70 ALA N N 70 123.857 123.857 125.018 -1.161 17554 6764 1 12 . 1 1 70 70 ALA HA H 70 4.348 4.348 4.031 0.317 17554 6765 1 12 . 1 1 70 70 ALA CA C 70 52.626 52.626 52.559 0.067 17554 6766 1 12 . 1 1 70 70 ALA CB C 70 19.386 19.386 17.421 1.965 17554 6767 1 12 . 1 1 70 70 ALA H H 70 8.140 8.140 7.949 0.191 17554 6768 1 12 . 1 1 71 71 SER N N 71 115.019 115.019 114.962 0.057 17554 6769 1 12 . 1 1 71 71 SER HA H 71 4.441 4.441 4.281 0.160 17554 6770 1 12 . 1 1 71 71 SER CA C 71 58.592 58.592 58.962 -0.370 17554 6771 1 12 . 1 1 71 71 SER CB C 71 63.975 63.975 63.316 0.659 17554 6772 1 12 . 1 1 71 71 SER H H 71 8.379 8.379 8.115 0.264 17554 6773 1 12 . 1 1 72 72 GLY N N 72 110.640 110.640 116.052 -5.412 17554 6774 1 12 . 1 1 72 72 GLY CA C 72 45.546 45.546 45.124 0.422 17554 6775 1 12 . 1 1 72 72 GLY H H 72 8.395 8.395 8.838 -0.443 17554 6776 1 12 . 1 1 73 73 LEU N N 73 121.191 121.191 122.521 -1.330 17554 6777 1 12 . 1 1 73 73 LEU HA H 73 4.319 4.319 4.037 0.282 17554 6778 1 12 . 1 1 73 73 LEU CA C 73 55.292 55.292 55.190 0.102 17554 6779 1 12 . 1 1 73 73 LEU CB C 73 42.355 42.355 40.171 2.184 17554 6780 1 12 . 1 1 73 73 LEU H H 73 8.088 8.088 8.070 0.018 17554 6781 1 12 . 1 1 74 74 ASP N N 74 120.099 120.099 119.467 0.632 17554 6782 1 12 . 1 1 74 74 ASP HA H 74 4.549 4.549 4.537 0.012 17554 6783 1 12 . 1 1 74 74 ASP CA C 74 54.451 54.451 55.278 -0.827 17554 6784 1 12 . 1 1 74 74 ASP CB C 74 41.071 41.071 41.375 -0.304 17554 6785 1 12 . 1 1 74 74 ASP H H 74 8.312 8.312 8.443 -0.131 17554 6786 1 12 . 1 1 75 75 ASN N N 75 118.544 118.544 121.195 -2.651 17554 6787 1 12 . 1 1 75 75 ASN HA H 75 4.627 4.627 4.630 -0.003 17554 6788 1 12 . 1 1 75 75 ASN CA C 75 53.043 53.043 52.683 0.360 17554 6789 1 12 . 1 1 75 75 ASN CB C 75 38.723 38.723 38.505 0.217 17554 6790 1 12 . 1 1 75 75 ASN H H 75 8.254 8.254 8.564 -0.310 17554 6791 1 12 . 1 1 76 76 GLN N N 76 121.475 121.475 120.546 0.929 17554 6792 1 12 . 1 1 76 76 GLN HA H 76 4.527 4.527 4.403 0.124 17554 6793 1 12 . 1 1 76 76 GLN CA C 76 53.613 53.613 53.838 -0.225 17554 6794 1 12 . 1 1 76 76 GLN CB C 76 28.697 28.697 29.476 -0.779 17554 6795 1 12 . 1 1 76 76 GLN H H 76 8.228 8.228 7.918 0.310 17554 6796 1 12 . 1 1 77 77 PRO HA H 77 4.566 4.566 4.352 0.214 17554 6797 1 12 . 1 1 77 77 PRO CA C 77 61.219 61.219 62.152 -0.933 17554 6798 1 12 . 1 1 77 77 PRO CB C 77 31.453 31.453 31.291 0.161 17554 6799 1 12 . 1 1 78 78 PRO HA H 78 4.449 4.449 4.467 -0.018 17554 6800 1 12 . 1 1 78 78 PRO CA C 78 62.743 62.743 63.018 -0.275 17554 6801 1 12 . 1 1 78 78 PRO CB C 78 32.168 32.168 31.957 0.211 17554 6802 1 12 . 1 1 79 79 GLU N N 79 127.716 127.716 126.397 1.319 17554 6803 1 12 . 1 1 79 79 GLU HA H 79 3.843 3.843 3.840 0.003 17554 6804 1 12 . 1 1 79 79 GLU CA C 79 59.074 59.074 59.868 -0.794 17554 6805 1 12 . 1 1 79 79 GLU CB C 79 28.921 28.921 28.825 0.096 17554 6806 1 12 . 1 1 79 79 GLU H H 79 9.073 9.073 8.891 0.182 17554 6807 1 12 . 1 1 80 80 GLU N N 80 117.579 117.579 120.215 -2.636 17554 6808 1 12 . 1 1 80 80 GLU HA H 80 4.120 4.120 4.150 -0.030 17554 6809 1 12 . 1 1 80 80 GLU CA C 80 59.468 59.468 58.937 0.531 17554 6810 1 12 . 1 1 80 80 GLU CB C 80 28.680 28.680 28.511 0.169 17554 6811 1 12 . 1 1 80 80 GLU H H 80 9.604 9.604 8.940 0.664 17554 6812 1 12 . 1 1 81 81 ILE N N 81 117.488 117.488 121.196 -3.708 17554 6813 1 12 . 1 1 81 81 ILE HA H 81 4.068 4.068 3.862 0.206 17554 6814 1 12 . 1 1 81 81 ILE CA C 81 63.261 63.261 64.393 -1.132 17554 6815 1 12 . 1 1 81 81 ILE CB C 81 37.248 37.248 37.917 -0.669 17554 6816 1 12 . 1 1 81 81 ILE H H 81 7.172 7.172 7.236 -0.064 17554 6817 1 12 . 1 1 82 82 VAL N N 82 121.739 121.739 118.059 3.680 17554 6818 1 12 . 1 1 82 82 VAL HA H 82 3.143 3.143 3.656 -0.513 17554 6819 1 12 . 1 1 82 82 VAL CA C 82 67.507 67.507 66.524 0.983 17554 6820 1 12 . 1 1 82 82 VAL CB C 82 31.816 31.816 31.251 0.565 17554 6821 1 12 . 1 1 82 82 VAL H H 82 7.591 7.591 8.584 -0.993 17554 6822 1 12 . 1 1 83 83 ALA N N 83 118.311 118.311 122.981 -4.670 17554 6823 1 12 . 1 1 83 83 ALA HA H 83 4.341 4.341 4.014 0.327 17554 6824 1 12 . 1 1 83 83 ALA CA C 83 54.186 54.186 55.118 -0.932 17554 6825 1 12 . 1 1 83 83 ALA CB C 83 18.026 18.026 18.230 -0.204 17554 6826 1 12 . 1 1 83 83 ALA H H 83 8.260 8.260 7.767 0.493 17554 6827 1 12 . 1 1 84 84 ILE N N 84 119.780 119.780 119.471 0.309 17554 6828 1 12 . 1 1 84 84 ILE HA H 84 3.737 3.737 3.597 0.140 17554 6829 1 12 . 1 1 84 84 ILE CA C 84 65.095 65.095 65.553 -0.458 17554 6830 1 12 . 1 1 84 84 ILE CB C 84 38.070 38.070 37.995 0.076 17554 6831 1 12 . 1 1 84 84 ILE H H 84 7.298 7.298 7.861 -0.563 17554 6832 1 12 . 1 1 85 85 ILE N N 85 119.424 119.424 119.317 0.107 17554 6833 1 12 . 1 1 85 85 ILE HA H 85 3.884 3.884 3.752 0.132 17554 6834 1 12 . 1 1 85 85 ILE CA C 85 66.207 66.207 65.971 0.236 17554 6835 1 12 . 1 1 85 85 ILE CB C 85 38.043 38.043 37.940 0.103 17554 6836 1 12 . 1 1 85 85 ILE H H 85 7.426 7.426 8.638 -1.212 17554 6837 1 12 . 1 1 86 86 THR N N 86 112.538 112.538 114.330 -1.792 17554 6838 1 12 . 1 1 86 86 THR HA H 86 4.669 4.669 4.327 0.342 17554 6839 1 12 . 1 1 86 86 THR CA C 86 64.995 64.995 65.255 -0.260 17554 6840 1 12 . 1 1 86 86 THR CB C 86 68.293 68.293 68.570 -0.277 17554 6841 1 12 . 1 1 86 86 THR H H 86 9.097 9.097 8.232 0.865 17554 6842 1 12 . 1 1 87 87 SER N N 87 120.681 120.681 116.745 3.936 17554 6843 1 12 . 1 1 87 87 SER HA H 87 4.397 4.397 4.316 0.081 17554 6844 1 12 . 1 1 87 87 SER CA C 87 61.715 61.715 60.407 1.308 17554 6845 1 12 . 1 1 87 87 SER CB C 87 62.804 62.804 63.078 -0.274 17554 6846 1 12 . 1 1 87 87 SER H H 87 8.250 8.250 8.105 0.145 17554 6847 1 12 . 1 1 88 88 MET N N 88 119.753 119.753 117.981 1.772 17554 6848 1 12 . 1 1 88 88 MET HA H 88 4.399 4.399 4.295 0.104 17554 6849 1 12 . 1 1 88 88 MET CA C 88 56.596 56.596 55.938 0.658 17554 6850 1 12 . 1 1 88 88 MET CB C 88 33.330 33.330 32.769 0.561 17554 6851 1 12 . 1 1 88 88 MET H H 88 7.550 7.550 7.948 -0.398 17554 6852 1 12 . 1 1 89 89 GLY N N 89 105.282 105.282 103.319 1.963 17554 6853 1 12 . 1 1 89 89 GLY CA C 89 44.767 44.767 44.618 0.149 17554 6854 1 12 . 1 1 89 89 GLY H H 89 7.866 7.866 7.496 0.370 17554 6855 1 12 . 1 1 90 90 PHE N N 90 118.182 118.182 120.960 -2.778 17554 6856 1 12 . 1 1 90 90 PHE HA H 90 4.721 4.721 4.822 -0.101 17554 6857 1 12 . 1 1 90 90 PHE CA C 90 57.670 57.670 56.462 1.208 17554 6858 1 12 . 1 1 90 90 PHE CB C 90 39.706 39.706 40.314 -0.608 17554 6859 1 12 . 1 1 90 90 PHE H H 90 6.675 6.675 7.567 -0.892 17554 6860 1 12 . 1 1 91 91 GLN N N 91 118.581 118.581 118.023 0.558 17554 6861 1 12 . 1 1 91 91 GLN HA H 91 4.356 4.356 4.640 -0.284 17554 6862 1 12 . 1 1 91 91 GLN CA C 91 55.485 55.485 54.571 0.914 17554 6863 1 12 . 1 1 91 91 GLN CB C 91 29.969 29.969 31.464 -1.495 17554 6864 1 12 . 1 1 91 91 GLN H H 91 8.854 8.854 8.608 0.246 17554 6865 1 12 . 1 1 92 92 ARG N N 92 124.037 124.037 128.116 -4.079 17554 6866 1 12 . 1 1 92 92 ARG HA H 92 3.624 3.624 4.090 -0.466 17554 6867 1 12 . 1 1 92 92 ARG CA C 92 60.847 60.847 60.632 0.215 17554 6868 1 12 . 1 1 92 92 ARG CB C 92 29.579 29.579 29.891 -0.312 17554 6869 1 12 . 1 1 92 92 ARG H H 92 9.124 9.124 8.947 0.177 17554 6870 1 12 . 1 1 93 93 ASN N N 93 115.060 115.060 117.454 -2.394 17554 6871 1 12 . 1 1 93 93 ASN HA H 93 4.395 4.395 4.459 -0.064 17554 6872 1 12 . 1 1 93 93 ASN CA C 93 56.562 56.562 56.331 0.231 17554 6873 1 12 . 1 1 93 93 ASN CB C 93 37.059 37.059 37.877 -0.818 17554 6874 1 12 . 1 1 93 93 ASN H H 93 9.117 9.117 8.624 0.493 17554 6875 1 12 . 1 1 94 94 GLN N N 94 119.980 119.980 120.179 -0.199 17554 6876 1 12 . 1 1 94 94 GLN HA H 94 3.933 3.933 4.159 -0.226 17554 6877 1 12 . 1 1 94 94 GLN CA C 94 58.775 58.775 58.880 -0.105 17554 6878 1 12 . 1 1 94 94 GLN CB C 94 29.075 29.075 28.231 0.844 17554 6879 1 12 . 1 1 94 94 GLN H H 94 7.033 7.033 8.495 -1.462 17554 6880 1 12 . 1 1 95 95 ALA N N 95 120.823 120.823 122.469 -1.646 17554 6881 1 12 . 1 1 95 95 ALA HA H 95 3.761 3.761 3.998 -0.237 17554 6882 1 12 . 1 1 95 95 ALA CA C 95 55.680 55.680 55.282 0.398 17554 6883 1 12 . 1 1 95 95 ALA CB C 95 19.601 19.601 18.452 1.149 17554 6884 1 12 . 1 1 95 95 ALA H H 95 7.996 7.996 8.485 -0.489 17554 6885 1 12 . 1 1 96 96 ILE N N 96 116.250 116.250 119.948 -3.698 17554 6886 1 12 . 1 1 96 96 ILE HA H 96 3.420 3.420 3.518 -0.098 17554 6887 1 12 . 1 1 96 96 ILE CA C 96 65.611 65.611 66.058 -0.447 17554 6888 1 12 . 1 1 96 96 ILE CB C 96 37.869 37.869 37.902 -0.033 17554 6889 1 12 . 1 1 96 96 ILE H H 96 8.408 8.408 8.380 0.028 17554 6890 1 12 . 1 1 97 97 GLN N N 97 118.601 118.601 119.331 -0.730 17554 6891 1 12 . 1 1 97 97 GLN HA H 97 3.734 3.734 3.745 -0.011 17554 6892 1 12 . 1 1 97 97 GLN CA C 97 59.011 59.011 59.323 -0.312 17554 6893 1 12 . 1 1 97 97 GLN CB C 97 28.425 28.425 28.642 -0.218 17554 6894 1 12 . 1 1 97 97 GLN H H 97 7.767 7.767 8.237 -0.470 17554 6895 1 12 . 1 1 98 98 ALA N N 98 121.375 121.375 122.569 -1.194 17554 6896 1 12 . 1 1 98 98 ALA HA H 98 2.748 2.748 3.352 -0.604 17554 6897 1 12 . 1 1 98 98 ALA CA C 98 54.408 54.408 55.015 -0.607 17554 6898 1 12 . 1 1 98 98 ALA CB C 98 20.084 20.084 18.480 1.604 17554 6899 1 12 . 1 1 98 98 ALA H H 98 7.905 7.905 8.214 -0.309 17554 6900 1 12 . 1 1 99 99 LEU N N 99 118.409 118.409 118.957 -0.548 17554 6901 1 12 . 1 1 99 99 LEU HA H 99 3.717 3.717 4.047 -0.330 17554 6902 1 12 . 1 1 99 99 LEU CA C 99 57.529 57.529 57.272 0.257 17554 6903 1 12 . 1 1 99 99 LEU CB C 99 40.714 40.714 41.393 -0.679 17554 6904 1 12 . 1 1 99 99 LEU H H 99 7.938 7.938 8.374 -0.436 17554 6905 1 12 . 1 1 100 100 ARG N N 100 119.771 119.771 119.618 0.153 17554 6906 1 12 . 1 1 100 100 ARG HA H 100 4.107 4.107 3.853 0.254 17554 6907 1 12 . 1 1 100 100 ARG CA C 100 59.182 59.182 59.381 -0.199 17554 6908 1 12 . 1 1 100 100 ARG CB C 100 30.021 30.021 29.852 0.169 17554 6909 1 12 . 1 1 100 100 ARG H H 100 8.248 8.248 8.225 0.023 17554 6910 1 12 . 1 1 101 101 ALA N N 101 119.288 119.288 119.445 -0.157 17554 6911 1 12 . 1 1 101 101 ALA HA H 101 3.983 3.983 4.077 -0.094 17554 6912 1 12 . 1 1 101 101 ALA CA C 101 53.663 53.663 54.249 -0.586 17554 6913 1 12 . 1 1 101 101 ALA CB C 101 17.946 17.946 18.141 -0.195 17554 6914 1 12 . 1 1 101 101 ALA H H 101 7.324 7.324 7.223 0.101 17554 6915 1 12 . 1 1 102 102 THR N N 102 105.233 105.233 107.513 -2.280 17554 6916 1 12 . 1 1 102 102 THR HA H 102 4.429 4.429 4.225 0.204 17554 6917 1 12 . 1 1 102 102 THR CA C 102 60.535 60.535 62.511 -1.976 17554 6918 1 12 . 1 1 102 102 THR CB C 102 71.036 71.036 69.537 1.499 17554 6919 1 12 . 1 1 102 102 THR H H 102 7.113 7.113 7.762 -0.649 17554 6920 1 12 . 1 1 103 103 ASN N N 103 119.293 119.293 118.007 1.286 17554 6921 1 12 . 1 1 103 103 ASN HA H 103 4.343 4.343 4.361 -0.018 17554 6922 1 12 . 1 1 103 103 ASN CA C 103 54.462 54.462 54.176 0.286 17554 6923 1 12 . 1 1 103 103 ASN CB C 103 36.960 36.960 37.137 -0.177 17554 6924 1 12 . 1 1 103 103 ASN H H 103 7.701 7.701 7.901 -0.200 17554 6925 1 12 . 1 1 104 104 ASN N N 104 108.274 108.274 112.020 -3.746 17554 6926 1 12 . 1 1 104 104 ASN HA H 104 3.956 3.956 4.385 -0.429 17554 6927 1 12 . 1 1 104 104 ASN CA C 104 54.757 54.757 54.694 0.063 17554 6928 1 12 . 1 1 104 104 ASN CB C 104 36.151 36.151 37.283 -1.132 17554 6929 1 12 . 1 1 104 104 ASN H H 104 9.048 9.048 8.863 0.185 17554 6930 1 12 . 1 1 105 105 ASN N N 105 118.458 118.458 118.808 -0.350 17554 6931 1 12 . 1 1 105 105 ASN HA H 105 4.728 4.728 4.697 0.031 17554 6932 1 12 . 1 1 105 105 ASN CA C 105 53.081 53.081 52.847 0.234 17554 6933 1 12 . 1 1 105 105 ASN CB C 105 40.405 40.405 39.035 1.370 17554 6934 1 12 . 1 1 105 105 ASN H H 105 7.061 7.061 7.462 -0.401 17554 6935 1 12 . 1 1 106 106 LEU N N 106 128.727 128.727 128.242 0.485 17554 6936 1 12 . 1 1 106 106 LEU HA H 106 3.732 3.732 3.990 -0.258 17554 6937 1 12 . 1 1 106 106 LEU CA C 106 59.307 59.307 59.206 0.101 17554 6938 1 12 . 1 1 106 106 LEU CB C 106 42.071 42.071 42.138 -0.067 17554 6939 1 12 . 1 1 106 106 LEU H H 106 8.718 8.718 8.238 0.480 17554 6940 1 12 . 1 1 107 107 GLU N N 107 117.325 117.325 117.944 -0.619 17554 6941 1 12 . 1 1 107 107 GLU HA H 107 3.890 3.890 3.944 -0.054 17554 6942 1 12 . 1 1 107 107 GLU CA C 107 60.871 60.871 59.798 1.073 17554 6943 1 12 . 1 1 107 107 GLU CB C 107 28.881 28.881 28.921 -0.040 17554 6944 1 12 . 1 1 107 107 GLU H H 107 8.390 8.390 8.390 -0.000 17554 6945 1 12 . 1 1 108 108 ARG N N 108 117.912 117.912 119.742 -1.830 17554 6946 1 12 . 1 1 108 108 ARG HA H 108 4.265 4.265 4.182 0.083 17554 6947 1 12 . 1 1 108 108 ARG CA C 108 58.748 58.748 58.782 -0.034 17554 6948 1 12 . 1 1 108 108 ARG CB C 108 30.650 30.650 30.261 0.389 17554 6949 1 12 . 1 1 108 108 ARG H H 108 8.410 8.410 8.760 -0.350 17554 6950 1 12 . 1 1 109 109 ALA N N 109 127.124 127.124 123.661 3.463 17554 6951 1 12 . 1 1 109 109 ALA HA H 109 3.900 3.900 4.119 -0.219 17554 6952 1 12 . 1 1 109 109 ALA CA C 109 55.518 55.518 55.344 0.174 17554 6953 1 12 . 1 1 109 109 ALA CB C 109 17.772 17.772 18.331 -0.559 17554 6954 1 12 . 1 1 109 109 ALA H H 109 9.083 9.083 8.229 0.854 17554 6955 1 12 . 1 1 110 110 LEU N N 110 118.715 118.715 118.790 -0.075 17554 6956 1 12 . 1 1 110 110 LEU HA H 110 3.777 3.777 3.811 -0.034 17554 6957 1 12 . 1 1 110 110 LEU CA C 110 57.997 57.997 58.150 -0.153 17554 6958 1 12 . 1 1 110 110 LEU CB C 110 40.963 40.963 41.353 -0.390 17554 6959 1 12 . 1 1 110 110 LEU H H 110 8.215 8.215 8.188 0.027 17554 6960 1 12 . 1 1 111 111 ASP N N 111 118.516 118.516 120.012 -1.496 17554 6961 1 12 . 1 1 111 111 ASP HA H 111 4.484 4.484 4.386 0.098 17554 6962 1 12 . 1 1 111 111 ASP CA C 111 57.634 57.634 58.222 -0.589 17554 6963 1 12 . 1 1 111 111 ASP CB C 111 41.026 41.026 41.044 -0.018 17554 6964 1 12 . 1 1 111 111 ASP H H 111 7.400 7.400 8.117 -0.717 17554 6965 1 12 . 1 1 112 112 TRP N N 112 122.780 122.780 121.814 0.966 17554 6966 1 12 . 1 1 112 112 TRP HA H 112 4.097 4.097 4.308 -0.211 17554 6967 1 12 . 1 1 112 112 TRP CA C 112 62.365 62.365 61.209 1.157 17554 6968 1 12 . 1 1 112 112 TRP CB C 112 29.490 29.490 29.754 -0.264 17554 6969 1 12 . 1 1 112 112 TRP H H 112 8.525 8.525 8.297 0.228 17554 6970 1 12 . 1 1 113 113 ILE N N 113 122.469 122.469 117.970 4.499 17554 6971 1 12 . 1 1 113 113 ILE HA H 113 3.575 3.575 3.621 -0.046 17554 6972 1 12 . 1 1 113 113 ILE CA C 113 66.239 66.239 64.731 1.508 17554 6973 1 12 . 1 1 113 113 ILE CB C 113 37.688 37.688 37.459 0.229 17554 6974 1 12 . 1 1 113 113 ILE H H 113 8.618 8.618 8.644 -0.026 17554 6975 1 12 . 1 1 114 114 PHE N N 114 118.665 118.665 120.625 -1.960 17554 6976 1 12 . 1 1 114 114 PHE HA H 114 4.386 4.386 4.238 0.148 17554 6977 1 12 . 1 1 114 114 PHE CA C 114 60.111 60.111 60.292 -0.181 17554 6978 1 12 . 1 1 114 114 PHE CB C 114 38.344 38.344 39.422 -1.078 17554 6979 1 12 . 1 1 114 114 PHE H H 114 8.109 8.109 8.278 -0.169 17554 6980 1 12 . 1 1 115 115 SER N N 115 111.172 111.172 112.533 -1.361 17554 6981 1 12 . 1 1 115 115 SER HA H 115 4.333 4.333 4.003 0.330 17554 6982 1 12 . 1 1 115 115 SER CA C 115 58.593 58.593 58.827 -0.234 17554 6983 1 12 . 1 1 115 115 SER CB C 115 64.067 64.067 62.961 1.106 17554 6984 1 12 . 1 1 115 115 SER H H 115 7.723 7.723 7.551 0.172 17554 6985 1 12 . 1 1 116 116 HIS N N 116 119.686 119.686 120.169 -0.483 17554 6986 1 12 . 1 1 116 116 HIS HA H 116 4.749 4.749 5.052 -0.303 17554 6987 1 12 . 1 1 116 116 HIS CA C 116 54.476 54.476 53.296 1.180 17554 6988 1 12 . 1 1 116 116 HIS CB C 116 27.310 27.310 29.206 -1.896 17554 6989 1 12 . 1 1 116 116 HIS H H 116 7.407 7.407 7.221 0.186 17554 6990 1 12 . 1 1 117 117 PRO HA H 117 4.465 4.465 4.105 0.360 17554 6991 1 12 . 1 1 117 117 PRO CA C 117 64.170 64.170 65.348 -1.178 17554 6992 1 12 . 1 1 117 117 PRO CB C 117 31.939 31.939 32.048 -0.109 17554 6993 1 12 . 1 1 118 118 GLU N N 118 119.986 119.986 113.837 6.149 17554 6994 1 12 . 1 1 118 118 GLU HA H 118 4.338 4.338 4.397 -0.059 17554 6995 1 12 . 1 1 118 118 GLU CA C 118 56.440 56.440 56.663 -0.223 17554 6996 1 12 . 1 1 118 118 GLU CB C 118 29.469 29.469 30.891 -1.422 17554 6997 1 12 . 1 1 118 118 GLU H H 118 8.667 8.667 8.519 0.148 17554 6998 1 12 . 1 1 119 119 PHE N N 119 121.581 121.581 122.172 -0.591 17554 6999 1 12 . 1 1 119 119 PHE HA H 119 4.632 4.632 4.744 -0.112 17554 7000 1 12 . 1 1 119 119 PHE CA C 119 57.981 57.981 57.938 0.043 17554 7001 1 12 . 1 1 119 119 PHE CB C 119 39.805 39.805 39.310 0.495 17554 7002 1 12 . 1 1 119 119 PHE H H 119 8.054 8.054 7.916 0.138 17554 7003 1 12 . 1 1 120 120 GLU N N 120 123.882 123.882 117.715 6.167 17554 7004 1 12 . 1 1 120 120 GLU HA H 120 4.273 4.273 3.914 0.359 17554 7005 1 12 . 1 1 120 120 GLU CA C 120 56.127 56.127 57.539 -1.413 17554 7006 1 12 . 1 1 120 120 GLU CB C 120 30.789 30.789 29.070 1.719 17554 7007 1 12 . 1 1 120 120 GLU H H 120 8.264 8.264 8.487 -0.223 17554 7008 1 12 . 1 1 121 121 GLU N N 121 122.504 122.504 119.804 2.700 17554 7009 1 12 . 1 1 121 121 GLU HA H 121 4.213 4.213 4.443 -0.230 17554 7010 1 12 . 1 1 121 121 GLU CA C 121 56.634 56.634 55.619 1.015 17554 7011 1 12 . 1 1 121 121 GLU CB C 121 30.580 30.580 30.814 -0.234 17554 7012 1 12 . 1 1 121 121 GLU H H 121 8.398 8.398 8.240 0.158 17554 7013 1 12 . 1 1 122 122 ASP N N 122 121.820 121.820 120.281 1.539 17554 7014 1 12 . 1 1 122 122 ASP HA H 122 4.627 4.627 4.479 0.148 17554 7015 1 12 . 1 1 122 122 ASP CA C 122 54.443 54.443 54.250 0.193 17554 7016 1 12 . 1 1 122 122 ASP CB C 122 41.237 41.237 40.569 0.668 17554 7017 1 12 . 1 1 122 122 ASP H H 122 8.478 8.478 8.283 0.195 17554 7018 1 12 . 1 1 123 123 SER N N 123 116.397 116.397 116.343 0.054 17554 7019 1 12 . 1 1 123 123 SER HA H 123 4.392 4.392 4.714 -0.322 17554 7020 1 12 . 1 1 123 123 SER CA C 123 58.605 58.605 57.592 1.013 17554 7021 1 12 . 1 1 123 123 SER CB C 123 64.064 64.064 65.560 -1.496 17554 7022 1 12 . 1 1 123 123 SER H H 123 8.236 8.236 8.072 0.164 17554 7023 1 12 . 1 1 124 124 ASP N N 124 122.070 122.070 120.722 1.348 17554 7024 1 12 . 1 1 124 124 ASP HA H 124 4.599 4.599 4.510 0.089 17554 7025 1 12 . 1 1 124 124 ASP CA C 124 54.501 54.501 54.064 0.437 17554 7026 1 12 . 1 1 124 124 ASP CB C 124 41.106 41.106 40.436 0.670 17554 7027 1 12 . 1 1 124 124 ASP H H 124 8.378 8.378 8.617 -0.239 17554 7028 1 12 . 1 1 125 125 PHE N N 125 120.274 120.274 120.736 -0.462 17554 7029 1 12 . 1 1 125 125 PHE HA H 125 4.623 4.623 4.755 -0.132 17554 7030 1 12 . 1 1 125 125 PHE CA C 125 57.913 57.913 57.261 0.652 17554 7031 1 12 . 1 1 125 125 PHE CB C 125 39.601 39.601 38.509 1.092 17554 7032 1 12 . 1 1 125 125 PHE H H 125 8.049 8.049 7.994 0.055 17554 7033 1 13 . 1 1 2 2 ILE N N 2 117.266 117.266 119.930 -2.664 17554 7034 1 13 . 1 1 2 2 ILE HA H 2 3.919 3.919 3.787 0.132 17554 7035 1 13 . 1 1 2 2 ILE CA C 2 60.653 60.653 61.501 -0.848 17554 7036 1 13 . 1 1 2 2 ILE CB C 2 41.029 41.029 37.668 3.361 17554 7037 1 13 . 1 1 2 2 ILE H H 2 7.746 7.746 8.479 -0.733 17554 7038 1 13 . 1 1 3 3 ASP N N 3 125.895 125.895 124.874 1.021 17554 7039 1 13 . 1 1 3 3 ASP HA H 3 4.606 4.606 4.455 0.151 17554 7040 1 13 . 1 1 3 3 ASP CA C 3 54.349 54.349 54.773 -0.424 17554 7041 1 13 . 1 1 3 3 ASP CB C 3 41.214 41.214 40.813 0.401 17554 7042 1 13 . 1 1 3 3 ASP H H 3 8.328 8.328 8.637 -0.309 17554 7043 1 13 . 1 1 4 4 GLU N N 4 128.620 128.620 125.565 3.055 17554 7044 1 13 . 1 1 4 4 GLU HA H 4 3.948 3.948 4.118 -0.170 17554 7045 1 13 . 1 1 4 4 GLU CA C 4 58.981 58.981 58.348 0.633 17554 7046 1 13 . 1 1 4 4 GLU CB C 4 29.631 29.631 29.423 0.208 17554 7047 1 13 . 1 1 4 4 GLU H H 4 8.991 8.991 8.219 0.772 17554 7048 1 13 . 1 1 5 5 SER N N 5 115.342 115.342 116.247 -0.905 17554 7049 1 13 . 1 1 5 5 SER HA H 5 4.254 4.254 4.173 0.081 17554 7050 1 13 . 1 1 5 5 SER CA C 5 61.961 61.961 62.017 -0.056 17554 7051 1 13 . 1 1 5 5 SER CB C 5 62.222 62.222 62.720 -0.498 17554 7052 1 13 . 1 1 5 5 SER H H 5 8.634 8.634 8.377 0.257 17554 7053 1 13 . 1 1 6 6 SER N N 6 119.418 119.418 117.619 1.799 17554 7054 1 13 . 1 1 6 6 SER HA H 6 4.354 4.354 4.234 0.120 17554 7055 1 13 . 1 1 6 6 SER CA C 6 61.729 61.729 61.995 -0.266 17554 7056 1 13 . 1 1 6 6 SER CB C 6 63.366 63.366 63.049 0.317 17554 7057 1 13 . 1 1 6 6 SER H H 6 7.670 7.670 8.095 -0.425 17554 7058 1 13 . 1 1 7 7 VAL N N 7 120.774 120.774 122.818 -2.044 17554 7059 1 13 . 1 1 7 7 VAL HA H 7 3.234 3.234 3.876 -0.642 17554 7060 1 13 . 1 1 7 7 VAL CA C 7 67.151 67.151 65.179 1.972 17554 7061 1 13 . 1 1 7 7 VAL CB C 7 31.792 31.792 31.871 -0.079 17554 7062 1 13 . 1 1 7 7 VAL H H 7 7.286 7.286 7.671 -0.385 17554 7063 1 13 . 1 1 8 8 MET N N 8 116.159 116.159 118.136 -1.977 17554 7064 1 13 . 1 1 8 8 MET HA H 8 4.356 4.356 4.012 0.344 17554 7065 1 13 . 1 1 8 8 MET CA C 8 57.482 57.482 59.534 -2.052 17554 7066 1 13 . 1 1 8 8 MET CB C 8 31.341 31.341 32.112 -0.771 17554 7067 1 13 . 1 1 8 8 MET H H 8 8.244 8.244 8.411 -0.167 17554 7068 1 13 . 1 1 9 9 GLN N N 9 119.708 119.708 119.174 0.534 17554 7069 1 13 . 1 1 9 9 GLN HA H 9 4.101 4.101 4.150 -0.049 17554 7070 1 13 . 1 1 9 9 GLN CA C 9 59.331 59.331 58.639 0.692 17554 7071 1 13 . 1 1 9 9 GLN CB C 9 28.880 28.880 28.810 0.070 17554 7072 1 13 . 1 1 9 9 GLN H H 9 7.855 7.855 7.737 0.118 17554 7073 1 13 . 1 1 10 10 LEU N N 10 118.986 118.986 120.118 -1.132 17554 7074 1 13 . 1 1 10 10 LEU HA H 10 4.463 4.463 4.181 0.282 17554 7075 1 13 . 1 1 10 10 LEU CA C 10 57.438 57.438 57.481 -0.043 17554 7076 1 13 . 1 1 10 10 LEU CB C 10 42.943 42.943 41.770 1.173 17554 7077 1 13 . 1 1 10 10 LEU H H 10 7.432 7.432 7.681 -0.249 17554 7078 1 13 . 1 1 11 11 ALA N N 11 125.146 125.146 121.720 3.426 17554 7079 1 13 . 1 1 11 11 ALA HA H 11 4.411 4.411 4.607 -0.196 17554 7080 1 13 . 1 1 11 11 ALA CA C 11 55.259 55.259 54.397 0.862 17554 7081 1 13 . 1 1 11 11 ALA CB C 11 17.734 17.734 18.965 -1.231 17554 7082 1 13 . 1 1 11 11 ALA H H 11 8.797 8.797 8.314 0.483 17554 7083 1 13 . 1 1 12 12 GLU N N 12 119.871 119.871 118.435 1.436 17554 7084 1 13 . 1 1 12 12 GLU HA H 12 4.117 4.117 4.059 0.058 17554 7085 1 13 . 1 1 12 12 GLU CA C 12 58.473 58.473 59.049 -0.576 17554 7086 1 13 . 1 1 12 12 GLU CB C 12 29.531 29.531 29.491 0.040 17554 7087 1 13 . 1 1 12 12 GLU H H 12 8.178 8.178 8.567 -0.389 17554 7088 1 13 . 1 1 13 13 MET N N 13 116.292 116.292 114.331 1.961 17554 7089 1 13 . 1 1 13 13 MET HA H 13 4.296 4.296 5.123 -0.827 17554 7090 1 13 . 1 1 13 13 MET CA C 13 56.797 56.797 55.441 1.356 17554 7091 1 13 . 1 1 13 13 MET CB C 13 33.221 33.221 33.859 -0.638 17554 7092 1 13 . 1 1 13 13 MET H H 13 7.619 7.619 7.382 0.237 17554 7093 1 13 . 1 1 14 14 GLY N N 14 104.580 104.580 108.529 -3.949 17554 7094 1 13 . 1 1 14 14 GLY CA C 14 44.860 44.860 45.461 -0.601 17554 7095 1 13 . 1 1 14 14 GLY H H 14 7.873 7.873 7.514 0.359 17554 7096 1 13 . 1 1 15 15 PHE N N 15 118.802 118.802 118.262 0.540 17554 7097 1 13 . 1 1 15 15 PHE HA H 15 5.017 5.017 4.373 0.644 17554 7098 1 13 . 1 1 15 15 PHE CA C 15 56.352 56.352 57.681 -1.329 17554 7099 1 13 . 1 1 15 15 PHE CB C 15 39.395 39.395 38.721 0.674 17554 7100 1 13 . 1 1 15 15 PHE H H 15 6.623 6.623 7.893 -1.270 17554 7101 1 13 . 1 1 16 16 PRO HA H 16 4.530 4.530 4.611 -0.081 17554 7102 1 13 . 1 1 16 16 PRO CA C 16 63.064 63.064 63.186 -0.122 17554 7103 1 13 . 1 1 16 16 PRO CB C 16 32.293 32.293 31.091 1.202 17554 7104 1 13 . 1 1 17 17 LEU N N 17 128.389 128.389 126.605 1.784 17554 7105 1 13 . 1 1 17 17 LEU HA H 17 3.945 3.945 4.387 -0.442 17554 7106 1 13 . 1 1 17 17 LEU CA C 17 59.601 59.601 54.310 5.291 17554 7107 1 13 . 1 1 17 17 LEU CB C 17 42.248 42.248 39.927 2.321 17554 7108 1 13 . 1 1 17 17 LEU H H 17 9.041 9.041 8.167 0.874 17554 7109 1 13 . 1 1 18 18 GLU N N 18 114.837 114.837 123.643 -8.806 17554 7110 1 13 . 1 1 18 18 GLU HA H 18 4.067 4.067 3.985 0.082 17554 7111 1 13 . 1 1 18 18 GLU CA C 18 59.139 59.139 59.621 -0.482 17554 7112 1 13 . 1 1 18 18 GLU CB C 18 28.874 28.874 29.468 -0.594 17554 7113 1 13 . 1 1 18 18 GLU H H 18 9.267 9.267 8.357 0.910 17554 7114 1 13 . 1 1 19 19 ALA N N 19 119.137 119.137 121.697 -2.560 17554 7115 1 13 . 1 1 19 19 ALA HA H 19 3.918 3.918 4.158 -0.240 17554 7116 1 13 . 1 1 19 19 ALA CA C 19 54.872 54.872 55.170 -0.298 17554 7117 1 13 . 1 1 19 19 ALA CB C 19 17.972 17.972 18.225 -0.253 17554 7118 1 13 . 1 1 19 19 ALA H H 19 6.838 6.838 8.532 -1.694 17554 7119 1 13 . 1 1 20 20 CYS N N 20 116.877 116.877 117.169 -0.292 17554 7120 1 13 . 1 1 20 20 CYS HA H 20 3.891 3.891 4.285 -0.394 17554 7121 1 13 . 1 1 20 20 CYS CA C 20 63.356 63.356 62.118 1.238 17554 7122 1 13 . 1 1 20 20 CYS CB C 20 28.018 28.018 27.751 0.267 17554 7123 1 13 . 1 1 20 20 CYS H H 20 7.610 7.610 8.389 -0.779 17554 7124 1 13 . 1 1 21 21 ARG N N 21 117.434 117.434 120.954 -3.520 17554 7125 1 13 . 1 1 21 21 ARG HA H 21 3.696 3.696 4.013 -0.317 17554 7126 1 13 . 1 1 21 21 ARG CA C 21 60.192 60.192 59.203 0.989 17554 7127 1 13 . 1 1 21 21 ARG CB C 21 30.175 30.175 30.079 0.096 17554 7128 1 13 . 1 1 21 21 ARG H H 21 7.965 7.965 7.833 0.132 17554 7129 1 13 . 1 1 22 22 LYS N N 22 117.667 117.667 117.698 -0.031 17554 7130 1 13 . 1 1 22 22 LYS HA H 22 3.412 3.412 4.138 -0.726 17554 7131 1 13 . 1 1 22 22 LYS CA C 22 60.181 60.181 58.901 1.280 17554 7132 1 13 . 1 1 22 22 LYS CB C 22 32.085 32.085 32.070 0.015 17554 7133 1 13 . 1 1 22 22 LYS H H 22 7.392 7.392 8.311 -0.919 17554 7134 1 13 . 1 1 23 23 ALA N N 23 120.670 120.670 123.666 -2.996 17554 7135 1 13 . 1 1 23 23 ALA HA H 23 3.015 3.015 4.322 -1.307 17554 7136 1 13 . 1 1 23 23 ALA CA C 23 54.845 54.845 54.862 -0.017 17554 7137 1 13 . 1 1 23 23 ALA CB C 23 19.900 19.900 18.139 1.761 17554 7138 1 13 . 1 1 23 23 ALA H H 23 8.043 8.043 7.893 0.150 17554 7139 1 13 . 1 1 24 24 VAL N N 24 117.629 117.629 119.882 -2.253 17554 7140 1 13 . 1 1 24 24 VAL HA H 24 3.510 3.510 3.636 -0.126 17554 7141 1 13 . 1 1 24 24 VAL CA C 24 65.665 65.665 66.449 -0.784 17554 7142 1 13 . 1 1 24 24 VAL CB C 24 32.009 32.009 31.648 0.361 17554 7143 1 13 . 1 1 24 24 VAL H H 24 7.381 7.381 8.799 -1.418 17554 7144 1 13 . 1 1 25 25 TYR N N 25 120.392 120.392 121.483 -1.091 17554 7145 1 13 . 1 1 25 25 TYR HA H 25 3.860 3.860 4.014 -0.154 17554 7146 1 13 . 1 1 25 25 TYR CA C 25 62.098 62.098 61.335 0.763 17554 7147 1 13 . 1 1 25 25 TYR CB C 25 38.735 38.735 38.206 0.529 17554 7148 1 13 . 1 1 25 25 TYR H H 25 8.029 8.029 7.514 0.515 17554 7149 1 13 . 1 1 26 26 PHE N N 26 116.460 116.460 116.100 0.360 17554 7150 1 13 . 1 1 26 26 PHE HA H 26 4.181 4.181 3.905 0.276 17554 7151 1 13 . 1 1 26 26 PHE CA C 26 60.345 60.345 60.592 -0.247 17554 7152 1 13 . 1 1 26 26 PHE CB C 26 37.917 37.917 38.490 -0.573 17554 7153 1 13 . 1 1 26 26 PHE H H 26 9.102 9.102 7.686 1.416 17554 7154 1 13 . 1 1 27 27 THR N N 27 106.212 106.212 108.190 -1.978 17554 7155 1 13 . 1 1 27 27 THR HA H 27 4.477 4.477 3.978 0.499 17554 7156 1 13 . 1 1 27 27 THR CA C 27 61.195 61.195 62.981 -1.786 17554 7157 1 13 . 1 1 27 27 THR CB C 27 69.061 69.061 69.109 -0.048 17554 7158 1 13 . 1 1 27 27 THR H H 27 7.050 7.050 7.903 -0.853 17554 7159 1 13 . 1 1 28 28 GLY N N 28 107.275 107.275 111.247 -3.972 17554 7160 1 13 . 1 1 28 28 GLY CA C 28 46.575 46.575 44.770 1.805 17554 7161 1 13 . 1 1 28 28 GLY H H 28 7.278 7.278 7.450 -0.172 17554 7162 1 13 . 1 1 29 29 ASN N N 29 118.189 118.189 114.059 4.130 17554 7163 1 13 . 1 1 29 29 ASN HA H 29 4.342 4.342 4.175 0.167 17554 7164 1 13 . 1 1 29 29 ASN CA C 29 53.614 53.614 54.130 -0.516 17554 7165 1 13 . 1 1 29 29 ASN CB C 29 37.302 37.302 36.561 0.741 17554 7166 1 13 . 1 1 29 29 ASN H H 29 8.704 8.704 8.738 -0.034 17554 7167 1 13 . 1 1 30 30 MET N N 30 119.241 119.241 117.815 1.426 17554 7168 1 13 . 1 1 30 30 MET HA H 30 4.791 4.791 4.284 0.507 17554 7169 1 13 . 1 1 30 30 MET CA C 30 53.943 53.943 57.901 -3.958 17554 7170 1 13 . 1 1 30 30 MET CB C 30 33.263 33.263 33.410 -0.147 17554 7171 1 13 . 1 1 30 30 MET H H 30 8.921 8.921 8.027 0.894 17554 7172 1 13 . 1 1 31 31 GLY N N 31 109.623 109.623 102.335 7.288 17554 7173 1 13 . 1 1 31 31 GLY CA C 31 44.151 44.151 44.724 -0.573 17554 7174 1 13 . 1 1 31 31 GLY H H 31 8.349 8.349 7.330 1.019 17554 7175 1 13 . 1 1 32 32 ALA N N 32 121.096 121.096 121.661 -0.565 17554 7176 1 13 . 1 1 32 32 ALA HA H 32 3.980 3.980 4.196 -0.216 17554 7177 1 13 . 1 1 32 32 ALA CA C 32 55.192 55.192 54.359 0.833 17554 7178 1 13 . 1 1 32 32 ALA CB C 32 19.058 19.058 19.250 -0.192 17554 7179 1 13 . 1 1 32 32 ALA H H 32 8.899 8.899 8.587 0.312 17554 7180 1 13 . 1 1 33 33 GLU N N 33 119.428 119.428 118.540 0.888 17554 7181 1 13 . 1 1 33 33 GLU HA H 33 4.095 4.095 4.080 0.015 17554 7182 1 13 . 1 1 33 33 GLU CA C 33 60.864 60.864 59.428 1.436 17554 7183 1 13 . 1 1 33 33 GLU CB C 33 28.661 28.661 28.480 0.181 17554 7184 1 13 . 1 1 33 33 GLU H H 33 8.705 8.705 8.937 -0.232 17554 7185 1 13 . 1 1 34 34 VAL N N 34 117.216 117.216 116.015 1.201 17554 7186 1 13 . 1 1 34 34 VAL HA H 34 4.062 4.062 4.192 -0.130 17554 7187 1 13 . 1 1 34 34 VAL CA C 34 65.178 65.178 65.402 -0.224 17554 7188 1 13 . 1 1 34 34 VAL CB C 34 31.684 31.684 31.444 0.240 17554 7189 1 13 . 1 1 34 34 VAL H H 34 8.178 8.178 7.876 0.302 17554 7190 1 13 . 1 1 35 35 ALA N N 35 123.635 123.635 122.914 0.721 17554 7191 1 13 . 1 1 35 35 ALA HA H 35 4.289 4.289 4.267 0.022 17554 7192 1 13 . 1 1 35 35 ALA CA C 35 54.787 54.787 54.785 0.002 17554 7193 1 13 . 1 1 35 35 ALA CB C 35 19.794 19.794 18.482 1.312 17554 7194 1 13 . 1 1 35 35 ALA H H 35 7.178 7.178 7.569 -0.391 17554 7195 1 13 . 1 1 36 36 PHE N N 36 120.976 120.976 120.130 0.846 17554 7196 1 13 . 1 1 36 36 PHE HA H 36 4.079 4.079 4.150 -0.071 17554 7197 1 13 . 1 1 36 36 PHE CA C 36 61.339 61.339 61.458 -0.119 17554 7198 1 13 . 1 1 36 36 PHE CB C 36 38.952 38.952 39.265 -0.313 17554 7199 1 13 . 1 1 36 36 PHE H H 36 8.832 8.832 8.897 -0.065 17554 7200 1 13 . 1 1 37 37 ASN N N 37 114.823 114.823 117.086 -2.263 17554 7201 1 13 . 1 1 37 37 ASN HA H 37 4.318 4.318 4.252 0.066 17554 7202 1 13 . 1 1 37 37 ASN CA C 37 56.379 56.379 56.742 -0.363 17554 7203 1 13 . 1 1 37 37 ASN CB C 37 38.288 38.288 38.433 -0.145 17554 7204 1 13 . 1 1 37 37 ASN H H 37 7.591 7.591 8.098 -0.507 17554 7205 1 13 . 1 1 38 38 TRP N N 38 119.984 119.984 122.269 -2.285 17554 7206 1 13 . 1 1 38 38 TRP HA H 38 4.191 4.191 4.495 -0.304 17554 7207 1 13 . 1 1 38 38 TRP CA C 38 62.279 62.279 60.951 1.328 17554 7208 1 13 . 1 1 38 38 TRP CB C 38 30.545 30.545 29.596 0.949 17554 7209 1 13 . 1 1 38 38 TRP H H 38 7.630 7.630 8.009 -0.379 17554 7210 1 13 . 1 1 39 39 ILE N N 39 121.183 121.183 120.947 0.236 17554 7211 1 13 . 1 1 39 39 ILE HA H 39 3.647 3.647 3.952 -0.305 17554 7212 1 13 . 1 1 39 39 ILE CA C 39 65.651 65.651 62.918 2.733 17554 7213 1 13 . 1 1 39 39 ILE CB C 39 36.375 36.375 38.200 -1.825 17554 7214 1 13 . 1 1 39 39 ILE H H 39 8.017 8.017 8.065 -0.048 17554 7215 1 13 . 1 1 40 40 ILE N N 40 115.084 115.084 117.372 -2.288 17554 7216 1 13 . 1 1 40 40 ILE HA H 40 3.665 3.665 3.732 -0.067 17554 7217 1 13 . 1 1 40 40 ILE CA C 40 63.224 63.224 64.201 -0.977 17554 7218 1 13 . 1 1 40 40 ILE CB C 40 36.681 36.681 37.199 -0.518 17554 7219 1 13 . 1 1 40 40 ILE H H 40 7.474 7.474 7.551 -0.077 17554 7220 1 13 . 1 1 41 41 VAL N N 41 116.045 116.045 118.178 -2.133 17554 7221 1 13 . 1 1 41 41 VAL HA H 41 3.661 3.661 3.665 -0.004 17554 7222 1 13 . 1 1 41 41 VAL CA C 41 64.452 64.452 63.882 0.570 17554 7223 1 13 . 1 1 41 41 VAL CB C 41 32.156 32.156 32.089 0.067 17554 7224 1 13 . 1 1 41 41 VAL H H 41 7.054 7.054 7.468 -0.414 17554 7225 1 13 . 1 1 42 42 HIS N N 42 115.595 115.595 116.923 -1.328 17554 7226 1 13 . 1 1 42 42 HIS HA H 42 4.098 4.098 4.606 -0.508 17554 7227 1 13 . 1 1 42 42 HIS CA C 42 57.365 57.365 56.739 0.626 17554 7228 1 13 . 1 1 42 42 HIS CB C 42 28.251 28.251 29.408 -1.157 17554 7229 1 13 . 1 1 42 42 HIS H H 42 7.353 7.353 7.586 -0.233 17554 7230 1 13 . 1 1 43 43 MET N N 43 117.495 117.495 119.104 -1.609 17554 7231 1 13 . 1 1 43 43 MET HA H 43 2.064 2.064 3.897 -1.833 17554 7232 1 13 . 1 1 43 43 MET CA C 43 57.980 57.980 57.143 0.837 17554 7233 1 13 . 1 1 43 43 MET CB C 43 32.258 32.258 31.373 0.885 17554 7234 1 13 . 1 1 43 43 MET H H 43 7.373 7.373 7.542 -0.169 17554 7235 1 13 . 1 1 44 44 GLU N N 44 116.844 116.844 116.767 0.077 17554 7236 1 13 . 1 1 44 44 GLU HA H 44 4.346 4.346 4.116 0.230 17554 7237 1 13 . 1 1 44 44 GLU CA C 44 55.838 55.838 56.209 -0.371 17554 7238 1 13 . 1 1 44 44 GLU CB C 44 29.351 29.351 29.217 0.134 17554 7239 1 13 . 1 1 44 44 GLU H H 44 8.102 8.102 8.083 0.019 17554 7240 1 13 . 1 1 45 45 GLU N N 45 121.925 121.925 122.024 -0.099 17554 7241 1 13 . 1 1 45 45 GLU HA H 45 4.426 4.426 4.430 -0.004 17554 7242 1 13 . 1 1 45 45 GLU CA C 45 55.141 55.141 54.388 0.753 17554 7243 1 13 . 1 1 45 45 GLU CB C 45 28.513 28.513 29.438 -0.925 17554 7244 1 13 . 1 1 45 45 GLU H H 45 7.853 7.853 7.498 0.355 17554 7245 1 13 . 1 1 46 46 PRO HA H 46 4.440 4.440 4.323 0.117 17554 7246 1 13 . 1 1 46 46 PRO CA C 46 65.070 65.070 65.240 -0.170 17554 7247 1 13 . 1 1 46 46 PRO CB C 46 31.850 31.850 32.063 -0.213 17554 7248 1 13 . 1 1 47 47 ASP N N 47 115.051 115.051 116.509 -1.458 17554 7249 1 13 . 1 1 47 47 ASP HA H 47 4.686 4.686 4.719 -0.033 17554 7250 1 13 . 1 1 47 47 ASP CA C 47 52.841 52.841 52.274 0.567 17554 7251 1 13 . 1 1 47 47 ASP CB C 47 39.711 39.711 40.286 -0.575 17554 7252 1 13 . 1 1 47 47 ASP H H 47 8.437 8.437 8.402 0.035 17554 7253 1 13 . 1 1 48 48 PHE N N 48 122.693 122.693 118.658 4.035 17554 7254 1 13 . 1 1 48 48 PHE HA H 48 4.522 4.522 4.282 0.240 17554 7255 1 13 . 1 1 48 48 PHE CA C 48 60.887 60.887 58.771 2.116 17554 7256 1 13 . 1 1 48 48 PHE CB C 48 40.495 40.495 38.875 1.620 17554 7257 1 13 . 1 1 48 48 PHE H H 48 7.695 7.695 7.779 -0.084 17554 7258 1 13 . 1 1 49 49 ALA N N 49 117.185 117.185 118.562 -1.377 17554 7259 1 13 . 1 1 49 49 ALA HA H 49 4.099 4.099 4.165 -0.066 17554 7260 1 13 . 1 1 49 49 ALA CA C 49 51.211 51.211 51.068 0.143 17554 7261 1 13 . 1 1 49 49 ALA CB C 49 19.067 19.067 20.646 -1.579 17554 7262 1 13 . 1 1 49 49 ALA H H 49 8.643 8.643 6.654 1.989 17554 7263 1 13 . 1 1 50 50 GLU N N 50 119.707 119.707 119.747 -0.040 17554 7264 1 13 . 1 1 50 50 GLU HA H 50 4.412 4.412 4.611 -0.199 17554 7265 1 13 . 1 1 50 50 GLU CA C 50 54.755 54.755 53.232 1.523 17554 7266 1 13 . 1 1 50 50 GLU CB C 50 29.274 29.274 29.664 -0.390 17554 7267 1 13 . 1 1 50 50 GLU H H 50 7.412 7.412 8.546 -1.134 17554 7268 1 13 . 1 1 51 51 PRO HA H 51 4.315 4.315 4.664 -0.349 17554 7269 1 13 . 1 1 51 51 PRO CA C 51 62.863 62.863 62.843 0.020 17554 7270 1 13 . 1 1 51 51 PRO CB C 51 32.408 32.408 30.712 1.696 17554 7271 1 13 . 1 1 52 52 LEU N N 52 123.507 123.507 121.469 2.038 17554 7272 1 13 . 1 1 52 52 LEU HA H 52 4.210 4.210 4.512 -0.302 17554 7273 1 13 . 1 1 52 52 LEU CA C 52 55.217 55.217 55.521 -0.304 17554 7274 1 13 . 1 1 52 52 LEU CB C 52 42.918 42.918 41.782 1.136 17554 7275 1 13 . 1 1 52 52 LEU H H 52 8.475 8.475 7.734 0.741 17554 7276 1 13 . 1 1 53 53 THR N N 53 119.005 119.005 115.715 3.290 17554 7277 1 13 . 1 1 53 53 THR HA H 53 4.292 4.292 4.433 -0.141 17554 7278 1 13 . 1 1 53 53 THR CA C 53 61.478 61.478 62.060 -0.582 17554 7279 1 13 . 1 1 53 53 THR CB C 53 69.752 69.752 70.039 -0.287 17554 7280 1 13 . 1 1 53 53 THR H H 53 8.371 8.371 7.750 0.621 17554 7281 1 13 . 1 1 54 54 MET N N 54 124.439 124.439 125.239 -0.800 17554 7282 1 13 . 1 1 54 54 MET HA H 54 4.651 4.651 4.539 0.112 17554 7283 1 13 . 1 1 54 54 MET CA C 54 53.235 53.235 53.619 -0.384 17554 7284 1 13 . 1 1 54 54 MET CB C 54 32.605 32.605 32.261 0.344 17554 7285 1 13 . 1 1 54 54 MET H H 54 8.264 8.264 8.522 -0.258 17554 7286 1 13 . 1 1 55 55 PRO HA H 55 4.368 4.368 4.409 -0.041 17554 7287 1 13 . 1 1 55 55 PRO CA C 55 63.668 63.668 63.059 0.609 17554 7288 1 13 . 1 1 55 55 PRO CB C 55 32.038 32.038 32.139 -0.101 17554 7289 1 13 . 1 1 56 56 GLY N N 56 109.663 109.663 104.419 5.244 17554 7290 1 13 . 1 1 56 56 GLY CA C 56 45.314 45.314 44.321 0.993 17554 7291 1 13 . 1 1 56 56 GLY H H 56 8.461 8.461 7.545 0.916 17554 7292 1 13 . 1 1 57 57 TYR N N 57 120.317 120.317 116.879 3.438 17554 7293 1 13 . 1 1 57 57 TYR HA H 57 4.528 4.528 4.585 -0.057 17554 7294 1 13 . 1 1 57 57 TYR CA C 57 58.132 58.132 57.367 0.765 17554 7295 1 13 . 1 1 57 57 TYR CB C 57 38.958 38.958 39.468 -0.510 17554 7296 1 13 . 1 1 57 57 TYR H H 57 8.033 8.033 7.931 0.102 17554 7297 1 13 . 1 1 58 58 GLY N N 58 111.694 111.694 108.853 2.841 17554 7298 1 13 . 1 1 58 58 GLY CA C 58 45.489 45.489 45.047 0.442 17554 7299 1 13 . 1 1 58 58 GLY H H 58 8.423 8.423 8.602 -0.179 17554 7300 1 13 . 1 1 59 59 GLY N N 59 108.403 108.403 107.590 0.813 17554 7301 1 13 . 1 1 59 59 GLY CA C 59 45.210 45.210 44.811 0.399 17554 7302 1 13 . 1 1 59 59 GLY H H 59 7.871 7.871 8.305 -0.434 17554 7303 1 13 . 1 1 60 60 ALA N N 60 123.835 123.835 122.774 1.061 17554 7304 1 13 . 1 1 60 60 ALA HA H 60 4.294 4.294 4.482 -0.188 17554 7305 1 13 . 1 1 60 60 ALA CA C 60 52.710 52.710 52.209 0.501 17554 7306 1 13 . 1 1 60 60 ALA CB C 60 19.353 19.353 19.570 -0.217 17554 7307 1 13 . 1 1 60 60 ALA H H 60 8.207 8.207 8.378 -0.171 17554 7308 1 13 . 1 1 61 61 ALA N N 61 123.032 123.032 122.075 0.957 17554 7309 1 13 . 1 1 61 61 ALA HA H 61 4.316 4.316 4.180 0.136 17554 7310 1 13 . 1 1 61 61 ALA CA C 61 52.751 52.751 52.166 0.584 17554 7311 1 13 . 1 1 61 61 ALA CB C 61 19.096 19.096 17.995 1.101 17554 7312 1 13 . 1 1 61 61 ALA H H 61 8.331 8.331 7.988 0.343 17554 7313 1 13 . 1 1 62 62 SER N N 62 114.625 114.625 111.854 2.771 17554 7314 1 13 . 1 1 62 62 SER HA H 62 4.406 4.406 4.202 0.204 17554 7315 1 13 . 1 1 62 62 SER CA C 62 58.283 58.283 58.463 -0.180 17554 7316 1 13 . 1 1 62 62 SER CB C 62 63.858 63.858 62.709 1.149 17554 7317 1 13 . 1 1 62 62 SER H H 62 8.158 8.158 8.368 -0.210 17554 7318 1 13 . 1 1 63 63 ALA N N 63 125.890 125.890 124.261 1.629 17554 7319 1 13 . 1 1 63 63 ALA HA H 63 4.314 4.314 4.244 0.070 17554 7320 1 13 . 1 1 63 63 ALA CA C 63 52.926 52.926 53.657 -0.731 17554 7321 1 13 . 1 1 63 63 ALA CB C 63 19.216 19.216 19.235 -0.020 17554 7322 1 13 . 1 1 63 63 ALA H H 63 8.294 8.294 8.114 0.180 17554 7323 1 13 . 1 1 64 64 GLY N N 64 107.980 107.980 107.783 0.197 17554 7324 1 13 . 1 1 64 64 GLY CA C 64 45.324 45.324 44.911 0.413 17554 7325 1 13 . 1 1 64 64 GLY H H 64 8.321 8.321 8.525 -0.204 17554 7326 1 13 . 1 1 65 65 ALA N N 65 123.524 123.524 123.428 0.096 17554 7327 1 13 . 1 1 65 65 ALA HA H 65 4.330 4.330 4.475 -0.145 17554 7328 1 13 . 1 1 65 65 ALA CA C 65 52.589 52.589 52.451 0.138 17554 7329 1 13 . 1 1 65 65 ALA CB C 65 19.438 19.438 19.446 -0.008 17554 7330 1 13 . 1 1 65 65 ALA H H 65 8.088 8.088 7.595 0.493 17554 7331 1 13 . 1 1 66 66 SER N N 66 115.072 115.072 114.135 0.937 17554 7332 1 13 . 1 1 66 66 SER HA H 66 4.442 4.442 4.648 -0.206 17554 7333 1 13 . 1 1 66 66 SER CA C 66 58.334 58.334 57.898 0.436 17554 7334 1 13 . 1 1 66 66 SER CB C 66 63.804 63.804 65.920 -2.116 17554 7335 1 13 . 1 1 66 66 SER H H 66 8.297 8.297 7.853 0.444 17554 7336 1 13 . 1 1 67 67 VAL N N 67 121.228 121.228 123.801 -2.573 17554 7337 1 13 . 1 1 67 67 VAL HA H 67 4.075 4.075 4.346 -0.271 17554 7338 1 13 . 1 1 67 67 VAL CA C 67 62.417 62.417 62.506 -0.089 17554 7339 1 13 . 1 1 67 67 VAL CB C 67 32.611 32.611 31.932 0.679 17554 7340 1 13 . 1 1 67 67 VAL H H 67 8.007 8.007 8.448 -0.441 17554 7341 1 13 . 1 1 68 68 PHE N N 68 123.068 123.068 128.610 -5.542 17554 7342 1 13 . 1 1 68 68 PHE HA H 68 4.618 4.618 4.848 -0.230 17554 7343 1 13 . 1 1 68 68 PHE CA C 68 57.981 57.981 58.152 -0.171 17554 7344 1 13 . 1 1 68 68 PHE CB C 68 39.618 39.618 39.783 -0.165 17554 7345 1 13 . 1 1 68 68 PHE H H 68 8.255 8.255 8.699 -0.444 17554 7346 1 13 . 1 1 69 69 GLY N N 69 110.709 110.709 113.609 -2.900 17554 7347 1 13 . 1 1 69 69 GLY CA C 69 45.339 45.339 45.279 0.060 17554 7348 1 13 . 1 1 69 69 GLY H H 69 8.234 8.234 8.276 -0.042 17554 7349 1 13 . 1 1 70 70 ALA N N 70 123.857 123.857 124.533 -0.676 17554 7350 1 13 . 1 1 70 70 ALA HA H 70 4.348 4.348 4.457 -0.109 17554 7351 1 13 . 1 1 70 70 ALA CA C 70 52.626 52.626 51.098 1.528 17554 7352 1 13 . 1 1 70 70 ALA CB C 70 19.386 19.386 17.677 1.709 17554 7353 1 13 . 1 1 70 70 ALA H H 70 8.140 8.140 7.243 0.897 17554 7354 1 13 . 1 1 71 71 SER N N 71 115.019 115.019 118.612 -3.593 17554 7355 1 13 . 1 1 71 71 SER HA H 71 4.441 4.441 4.234 0.207 17554 7356 1 13 . 1 1 71 71 SER CA C 71 58.592 58.592 59.729 -1.137 17554 7357 1 13 . 1 1 71 71 SER CB C 71 63.975 63.975 63.553 0.422 17554 7358 1 13 . 1 1 71 71 SER H H 71 8.379 8.379 7.851 0.528 17554 7359 1 13 . 1 1 72 72 GLY N N 72 110.640 110.640 110.026 0.614 17554 7360 1 13 . 1 1 72 72 GLY CA C 72 45.546 45.546 44.922 0.624 17554 7361 1 13 . 1 1 72 72 GLY H H 72 8.395 8.395 8.141 0.254 17554 7362 1 13 . 1 1 73 73 LEU N N 73 121.191 121.191 122.528 -1.337 17554 7363 1 13 . 1 1 73 73 LEU HA H 73 4.319 4.319 4.164 0.155 17554 7364 1 13 . 1 1 73 73 LEU CA C 73 55.292 55.292 56.313 -1.021 17554 7365 1 13 . 1 1 73 73 LEU CB C 73 42.355 42.355 42.473 -0.118 17554 7366 1 13 . 1 1 73 73 LEU H H 73 8.088 8.088 8.140 -0.052 17554 7367 1 13 . 1 1 74 74 ASP N N 74 120.099 120.099 118.497 1.602 17554 7368 1 13 . 1 1 74 74 ASP HA H 74 4.549 4.549 4.639 -0.090 17554 7369 1 13 . 1 1 74 74 ASP CA C 74 54.451 54.451 53.844 0.607 17554 7370 1 13 . 1 1 74 74 ASP CB C 74 41.071 41.071 41.531 -0.460 17554 7371 1 13 . 1 1 74 74 ASP H H 74 8.312 8.312 8.157 0.155 17554 7372 1 13 . 1 1 75 75 ASN N N 75 118.544 118.544 123.182 -4.638 17554 7373 1 13 . 1 1 75 75 ASN HA H 75 4.627 4.627 4.653 -0.026 17554 7374 1 13 . 1 1 75 75 ASN CA C 75 53.043 53.043 52.432 0.611 17554 7375 1 13 . 1 1 75 75 ASN CB C 75 38.723 38.723 38.867 -0.144 17554 7376 1 13 . 1 1 75 75 ASN H H 75 8.254 8.254 8.503 -0.249 17554 7377 1 13 . 1 1 76 76 GLN N N 76 121.475 121.475 120.637 0.838 17554 7378 1 13 . 1 1 76 76 GLN HA H 76 4.527 4.527 4.524 0.003 17554 7379 1 13 . 1 1 76 76 GLN CA C 76 53.613 53.613 53.732 -0.119 17554 7380 1 13 . 1 1 76 76 GLN CB C 76 28.697 28.697 29.655 -0.958 17554 7381 1 13 . 1 1 76 76 GLN H H 76 8.228 8.228 8.013 0.215 17554 7382 1 13 . 1 1 77 77 PRO HA H 77 4.566 4.566 4.509 0.057 17554 7383 1 13 . 1 1 77 77 PRO CA C 77 61.219 61.219 61.727 -0.507 17554 7384 1 13 . 1 1 77 77 PRO CB C 77 31.453 31.453 31.092 0.361 17554 7385 1 13 . 1 1 78 78 PRO HA H 78 4.449 4.449 4.465 -0.016 17554 7386 1 13 . 1 1 78 78 PRO CA C 78 62.743 62.743 62.928 -0.185 17554 7387 1 13 . 1 1 78 78 PRO CB C 78 32.168 32.168 31.877 0.291 17554 7388 1 13 . 1 1 79 79 GLU N N 79 127.716 127.716 126.792 0.924 17554 7389 1 13 . 1 1 79 79 GLU HA H 79 3.843 3.843 3.824 0.019 17554 7390 1 13 . 1 1 79 79 GLU CA C 79 59.074 59.074 59.920 -0.846 17554 7391 1 13 . 1 1 79 79 GLU CB C 79 28.921 28.921 28.817 0.104 17554 7392 1 13 . 1 1 79 79 GLU H H 79 9.073 9.073 8.946 0.127 17554 7393 1 13 . 1 1 80 80 GLU N N 80 117.579 117.579 120.272 -2.693 17554 7394 1 13 . 1 1 80 80 GLU HA H 80 4.120 4.120 4.097 0.023 17554 7395 1 13 . 1 1 80 80 GLU CA C 80 59.468 59.468 59.191 0.276 17554 7396 1 13 . 1 1 80 80 GLU CB C 80 28.680 28.680 29.131 -0.451 17554 7397 1 13 . 1 1 80 80 GLU H H 80 9.604 9.604 8.778 0.826 17554 7398 1 13 . 1 1 81 81 ILE N N 81 117.488 117.488 119.594 -2.106 17554 7399 1 13 . 1 1 81 81 ILE HA H 81 4.068 4.068 3.869 0.199 17554 7400 1 13 . 1 1 81 81 ILE CA C 81 63.261 63.261 64.309 -1.048 17554 7401 1 13 . 1 1 81 81 ILE CB C 81 37.248 37.248 38.379 -1.131 17554 7402 1 13 . 1 1 81 81 ILE H H 81 7.172 7.172 7.573 -0.401 17554 7403 1 13 . 1 1 82 82 VAL N N 82 121.739 121.739 118.796 2.943 17554 7404 1 13 . 1 1 82 82 VAL HA H 82 3.143 3.143 3.648 -0.505 17554 7405 1 13 . 1 1 82 82 VAL CA C 82 67.507 67.507 66.618 0.889 17554 7406 1 13 . 1 1 82 82 VAL CB C 82 31.816 31.816 31.282 0.534 17554 7407 1 13 . 1 1 82 82 VAL H H 82 7.591 7.591 8.566 -0.975 17554 7408 1 13 . 1 1 83 83 ALA N N 83 118.311 118.311 122.979 -4.668 17554 7409 1 13 . 1 1 83 83 ALA HA H 83 4.341 4.341 4.014 0.327 17554 7410 1 13 . 1 1 83 83 ALA CA C 83 54.186 54.186 55.151 -0.966 17554 7411 1 13 . 1 1 83 83 ALA CB C 83 18.026 18.026 18.233 -0.207 17554 7412 1 13 . 1 1 83 83 ALA H H 83 8.260 8.260 7.940 0.320 17554 7413 1 13 . 1 1 84 84 ILE N N 84 119.780 119.780 119.296 0.484 17554 7414 1 13 . 1 1 84 84 ILE HA H 84 3.737 3.737 3.615 0.122 17554 7415 1 13 . 1 1 84 84 ILE CA C 84 65.095 65.095 65.478 -0.383 17554 7416 1 13 . 1 1 84 84 ILE CB C 84 38.070 38.070 38.029 0.041 17554 7417 1 13 . 1 1 84 84 ILE H H 84 7.298 7.298 7.615 -0.317 17554 7418 1 13 . 1 1 85 85 ILE N N 85 119.424 119.424 119.511 -0.087 17554 7419 1 13 . 1 1 85 85 ILE HA H 85 3.884 3.884 3.761 0.123 17554 7420 1 13 . 1 1 85 85 ILE CA C 85 66.207 66.207 65.965 0.242 17554 7421 1 13 . 1 1 85 85 ILE CB C 85 38.043 38.043 37.959 0.084 17554 7422 1 13 . 1 1 85 85 ILE H H 85 7.426 7.426 8.581 -1.155 17554 7423 1 13 . 1 1 86 86 THR N N 86 112.538 112.538 114.577 -2.039 17554 7424 1 13 . 1 1 86 86 THR HA H 86 4.669 4.669 4.292 0.377 17554 7425 1 13 . 1 1 86 86 THR CA C 86 64.995 64.995 65.333 -0.338 17554 7426 1 13 . 1 1 86 86 THR CB C 86 68.293 68.293 68.461 -0.168 17554 7427 1 13 . 1 1 86 86 THR H H 86 9.097 9.097 8.262 0.835 17554 7428 1 13 . 1 1 87 87 SER N N 87 120.681 120.681 116.514 4.167 17554 7429 1 13 . 1 1 87 87 SER HA H 87 4.397 4.397 4.292 0.105 17554 7430 1 13 . 1 1 87 87 SER CA C 87 61.715 61.715 60.807 0.908 17554 7431 1 13 . 1 1 87 87 SER CB C 87 62.804 62.804 63.214 -0.410 17554 7432 1 13 . 1 1 87 87 SER H H 87 8.250 8.250 7.877 0.373 17554 7433 1 13 . 1 1 88 88 MET N N 88 119.753 119.753 117.861 1.892 17554 7434 1 13 . 1 1 88 88 MET HA H 88 4.399 4.399 4.265 0.134 17554 7435 1 13 . 1 1 88 88 MET CA C 88 56.596 56.596 55.885 0.711 17554 7436 1 13 . 1 1 88 88 MET CB C 88 33.330 33.330 32.766 0.564 17554 7437 1 13 . 1 1 88 88 MET H H 88 7.550 7.550 7.902 -0.352 17554 7438 1 13 . 1 1 89 89 GLY N N 89 105.282 105.282 103.433 1.849 17554 7439 1 13 . 1 1 89 89 GLY CA C 89 44.767 44.767 44.581 0.186 17554 7440 1 13 . 1 1 89 89 GLY H H 89 7.866 7.866 7.485 0.381 17554 7441 1 13 . 1 1 90 90 PHE N N 90 118.182 118.182 120.179 -1.997 17554 7442 1 13 . 1 1 90 90 PHE HA H 90 4.721 4.721 4.997 -0.276 17554 7443 1 13 . 1 1 90 90 PHE CA C 90 57.670 57.670 55.956 1.714 17554 7444 1 13 . 1 1 90 90 PHE CB C 90 39.706 39.706 40.700 -0.994 17554 7445 1 13 . 1 1 90 90 PHE H H 90 6.675 6.675 7.761 -1.086 17554 7446 1 13 . 1 1 91 91 GLN N N 91 118.581 118.581 117.573 1.008 17554 7447 1 13 . 1 1 91 91 GLN HA H 91 4.356 4.356 4.531 -0.175 17554 7448 1 13 . 1 1 91 91 GLN CA C 91 55.485 55.485 55.475 0.010 17554 7449 1 13 . 1 1 91 91 GLN CB C 91 29.969 29.969 30.384 -0.415 17554 7450 1 13 . 1 1 91 91 GLN H H 91 8.854 8.854 8.535 0.319 17554 7451 1 13 . 1 1 92 92 ARG N N 92 124.037 124.037 125.420 -1.383 17554 7452 1 13 . 1 1 92 92 ARG HA H 92 3.624 3.624 4.103 -0.479 17554 7453 1 13 . 1 1 92 92 ARG CA C 92 60.847 60.847 60.567 0.280 17554 7454 1 13 . 1 1 92 92 ARG CB C 92 29.579 29.579 30.153 -0.574 17554 7455 1 13 . 1 1 92 92 ARG H H 92 9.124 9.124 8.900 0.224 17554 7456 1 13 . 1 1 93 93 ASN N N 93 115.060 115.060 117.760 -2.700 17554 7457 1 13 . 1 1 93 93 ASN HA H 93 4.395 4.395 4.474 -0.079 17554 7458 1 13 . 1 1 93 93 ASN CA C 93 56.562 56.562 56.376 0.186 17554 7459 1 13 . 1 1 93 93 ASN CB C 93 37.059 37.059 37.937 -0.878 17554 7460 1 13 . 1 1 93 93 ASN H H 93 9.117 9.117 8.652 0.465 17554 7461 1 13 . 1 1 94 94 GLN N N 94 119.980 119.980 119.533 0.447 17554 7462 1 13 . 1 1 94 94 GLN HA H 94 3.933 3.933 4.126 -0.193 17554 7463 1 13 . 1 1 94 94 GLN CA C 94 58.775 58.775 59.233 -0.458 17554 7464 1 13 . 1 1 94 94 GLN CB C 94 29.075 29.075 28.482 0.593 17554 7465 1 13 . 1 1 94 94 GLN H H 94 7.033 7.033 8.636 -1.603 17554 7466 1 13 . 1 1 95 95 ALA N N 95 120.823 120.823 122.888 -2.065 17554 7467 1 13 . 1 1 95 95 ALA HA H 95 3.761 3.761 4.018 -0.257 17554 7468 1 13 . 1 1 95 95 ALA CA C 95 55.680 55.680 55.189 0.491 17554 7469 1 13 . 1 1 95 95 ALA CB C 95 19.601 19.601 18.492 1.109 17554 7470 1 13 . 1 1 95 95 ALA H H 95 7.996 7.996 8.221 -0.225 17554 7471 1 13 . 1 1 96 96 ILE N N 96 116.250 116.250 120.193 -3.943 17554 7472 1 13 . 1 1 96 96 ILE HA H 96 3.420 3.420 3.518 -0.098 17554 7473 1 13 . 1 1 96 96 ILE CA C 96 65.611 65.611 66.084 -0.473 17554 7474 1 13 . 1 1 96 96 ILE CB C 96 37.869 37.869 37.894 -0.025 17554 7475 1 13 . 1 1 96 96 ILE H H 96 8.408 8.408 8.397 0.011 17554 7476 1 13 . 1 1 97 97 GLN N N 97 118.601 118.601 119.342 -0.741 17554 7477 1 13 . 1 1 97 97 GLN HA H 97 3.734 3.734 3.796 -0.062 17554 7478 1 13 . 1 1 97 97 GLN CA C 97 59.011 59.011 59.441 -0.430 17554 7479 1 13 . 1 1 97 97 GLN CB C 97 28.425 28.425 28.646 -0.221 17554 7480 1 13 . 1 1 97 97 GLN H H 97 7.767 7.767 8.444 -0.677 17554 7481 1 13 . 1 1 98 98 ALA N N 98 121.375 121.375 122.637 -1.262 17554 7482 1 13 . 1 1 98 98 ALA HA H 98 2.748 2.748 3.781 -1.033 17554 7483 1 13 . 1 1 98 98 ALA CA C 98 54.408 54.408 55.126 -0.718 17554 7484 1 13 . 1 1 98 98 ALA CB C 98 20.084 20.084 18.453 1.631 17554 7485 1 13 . 1 1 98 98 ALA H H 98 7.905 7.905 8.068 -0.163 17554 7486 1 13 . 1 1 99 99 LEU N N 99 118.409 118.409 119.040 -0.631 17554 7487 1 13 . 1 1 99 99 LEU HA H 99 3.717 3.717 4.061 -0.344 17554 7488 1 13 . 1 1 99 99 LEU CA C 99 57.529 57.529 57.209 0.320 17554 7489 1 13 . 1 1 99 99 LEU CB C 99 40.714 40.714 41.409 -0.695 17554 7490 1 13 . 1 1 99 99 LEU H H 99 7.938 7.938 8.418 -0.480 17554 7491 1 13 . 1 1 100 100 ARG N N 100 119.771 119.771 119.307 0.464 17554 7492 1 13 . 1 1 100 100 ARG HA H 100 4.107 4.107 3.810 0.297 17554 7493 1 13 . 1 1 100 100 ARG CA C 100 59.182 59.182 59.483 -0.300 17554 7494 1 13 . 1 1 100 100 ARG CB C 100 30.021 30.021 29.843 0.178 17554 7495 1 13 . 1 1 100 100 ARG H H 100 8.248 8.248 8.319 -0.071 17554 7496 1 13 . 1 1 101 101 ALA N N 101 119.288 119.288 119.735 -0.447 17554 7497 1 13 . 1 1 101 101 ALA HA H 101 3.983 3.983 3.895 0.088 17554 7498 1 13 . 1 1 101 101 ALA CA C 101 53.663 53.663 53.755 -0.092 17554 7499 1 13 . 1 1 101 101 ALA CB C 101 17.946 17.946 18.122 -0.176 17554 7500 1 13 . 1 1 101 101 ALA H H 101 7.324 7.324 7.228 0.096 17554 7501 1 13 . 1 1 102 102 THR N N 102 105.233 105.233 108.313 -3.080 17554 7502 1 13 . 1 1 102 102 THR HA H 102 4.429 4.429 4.040 0.389 17554 7503 1 13 . 1 1 102 102 THR CA C 102 60.535 60.535 62.552 -2.017 17554 7504 1 13 . 1 1 102 102 THR CB C 102 71.036 71.036 69.476 1.560 17554 7505 1 13 . 1 1 102 102 THR H H 102 7.113 7.113 7.617 -0.504 17554 7506 1 13 . 1 1 103 103 ASN N N 103 119.293 119.293 117.761 1.532 17554 7507 1 13 . 1 1 103 103 ASN HA H 103 4.343 4.343 4.272 0.071 17554 7508 1 13 . 1 1 103 103 ASN CA C 103 54.462 54.462 54.347 0.115 17554 7509 1 13 . 1 1 103 103 ASN CB C 103 36.960 36.960 36.714 0.246 17554 7510 1 13 . 1 1 103 103 ASN H H 103 7.701 7.701 7.781 -0.080 17554 7511 1 13 . 1 1 104 104 ASN N N 104 108.274 108.274 110.901 -2.627 17554 7512 1 13 . 1 1 104 104 ASN HA H 104 3.956 3.956 4.205 -0.249 17554 7513 1 13 . 1 1 104 104 ASN CA C 104 54.757 54.757 54.843 -0.086 17554 7514 1 13 . 1 1 104 104 ASN CB C 104 36.151 36.151 37.052 -0.901 17554 7515 1 13 . 1 1 104 104 ASN H H 104 9.048 9.048 8.810 0.238 17554 7516 1 13 . 1 1 105 105 ASN N N 105 118.458 118.458 118.110 0.348 17554 7517 1 13 . 1 1 105 105 ASN HA H 105 4.728 4.728 4.755 -0.027 17554 7518 1 13 . 1 1 105 105 ASN CA C 105 53.081 53.081 52.168 0.913 17554 7519 1 13 . 1 1 105 105 ASN CB C 105 40.405 40.405 39.249 1.155 17554 7520 1 13 . 1 1 105 105 ASN H H 105 7.061 7.061 7.461 -0.400 17554 7521 1 13 . 1 1 106 106 LEU N N 106 128.727 128.727 128.113 0.614 17554 7522 1 13 . 1 1 106 106 LEU HA H 106 3.732 3.732 3.955 -0.223 17554 7523 1 13 . 1 1 106 106 LEU CA C 106 59.307 59.307 59.179 0.128 17554 7524 1 13 . 1 1 106 106 LEU CB C 106 42.071 42.071 42.148 -0.077 17554 7525 1 13 . 1 1 106 106 LEU H H 106 8.718 8.718 8.375 0.343 17554 7526 1 13 . 1 1 107 107 GLU N N 107 117.325 117.325 118.323 -0.998 17554 7527 1 13 . 1 1 107 107 GLU HA H 107 3.890 3.890 3.977 -0.087 17554 7528 1 13 . 1 1 107 107 GLU CA C 107 60.871 60.871 59.821 1.050 17554 7529 1 13 . 1 1 107 107 GLU CB C 107 28.881 28.881 28.404 0.477 17554 7530 1 13 . 1 1 107 107 GLU H H 107 8.390 8.390 8.676 -0.286 17554 7531 1 13 . 1 1 108 108 ARG N N 108 117.912 117.912 120.354 -2.442 17554 7532 1 13 . 1 1 108 108 ARG HA H 108 4.265 4.265 4.269 -0.004 17554 7533 1 13 . 1 1 108 108 ARG CA C 108 58.748 58.748 58.593 0.156 17554 7534 1 13 . 1 1 108 108 ARG CB C 108 30.650 30.650 29.875 0.775 17554 7535 1 13 . 1 1 108 108 ARG H H 108 8.410 8.410 8.295 0.115 17554 7536 1 13 . 1 1 109 109 ALA N N 109 127.124 127.124 123.594 3.530 17554 7537 1 13 . 1 1 109 109 ALA HA H 109 3.900 3.900 4.103 -0.203 17554 7538 1 13 . 1 1 109 109 ALA CA C 109 55.518 55.518 55.314 0.204 17554 7539 1 13 . 1 1 109 109 ALA CB C 109 17.772 17.772 18.353 -0.581 17554 7540 1 13 . 1 1 109 109 ALA H H 109 9.083 9.083 8.268 0.815 17554 7541 1 13 . 1 1 110 110 LEU N N 110 118.715 118.715 118.881 -0.166 17554 7542 1 13 . 1 1 110 110 LEU HA H 110 3.777 3.777 3.777 0.000 17554 7543 1 13 . 1 1 110 110 LEU CA C 110 57.997 57.997 58.113 -0.116 17554 7544 1 13 . 1 1 110 110 LEU CB C 110 40.963 40.963 41.300 -0.337 17554 7545 1 13 . 1 1 110 110 LEU H H 110 8.215 8.215 8.265 -0.050 17554 7546 1 13 . 1 1 111 111 ASP N N 111 118.516 118.516 119.939 -1.423 17554 7547 1 13 . 1 1 111 111 ASP HA H 111 4.484 4.484 4.371 0.113 17554 7548 1 13 . 1 1 111 111 ASP CA C 111 57.634 57.634 58.033 -0.399 17554 7549 1 13 . 1 1 111 111 ASP CB C 111 41.026 41.026 41.116 -0.090 17554 7550 1 13 . 1 1 111 111 ASP H H 111 7.400 7.400 8.281 -0.881 17554 7551 1 13 . 1 1 112 112 TRP N N 112 122.780 122.780 121.114 1.666 17554 7552 1 13 . 1 1 112 112 TRP HA H 112 4.097 4.097 4.364 -0.267 17554 7553 1 13 . 1 1 112 112 TRP CA C 112 62.365 62.365 60.578 1.787 17554 7554 1 13 . 1 1 112 112 TRP CB C 112 29.490 29.490 29.739 -0.249 17554 7555 1 13 . 1 1 112 112 TRP H H 112 8.525 8.525 8.305 0.220 17554 7556 1 13 . 1 1 113 113 ILE N N 113 122.469 122.469 116.555 5.914 17554 7557 1 13 . 1 1 113 113 ILE HA H 113 3.575 3.575 3.701 -0.126 17554 7558 1 13 . 1 1 113 113 ILE CA C 113 66.239 66.239 64.081 2.158 17554 7559 1 13 . 1 1 113 113 ILE CB C 113 37.688 37.688 37.774 -0.086 17554 7560 1 13 . 1 1 113 113 ILE H H 113 8.618 8.618 8.129 0.489 17554 7561 1 13 . 1 1 114 114 PHE N N 114 118.665 118.665 120.743 -2.078 17554 7562 1 13 . 1 1 114 114 PHE HA H 114 4.386 4.386 4.202 0.184 17554 7563 1 13 . 1 1 114 114 PHE CA C 114 60.111 60.111 60.447 -0.336 17554 7564 1 13 . 1 1 114 114 PHE CB C 114 38.344 38.344 39.419 -1.075 17554 7565 1 13 . 1 1 114 114 PHE H H 114 8.109 8.109 8.420 -0.311 17554 7566 1 13 . 1 1 115 115 SER N N 115 111.172 111.172 112.383 -1.211 17554 7567 1 13 . 1 1 115 115 SER HA H 115 4.333 4.333 4.208 0.125 17554 7568 1 13 . 1 1 115 115 SER CA C 115 58.593 58.593 58.855 -0.262 17554 7569 1 13 . 1 1 115 115 SER CB C 115 64.067 64.067 63.188 0.879 17554 7570 1 13 . 1 1 115 115 SER H H 115 7.723 7.723 7.658 0.065 17554 7571 1 13 . 1 1 116 116 HIS N N 116 119.686 119.686 121.599 -1.913 17554 7572 1 13 . 1 1 116 116 HIS HA H 116 4.749 4.749 5.157 -0.408 17554 7573 1 13 . 1 1 116 116 HIS CA C 116 54.476 54.476 53.283 1.193 17554 7574 1 13 . 1 1 116 116 HIS CB C 116 27.310 27.310 30.916 -3.606 17554 7575 1 13 . 1 1 116 116 HIS H H 116 7.407 7.407 7.605 -0.198 17554 7576 1 13 . 1 1 117 117 PRO HA H 117 4.465 4.465 4.140 0.325 17554 7577 1 13 . 1 1 117 117 PRO CA C 117 64.170 64.170 64.825 -0.655 17554 7578 1 13 . 1 1 117 117 PRO CB C 117 31.939 31.939 32.246 -0.307 17554 7579 1 13 . 1 1 118 118 GLU N N 118 119.986 119.986 112.640 7.346 17554 7580 1 13 . 1 1 118 118 GLU HA H 118 4.338 4.338 4.095 0.243 17554 7581 1 13 . 1 1 118 118 GLU CA C 118 56.440 56.440 56.283 0.157 17554 7582 1 13 . 1 1 118 118 GLU CB C 118 29.469 29.469 30.302 -0.833 17554 7583 1 13 . 1 1 118 118 GLU H H 118 8.667 8.667 8.182 0.485 17554 7584 1 13 . 1 1 119 119 PHE N N 119 121.581 121.581 120.541 1.040 17554 7585 1 13 . 1 1 119 119 PHE HA H 119 4.632 4.632 4.605 0.027 17554 7586 1 13 . 1 1 119 119 PHE CA C 119 57.981 57.981 57.718 0.263 17554 7587 1 13 . 1 1 119 119 PHE CB C 119 39.805 39.805 40.390 -0.585 17554 7588 1 13 . 1 1 119 119 PHE H H 119 8.054 8.054 7.787 0.267 17554 7589 1 13 . 1 1 120 120 GLU N N 120 123.882 123.882 119.884 3.998 17554 7590 1 13 . 1 1 120 120 GLU HA H 120 4.273 4.273 4.042 0.231 17554 7591 1 13 . 1 1 120 120 GLU CA C 120 56.127 56.127 56.840 -0.713 17554 7592 1 13 . 1 1 120 120 GLU CB C 120 30.789 30.789 29.180 1.609 17554 7593 1 13 . 1 1 120 120 GLU H H 120 8.264 8.264 8.051 0.213 17554 7594 1 13 . 1 1 121 121 GLU N N 121 122.504 122.504 124.601 -2.097 17554 7595 1 13 . 1 1 121 121 GLU HA H 121 4.213 4.213 4.331 -0.118 17554 7596 1 13 . 1 1 121 121 GLU CA C 121 56.634 56.634 56.216 0.418 17554 7597 1 13 . 1 1 121 121 GLU CB C 121 30.580 30.580 29.901 0.679 17554 7598 1 13 . 1 1 121 121 GLU H H 121 8.398 8.398 8.576 -0.178 17554 7599 1 13 . 1 1 122 122 ASP N N 122 121.820 121.820 123.868 -2.048 17554 7600 1 13 . 1 1 122 122 ASP HA H 122 4.627 4.627 4.617 0.010 17554 7601 1 13 . 1 1 122 122 ASP CA C 122 54.443 54.443 54.485 -0.042 17554 7602 1 13 . 1 1 122 122 ASP CB C 122 41.237 41.237 40.879 0.358 17554 7603 1 13 . 1 1 122 122 ASP H H 122 8.478 8.478 8.769 -0.291 17554 7604 1 13 . 1 1 123 123 SER N N 123 116.397 116.397 114.544 1.853 17554 7605 1 13 . 1 1 123 123 SER HA H 123 4.392 4.392 4.814 -0.422 17554 7606 1 13 . 1 1 123 123 SER CA C 123 58.605 58.605 57.656 0.950 17554 7607 1 13 . 1 1 123 123 SER CB C 123 64.064 64.064 63.024 1.040 17554 7608 1 13 . 1 1 123 123 SER H H 123 8.236 8.236 8.179 0.057 17554 7609 1 13 . 1 1 124 124 ASP N N 124 122.070 122.070 121.884 0.186 17554 7610 1 13 . 1 1 124 124 ASP HA H 124 4.599 4.599 4.666 -0.067 17554 7611 1 13 . 1 1 124 124 ASP CA C 124 54.501 54.501 54.281 0.221 17554 7612 1 13 . 1 1 124 124 ASP CB C 124 41.106 41.106 40.925 0.181 17554 7613 1 13 . 1 1 124 124 ASP H H 124 8.378 8.378 8.300 0.078 17554 7614 1 13 . 1 1 125 125 PHE N N 125 120.274 120.274 121.114 -0.840 17554 7615 1 13 . 1 1 125 125 PHE HA H 125 4.623 4.623 4.515 0.108 17554 7616 1 13 . 1 1 125 125 PHE CA C 125 57.913 57.913 58.705 -0.792 17554 7617 1 13 . 1 1 125 125 PHE CB C 125 39.601 39.601 39.549 0.052 17554 7618 1 13 . 1 1 125 125 PHE H H 125 8.049 8.049 8.291 -0.242 17554 7619 1 14 . 1 1 2 2 ILE N N 2 117.266 117.266 121.641 -4.375 17554 7620 1 14 . 1 1 2 2 ILE HA H 2 3.919 3.919 4.338 -0.419 17554 7621 1 14 . 1 1 2 2 ILE CA C 2 60.653 60.653 60.545 0.108 17554 7622 1 14 . 1 1 2 2 ILE CB C 2 41.029 41.029 41.586 -0.557 17554 7623 1 14 . 1 1 2 2 ILE H H 2 7.746 7.746 8.025 -0.279 17554 7624 1 14 . 1 1 3 3 ASP N N 3 125.895 125.895 128.156 -2.261 17554 7625 1 14 . 1 1 3 3 ASP HA H 3 4.606 4.606 4.561 0.045 17554 7626 1 14 . 1 1 3 3 ASP CA C 3 54.349 54.349 55.226 -0.877 17554 7627 1 14 . 1 1 3 3 ASP CB C 3 41.214 41.214 39.459 1.755 17554 7628 1 14 . 1 1 3 3 ASP H H 3 8.328 8.328 8.920 -0.592 17554 7629 1 14 . 1 1 4 4 GLU N N 4 128.620 128.620 122.307 6.313 17554 7630 1 14 . 1 1 4 4 GLU HA H 4 3.948 3.948 4.005 -0.057 17554 7631 1 14 . 1 1 4 4 GLU CA C 4 58.981 58.981 58.673 0.308 17554 7632 1 14 . 1 1 4 4 GLU CB C 4 29.631 29.631 29.611 0.020 17554 7633 1 14 . 1 1 4 4 GLU H H 4 8.991 8.991 8.516 0.475 17554 7634 1 14 . 1 1 5 5 SER N N 5 115.342 115.342 115.609 -0.267 17554 7635 1 14 . 1 1 5 5 SER HA H 5 4.254 4.254 4.217 0.037 17554 7636 1 14 . 1 1 5 5 SER CA C 5 61.961 61.961 61.852 0.109 17554 7637 1 14 . 1 1 5 5 SER CB C 5 62.222 62.222 62.448 -0.226 17554 7638 1 14 . 1 1 5 5 SER H H 5 8.634 8.634 8.386 0.248 17554 7639 1 14 . 1 1 6 6 SER N N 6 119.418 119.418 117.528 1.890 17554 7640 1 14 . 1 1 6 6 SER HA H 6 4.354 4.354 4.312 0.042 17554 7641 1 14 . 1 1 6 6 SER CA C 6 61.729 61.729 61.584 0.145 17554 7642 1 14 . 1 1 6 6 SER CB C 6 63.366 63.366 62.983 0.383 17554 7643 1 14 . 1 1 6 6 SER H H 6 7.670 7.670 7.970 -0.300 17554 7644 1 14 . 1 1 7 7 VAL N N 7 120.774 120.774 122.768 -1.994 17554 7645 1 14 . 1 1 7 7 VAL HA H 7 3.234 3.234 3.885 -0.651 17554 7646 1 14 . 1 1 7 7 VAL CA C 7 67.151 67.151 65.407 1.744 17554 7647 1 14 . 1 1 7 7 VAL CB C 7 31.792 31.792 31.840 -0.048 17554 7648 1 14 . 1 1 7 7 VAL H H 7 7.286 7.286 7.670 -0.384 17554 7649 1 14 . 1 1 8 8 MET N N 8 116.159 116.159 118.088 -1.929 17554 7650 1 14 . 1 1 8 8 MET HA H 8 4.356 4.356 4.127 0.229 17554 7651 1 14 . 1 1 8 8 MET CA C 8 57.482 57.482 57.411 0.071 17554 7652 1 14 . 1 1 8 8 MET CB C 8 31.341 31.341 31.124 0.217 17554 7653 1 14 . 1 1 8 8 MET H H 8 8.244 8.244 8.313 -0.069 17554 7654 1 14 . 1 1 9 9 GLN N N 9 119.708 119.708 119.650 0.058 17554 7655 1 14 . 1 1 9 9 GLN HA H 9 4.101 4.101 4.138 -0.037 17554 7656 1 14 . 1 1 9 9 GLN CA C 9 59.331 59.331 58.674 0.657 17554 7657 1 14 . 1 1 9 9 GLN CB C 9 28.880 28.880 28.843 0.037 17554 7658 1 14 . 1 1 9 9 GLN H H 9 7.855 7.855 7.780 0.075 17554 7659 1 14 . 1 1 10 10 LEU N N 10 118.986 118.986 119.448 -0.462 17554 7660 1 14 . 1 1 10 10 LEU HA H 10 4.463 4.463 4.314 0.149 17554 7661 1 14 . 1 1 10 10 LEU CA C 10 57.438 57.438 57.408 0.030 17554 7662 1 14 . 1 1 10 10 LEU CB C 10 42.943 42.943 41.779 1.164 17554 7663 1 14 . 1 1 10 10 LEU H H 10 7.432 7.432 7.790 -0.358 17554 7664 1 14 . 1 1 11 11 ALA N N 11 125.146 125.146 122.806 2.340 17554 7665 1 14 . 1 1 11 11 ALA HA H 11 4.411 4.411 4.533 -0.122 17554 7666 1 14 . 1 1 11 11 ALA CA C 11 55.259 55.259 54.614 0.645 17554 7667 1 14 . 1 1 11 11 ALA CB C 11 17.734 17.734 18.464 -0.730 17554 7668 1 14 . 1 1 11 11 ALA H H 11 8.797 8.797 8.731 0.066 17554 7669 1 14 . 1 1 12 12 GLU N N 12 119.871 119.871 116.992 2.879 17554 7670 1 14 . 1 1 12 12 GLU HA H 12 4.117 4.117 4.153 -0.036 17554 7671 1 14 . 1 1 12 12 GLU CA C 12 58.473 58.473 58.060 0.413 17554 7672 1 14 . 1 1 12 12 GLU CB C 12 29.531 29.531 29.637 -0.106 17554 7673 1 14 . 1 1 12 12 GLU H H 12 8.178 8.178 8.227 -0.049 17554 7674 1 14 . 1 1 13 13 MET N N 13 116.292 116.292 115.435 0.857 17554 7675 1 14 . 1 1 13 13 MET HA H 13 4.296 4.296 4.635 -0.339 17554 7676 1 14 . 1 1 13 13 MET CA C 13 56.797 56.797 55.801 0.996 17554 7677 1 14 . 1 1 13 13 MET CB C 13 33.221 33.221 33.634 -0.413 17554 7678 1 14 . 1 1 13 13 MET H H 13 7.619 7.619 7.655 -0.036 17554 7679 1 14 . 1 1 14 14 GLY N N 14 104.580 104.580 106.993 -2.413 17554 7680 1 14 . 1 1 14 14 GLY CA C 14 44.860 44.860 44.915 -0.055 17554 7681 1 14 . 1 1 14 14 GLY H H 14 7.873 7.873 7.994 -0.121 17554 7682 1 14 . 1 1 15 15 PHE N N 15 118.802 118.802 118.346 0.456 17554 7683 1 14 . 1 1 15 15 PHE HA H 15 5.017 5.017 4.929 0.088 17554 7684 1 14 . 1 1 15 15 PHE CA C 15 56.352 56.352 54.908 1.444 17554 7685 1 14 . 1 1 15 15 PHE CB C 15 39.395 39.395 42.016 -2.621 17554 7686 1 14 . 1 1 15 15 PHE H H 15 6.623 6.623 7.396 -0.773 17554 7687 1 14 . 1 1 16 16 PRO HA H 16 4.530 4.530 4.557 -0.027 17554 7688 1 14 . 1 1 16 16 PRO CA C 16 63.064 63.064 63.041 0.022 17554 7689 1 14 . 1 1 16 16 PRO CB C 16 32.293 32.293 30.275 2.018 17554 7690 1 14 . 1 1 17 17 LEU N N 17 128.389 128.389 124.219 4.170 17554 7691 1 14 . 1 1 17 17 LEU HA H 17 3.945 3.945 4.441 -0.496 17554 7692 1 14 . 1 1 17 17 LEU CA C 17 59.601 59.601 53.873 5.728 17554 7693 1 14 . 1 1 17 17 LEU CB C 17 42.248 42.248 39.918 2.330 17554 7694 1 14 . 1 1 17 17 LEU H H 17 9.041 9.041 8.172 0.869 17554 7695 1 14 . 1 1 18 18 GLU N N 18 114.837 114.837 124.279 -9.442 17554 7696 1 14 . 1 1 18 18 GLU HA H 18 4.067 4.067 3.930 0.137 17554 7697 1 14 . 1 1 18 18 GLU CA C 18 59.139 59.139 59.650 -0.511 17554 7698 1 14 . 1 1 18 18 GLU CB C 18 28.874 28.874 29.537 -0.663 17554 7699 1 14 . 1 1 18 18 GLU H H 18 9.267 9.267 8.057 1.210 17554 7700 1 14 . 1 1 19 19 ALA N N 19 119.137 119.137 121.484 -2.347 17554 7701 1 14 . 1 1 19 19 ALA HA H 19 3.918 3.918 4.125 -0.207 17554 7702 1 14 . 1 1 19 19 ALA CA C 19 54.872 54.872 55.095 -0.223 17554 7703 1 14 . 1 1 19 19 ALA CB C 19 17.972 17.972 18.231 -0.259 17554 7704 1 14 . 1 1 19 19 ALA H H 19 6.838 6.838 8.543 -1.705 17554 7705 1 14 . 1 1 20 20 CYS N N 20 116.877 116.877 117.603 -0.726 17554 7706 1 14 . 1 1 20 20 CYS HA H 20 3.891 3.891 4.252 -0.361 17554 7707 1 14 . 1 1 20 20 CYS CA C 20 63.356 63.356 62.305 1.051 17554 7708 1 14 . 1 1 20 20 CYS CB C 20 28.018 28.018 27.594 0.424 17554 7709 1 14 . 1 1 20 20 CYS H H 20 7.610 7.610 8.387 -0.777 17554 7710 1 14 . 1 1 21 21 ARG N N 21 117.434 117.434 120.582 -3.148 17554 7711 1 14 . 1 1 21 21 ARG HA H 21 3.696 3.696 3.904 -0.208 17554 7712 1 14 . 1 1 21 21 ARG CA C 21 60.192 60.192 59.706 0.486 17554 7713 1 14 . 1 1 21 21 ARG CB C 21 30.175 30.175 30.127 0.048 17554 7714 1 14 . 1 1 21 21 ARG H H 21 7.965 7.965 7.742 0.223 17554 7715 1 14 . 1 1 22 22 LYS N N 22 117.667 117.667 117.736 -0.069 17554 7716 1 14 . 1 1 22 22 LYS HA H 22 3.412 3.412 3.979 -0.567 17554 7717 1 14 . 1 1 22 22 LYS CA C 22 60.181 60.181 58.654 1.527 17554 7718 1 14 . 1 1 22 22 LYS CB C 22 32.085 32.085 31.890 0.195 17554 7719 1 14 . 1 1 22 22 LYS H H 22 7.392 7.392 8.428 -1.036 17554 7720 1 14 . 1 1 23 23 ALA N N 23 120.670 120.670 123.833 -3.163 17554 7721 1 14 . 1 1 23 23 ALA HA H 23 3.015 3.015 3.890 -0.875 17554 7722 1 14 . 1 1 23 23 ALA CA C 23 54.845 54.845 54.770 0.075 17554 7723 1 14 . 1 1 23 23 ALA CB C 23 19.900 19.900 17.965 1.935 17554 7724 1 14 . 1 1 23 23 ALA H H 23 8.043 8.043 7.837 0.206 17554 7725 1 14 . 1 1 24 24 VAL N N 24 117.629 117.629 119.627 -1.998 17554 7726 1 14 . 1 1 24 24 VAL HA H 24 3.510 3.510 3.575 -0.065 17554 7727 1 14 . 1 1 24 24 VAL CA C 24 65.665 65.665 66.632 -0.967 17554 7728 1 14 . 1 1 24 24 VAL CB C 24 32.009 32.009 31.601 0.408 17554 7729 1 14 . 1 1 24 24 VAL H H 24 7.381 7.381 8.534 -1.153 17554 7730 1 14 . 1 1 25 25 TYR N N 25 120.392 120.392 121.662 -1.270 17554 7731 1 14 . 1 1 25 25 TYR HA H 25 3.860 3.860 3.956 -0.096 17554 7732 1 14 . 1 1 25 25 TYR CA C 25 62.098 62.098 61.542 0.556 17554 7733 1 14 . 1 1 25 25 TYR CB C 25 38.735 38.735 38.268 0.467 17554 7734 1 14 . 1 1 25 25 TYR H H 25 8.029 8.029 7.472 0.557 17554 7735 1 14 . 1 1 26 26 PHE N N 26 116.460 116.460 115.780 0.680 17554 7736 1 14 . 1 1 26 26 PHE HA H 26 4.181 4.181 3.938 0.243 17554 7737 1 14 . 1 1 26 26 PHE CA C 26 60.345 60.345 60.160 0.185 17554 7738 1 14 . 1 1 26 26 PHE CB C 26 37.917 37.917 38.273 -0.356 17554 7739 1 14 . 1 1 26 26 PHE H H 26 9.102 9.102 8.034 1.068 17554 7740 1 14 . 1 1 27 27 THR N N 27 106.212 106.212 108.211 -1.999 17554 7741 1 14 . 1 1 27 27 THR HA H 27 4.477 4.477 3.935 0.542 17554 7742 1 14 . 1 1 27 27 THR CA C 27 61.195 61.195 63.441 -2.246 17554 7743 1 14 . 1 1 27 27 THR CB C 27 69.061 69.061 69.215 -0.154 17554 7744 1 14 . 1 1 27 27 THR H H 27 7.050 7.050 7.920 -0.870 17554 7745 1 14 . 1 1 28 28 GLY N N 28 107.275 107.275 110.054 -2.779 17554 7746 1 14 . 1 1 28 28 GLY CA C 28 46.575 46.575 44.812 1.762 17554 7747 1 14 . 1 1 28 28 GLY H H 28 7.278 7.278 7.487 -0.209 17554 7748 1 14 . 1 1 29 29 ASN N N 29 118.189 118.189 115.924 2.265 17554 7749 1 14 . 1 1 29 29 ASN HA H 29 4.342 4.342 4.293 0.049 17554 7750 1 14 . 1 1 29 29 ASN CA C 29 53.614 53.614 53.970 -0.356 17554 7751 1 14 . 1 1 29 29 ASN CB C 29 37.302 37.302 37.318 -0.016 17554 7752 1 14 . 1 1 29 29 ASN H H 29 8.704 8.704 8.600 0.104 17554 7753 1 14 . 1 1 30 30 MET N N 30 119.241 119.241 117.345 1.896 17554 7754 1 14 . 1 1 30 30 MET HA H 30 4.791 4.791 4.578 0.213 17554 7755 1 14 . 1 1 30 30 MET CA C 30 53.943 53.943 54.551 -0.608 17554 7756 1 14 . 1 1 30 30 MET CB C 30 33.263 33.263 33.476 -0.213 17554 7757 1 14 . 1 1 30 30 MET H H 30 8.921 8.921 7.955 0.966 17554 7758 1 14 . 1 1 31 31 GLY N N 31 109.623 109.623 105.150 4.473 17554 7759 1 14 . 1 1 31 31 GLY CA C 31 44.151 44.151 44.463 -0.312 17554 7760 1 14 . 1 1 31 31 GLY H H 31 8.349 8.349 7.753 0.596 17554 7761 1 14 . 1 1 32 32 ALA N N 32 121.096 121.096 124.352 -3.256 17554 7762 1 14 . 1 1 32 32 ALA HA H 32 3.980 3.980 4.081 -0.101 17554 7763 1 14 . 1 1 32 32 ALA CA C 32 55.192 55.192 54.428 0.764 17554 7764 1 14 . 1 1 32 32 ALA CB C 32 19.058 19.058 19.036 0.022 17554 7765 1 14 . 1 1 32 32 ALA H H 32 8.899 8.899 8.660 0.239 17554 7766 1 14 . 1 1 33 33 GLU N N 33 119.428 119.428 119.186 0.242 17554 7767 1 14 . 1 1 33 33 GLU HA H 33 4.095 4.095 4.172 -0.077 17554 7768 1 14 . 1 1 33 33 GLU CA C 33 60.864 60.864 58.942 1.922 17554 7769 1 14 . 1 1 33 33 GLU CB C 33 28.661 28.661 29.074 -0.413 17554 7770 1 14 . 1 1 33 33 GLU H H 33 8.705 8.705 8.676 0.029 17554 7771 1 14 . 1 1 34 34 VAL N N 34 117.216 117.216 120.610 -3.394 17554 7772 1 14 . 1 1 34 34 VAL HA H 34 4.062 4.062 3.879 0.183 17554 7773 1 14 . 1 1 34 34 VAL CA C 34 65.178 65.178 65.846 -0.668 17554 7774 1 14 . 1 1 34 34 VAL CB C 34 31.684 31.684 31.364 0.320 17554 7775 1 14 . 1 1 34 34 VAL H H 34 8.178 8.178 7.925 0.253 17554 7776 1 14 . 1 1 35 35 ALA N N 35 123.635 123.635 121.957 1.678 17554 7777 1 14 . 1 1 35 35 ALA HA H 35 4.289 4.289 4.276 0.013 17554 7778 1 14 . 1 1 35 35 ALA CA C 35 54.787 54.787 54.700 0.087 17554 7779 1 14 . 1 1 35 35 ALA CB C 35 19.794 19.794 18.303 1.491 17554 7780 1 14 . 1 1 35 35 ALA H H 35 7.178 7.178 7.779 -0.601 17554 7781 1 14 . 1 1 36 36 PHE N N 36 120.976 120.976 120.454 0.522 17554 7782 1 14 . 1 1 36 36 PHE HA H 36 4.079 4.079 4.136 -0.057 17554 7783 1 14 . 1 1 36 36 PHE CA C 36 61.339 61.339 61.829 -0.490 17554 7784 1 14 . 1 1 36 36 PHE CB C 36 38.952 38.952 39.311 -0.359 17554 7785 1 14 . 1 1 36 36 PHE H H 36 8.832 8.832 8.956 -0.124 17554 7786 1 14 . 1 1 37 37 ASN N N 37 114.823 114.823 117.716 -2.893 17554 7787 1 14 . 1 1 37 37 ASN HA H 37 4.318 4.318 4.303 0.015 17554 7788 1 14 . 1 1 37 37 ASN CA C 37 56.379 56.379 55.994 0.385 17554 7789 1 14 . 1 1 37 37 ASN CB C 37 38.288 38.288 38.336 -0.048 17554 7790 1 14 . 1 1 37 37 ASN H H 37 7.591 7.591 8.332 -0.741 17554 7791 1 14 . 1 1 38 38 TRP N N 38 119.984 119.984 121.101 -1.117 17554 7792 1 14 . 1 1 38 38 TRP HA H 38 4.191 4.191 4.444 -0.253 17554 7793 1 14 . 1 1 38 38 TRP CA C 38 62.279 62.279 60.615 1.664 17554 7794 1 14 . 1 1 38 38 TRP CB C 38 30.545 30.545 29.573 0.972 17554 7795 1 14 . 1 1 38 38 TRP H H 38 7.630 7.630 7.937 -0.307 17554 7796 1 14 . 1 1 39 39 ILE N N 39 121.183 121.183 120.703 0.480 17554 7797 1 14 . 1 1 39 39 ILE HA H 39 3.647 3.647 3.970 -0.323 17554 7798 1 14 . 1 1 39 39 ILE CA C 39 65.651 65.651 62.889 2.761 17554 7799 1 14 . 1 1 39 39 ILE CB C 39 36.375 36.375 38.116 -1.741 17554 7800 1 14 . 1 1 39 39 ILE H H 39 8.017 8.017 8.087 -0.070 17554 7801 1 14 . 1 1 40 40 ILE N N 40 115.084 115.084 116.575 -1.491 17554 7802 1 14 . 1 1 40 40 ILE HA H 40 3.665 3.665 3.708 -0.043 17554 7803 1 14 . 1 1 40 40 ILE CA C 40 63.224 63.224 64.236 -1.012 17554 7804 1 14 . 1 1 40 40 ILE CB C 40 36.681 36.681 37.269 -0.588 17554 7805 1 14 . 1 1 40 40 ILE H H 40 7.474 7.474 7.468 0.006 17554 7806 1 14 . 1 1 41 41 VAL N N 41 116.045 116.045 117.647 -1.602 17554 7807 1 14 . 1 1 41 41 VAL HA H 41 3.661 3.661 3.735 -0.074 17554 7808 1 14 . 1 1 41 41 VAL CA C 41 64.452 64.452 63.688 0.764 17554 7809 1 14 . 1 1 41 41 VAL CB C 41 32.156 32.156 32.098 0.058 17554 7810 1 14 . 1 1 41 41 VAL H H 41 7.054 7.054 7.565 -0.511 17554 7811 1 14 . 1 1 42 42 HIS N N 42 115.595 115.595 118.075 -2.480 17554 7812 1 14 . 1 1 42 42 HIS HA H 42 4.098 4.098 4.602 -0.504 17554 7813 1 14 . 1 1 42 42 HIS CA C 42 57.365 57.365 57.040 0.325 17554 7814 1 14 . 1 1 42 42 HIS CB C 42 28.251 28.251 30.802 -2.551 17554 7815 1 14 . 1 1 42 42 HIS H H 42 7.353 7.353 7.612 -0.259 17554 7816 1 14 . 1 1 43 43 MET N N 43 117.495 117.495 117.765 -0.270 17554 7817 1 14 . 1 1 43 43 MET HA H 43 2.064 2.064 3.613 -1.549 17554 7818 1 14 . 1 1 43 43 MET CA C 43 57.980 57.980 57.884 0.096 17554 7819 1 14 . 1 1 43 43 MET CB C 43 32.258 32.258 31.946 0.312 17554 7820 1 14 . 1 1 43 43 MET H H 43 7.373 7.373 7.342 0.031 17554 7821 1 14 . 1 1 44 44 GLU N N 44 116.844 116.844 116.229 0.615 17554 7822 1 14 . 1 1 44 44 GLU HA H 44 4.346 4.346 4.029 0.317 17554 7823 1 14 . 1 1 44 44 GLU CA C 44 55.838 55.838 56.469 -0.631 17554 7824 1 14 . 1 1 44 44 GLU CB C 44 29.351 29.351 29.233 0.118 17554 7825 1 14 . 1 1 44 44 GLU H H 44 8.102 8.102 8.039 0.063 17554 7826 1 14 . 1 1 45 45 GLU N N 45 121.925 121.925 121.152 0.773 17554 7827 1 14 . 1 1 45 45 GLU HA H 45 4.426 4.426 4.386 0.040 17554 7828 1 14 . 1 1 45 45 GLU CA C 45 55.141 55.141 53.470 1.671 17554 7829 1 14 . 1 1 45 45 GLU CB C 45 28.513 28.513 29.069 -0.556 17554 7830 1 14 . 1 1 45 45 GLU H H 45 7.853 7.853 7.318 0.535 17554 7831 1 14 . 1 1 46 46 PRO HA H 46 4.440 4.440 4.304 0.136 17554 7832 1 14 . 1 1 46 46 PRO CA C 46 65.070 65.070 65.274 -0.204 17554 7833 1 14 . 1 1 46 46 PRO CB C 46 31.850 31.850 32.086 -0.236 17554 7834 1 14 . 1 1 47 47 ASP N N 47 115.051 115.051 116.459 -1.408 17554 7835 1 14 . 1 1 47 47 ASP HA H 47 4.686 4.686 4.723 -0.037 17554 7836 1 14 . 1 1 47 47 ASP CA C 47 52.841 52.841 52.302 0.539 17554 7837 1 14 . 1 1 47 47 ASP CB C 47 39.711 39.711 40.291 -0.580 17554 7838 1 14 . 1 1 47 47 ASP H H 47 8.437 8.437 8.338 0.099 17554 7839 1 14 . 1 1 48 48 PHE N N 48 122.693 122.693 118.063 4.630 17554 7840 1 14 . 1 1 48 48 PHE HA H 48 4.522 4.522 4.399 0.123 17554 7841 1 14 . 1 1 48 48 PHE CA C 48 60.887 60.887 58.820 2.067 17554 7842 1 14 . 1 1 48 48 PHE CB C 48 40.495 40.495 38.744 1.751 17554 7843 1 14 . 1 1 48 48 PHE H H 48 7.695 7.695 7.902 -0.207 17554 7844 1 14 . 1 1 49 49 ALA N N 49 117.185 117.185 120.272 -3.087 17554 7845 1 14 . 1 1 49 49 ALA HA H 49 4.099 4.099 4.219 -0.120 17554 7846 1 14 . 1 1 49 49 ALA CA C 49 51.211 51.211 50.833 0.378 17554 7847 1 14 . 1 1 49 49 ALA CB C 49 19.067 19.067 20.068 -1.001 17554 7848 1 14 . 1 1 49 49 ALA H H 49 8.643 8.643 7.011 1.632 17554 7849 1 14 . 1 1 50 50 GLU N N 50 119.707 119.707 119.720 -0.013 17554 7850 1 14 . 1 1 50 50 GLU HA H 50 4.412 4.412 4.728 -0.316 17554 7851 1 14 . 1 1 50 50 GLU CA C 50 54.755 54.755 53.469 1.286 17554 7852 1 14 . 1 1 50 50 GLU CB C 50 29.274 29.274 29.933 -0.659 17554 7853 1 14 . 1 1 50 50 GLU H H 50 7.412 7.412 8.412 -1.000 17554 7854 1 14 . 1 1 51 51 PRO HA H 51 4.315 4.315 4.528 -0.213 17554 7855 1 14 . 1 1 51 51 PRO CA C 51 62.863 62.863 62.834 0.028 17554 7856 1 14 . 1 1 51 51 PRO CB C 51 32.408 32.408 30.419 1.989 17554 7857 1 14 . 1 1 52 52 LEU N N 52 123.507 123.507 123.545 -0.038 17554 7858 1 14 . 1 1 52 52 LEU HA H 52 4.210 4.210 4.558 -0.348 17554 7859 1 14 . 1 1 52 52 LEU CA C 52 55.217 55.217 54.244 0.973 17554 7860 1 14 . 1 1 52 52 LEU CB C 52 42.918 42.918 42.189 0.729 17554 7861 1 14 . 1 1 52 52 LEU H H 52 8.475 8.475 7.901 0.574 17554 7862 1 14 . 1 1 53 53 THR N N 53 119.005 119.005 118.059 0.946 17554 7863 1 14 . 1 1 53 53 THR HA H 53 4.292 4.292 4.074 0.218 17554 7864 1 14 . 1 1 53 53 THR CA C 53 61.478 61.478 63.070 -1.592 17554 7865 1 14 . 1 1 53 53 THR CB C 53 69.752 69.752 69.024 0.728 17554 7866 1 14 . 1 1 53 53 THR H H 53 8.371 8.371 8.358 0.013 17554 7867 1 14 . 1 1 54 54 MET N N 54 124.439 124.439 126.622 -2.183 17554 7868 1 14 . 1 1 54 54 MET HA H 54 4.651 4.651 4.542 0.109 17554 7869 1 14 . 1 1 54 54 MET CA C 54 53.235 53.235 54.412 -1.177 17554 7870 1 14 . 1 1 54 54 MET CB C 54 32.605 32.605 32.993 -0.388 17554 7871 1 14 . 1 1 54 54 MET H H 54 8.264 8.264 8.232 0.032 17554 7872 1 14 . 1 1 55 55 PRO HA H 55 4.368 4.368 4.338 0.030 17554 7873 1 14 . 1 1 55 55 PRO CA C 55 63.668 63.668 62.883 0.785 17554 7874 1 14 . 1 1 55 55 PRO CB C 55 32.038 32.038 32.563 -0.525 17554 7875 1 14 . 1 1 56 56 GLY N N 56 109.663 109.663 107.709 1.954 17554 7876 1 14 . 1 1 56 56 GLY CA C 56 45.314 45.314 44.185 1.129 17554 7877 1 14 . 1 1 56 56 GLY H H 56 8.461 8.461 7.560 0.901 17554 7878 1 14 . 1 1 57 57 TYR N N 57 120.317 120.317 116.030 4.287 17554 7879 1 14 . 1 1 57 57 TYR HA H 57 4.528 4.528 4.538 -0.010 17554 7880 1 14 . 1 1 57 57 TYR CA C 57 58.132 58.132 55.092 3.040 17554 7881 1 14 . 1 1 57 57 TYR CB C 57 38.958 38.958 36.751 2.207 17554 7882 1 14 . 1 1 57 57 TYR H H 57 8.033 8.033 7.607 0.426 17554 7883 1 14 . 1 1 58 58 GLY N N 58 111.694 111.694 110.205 1.489 17554 7884 1 14 . 1 1 58 58 GLY CA C 58 45.489 45.489 44.843 0.646 17554 7885 1 14 . 1 1 58 58 GLY H H 58 8.423 8.423 8.155 0.268 17554 7886 1 14 . 1 1 59 59 GLY N N 59 108.403 108.403 109.241 -0.838 17554 7887 1 14 . 1 1 59 59 GLY CA C 59 45.210 45.210 45.399 -0.189 17554 7888 1 14 . 1 1 59 59 GLY H H 59 7.871 7.871 7.641 0.230 17554 7889 1 14 . 1 1 60 60 ALA N N 60 123.835 123.835 121.935 1.900 17554 7890 1 14 . 1 1 60 60 ALA HA H 60 4.294 4.294 4.722 -0.428 17554 7891 1 14 . 1 1 60 60 ALA CA C 60 52.710 52.710 51.712 0.998 17554 7892 1 14 . 1 1 60 60 ALA CB C 60 19.353 19.353 20.783 -1.430 17554 7893 1 14 . 1 1 60 60 ALA H H 60 8.207 8.207 8.289 -0.082 17554 7894 1 14 . 1 1 61 61 ALA N N 61 123.032 123.032 125.376 -2.344 17554 7895 1 14 . 1 1 61 61 ALA HA H 61 4.316 4.316 4.579 -0.263 17554 7896 1 14 . 1 1 61 61 ALA CA C 61 52.751 52.751 51.858 0.893 17554 7897 1 14 . 1 1 61 61 ALA CB C 61 19.096 19.096 19.792 -0.696 17554 7898 1 14 . 1 1 61 61 ALA H H 61 8.331 8.331 8.142 0.189 17554 7899 1 14 . 1 1 62 62 SER N N 62 114.625 114.625 117.302 -2.677 17554 7900 1 14 . 1 1 62 62 SER HA H 62 4.406 4.406 4.143 0.263 17554 7901 1 14 . 1 1 62 62 SER CA C 62 58.283 58.283 58.279 0.004 17554 7902 1 14 . 1 1 62 62 SER CB C 62 63.858 63.858 61.971 1.887 17554 7903 1 14 . 1 1 62 62 SER H H 62 8.158 8.158 8.693 -0.535 17554 7904 1 14 . 1 1 63 63 ALA N N 63 125.890 125.890 124.043 1.847 17554 7905 1 14 . 1 1 63 63 ALA HA H 63 4.314 4.314 4.275 0.039 17554 7906 1 14 . 1 1 63 63 ALA CA C 63 52.926 52.926 52.240 0.686 17554 7907 1 14 . 1 1 63 63 ALA CB C 63 19.216 19.216 17.785 1.431 17554 7908 1 14 . 1 1 63 63 ALA H H 63 8.294 8.294 8.249 0.045 17554 7909 1 14 . 1 1 64 64 GLY N N 64 107.980 107.980 110.630 -2.650 17554 7910 1 14 . 1 1 64 64 GLY CA C 64 45.324 45.324 44.940 0.384 17554 7911 1 14 . 1 1 64 64 GLY H H 64 8.321 8.321 8.100 0.221 17554 7912 1 14 . 1 1 65 65 ALA N N 65 123.524 123.524 121.823 1.701 17554 7913 1 14 . 1 1 65 65 ALA HA H 65 4.330 4.330 4.398 -0.068 17554 7914 1 14 . 1 1 65 65 ALA CA C 65 52.589 52.589 51.894 0.695 17554 7915 1 14 . 1 1 65 65 ALA CB C 65 19.438 19.438 20.038 -0.601 17554 7916 1 14 . 1 1 65 65 ALA H H 65 8.088 8.088 7.998 0.090 17554 7917 1 14 . 1 1 66 66 SER N N 66 115.072 115.072 117.484 -2.412 17554 7918 1 14 . 1 1 66 66 SER HA H 66 4.442 4.442 4.357 0.085 17554 7919 1 14 . 1 1 66 66 SER CA C 66 58.334 58.334 57.508 0.827 17554 7920 1 14 . 1 1 66 66 SER CB C 66 63.804 63.804 61.907 1.897 17554 7921 1 14 . 1 1 66 66 SER H H 66 8.297 8.297 8.386 -0.089 17554 7922 1 14 . 1 1 67 67 VAL N N 67 121.228 121.228 124.052 -2.824 17554 7923 1 14 . 1 1 67 67 VAL HA H 67 4.075 4.075 3.903 0.172 17554 7924 1 14 . 1 1 67 67 VAL CA C 67 62.417 62.417 62.144 0.273 17554 7925 1 14 . 1 1 67 67 VAL CB C 67 32.611 32.611 32.234 0.377 17554 7926 1 14 . 1 1 67 67 VAL H H 67 8.007 8.007 7.419 0.588 17554 7927 1 14 . 1 1 68 68 PHE N N 68 123.068 123.068 126.495 -3.427 17554 7928 1 14 . 1 1 68 68 PHE HA H 68 4.618 4.618 4.779 -0.161 17554 7929 1 14 . 1 1 68 68 PHE CA C 68 57.981 57.981 57.803 0.178 17554 7930 1 14 . 1 1 68 68 PHE CB C 68 39.618 39.618 39.923 -0.305 17554 7931 1 14 . 1 1 68 68 PHE H H 68 8.255 8.255 8.325 -0.070 17554 7932 1 14 . 1 1 69 69 GLY N N 69 110.709 110.709 107.172 3.537 17554 7933 1 14 . 1 1 69 69 GLY CA C 69 45.339 45.339 45.219 0.120 17554 7934 1 14 . 1 1 69 69 GLY H H 69 8.234 8.234 9.018 -0.784 17554 7935 1 14 . 1 1 70 70 ALA N N 70 123.857 123.857 122.072 1.785 17554 7936 1 14 . 1 1 70 70 ALA HA H 70 4.348 4.348 4.571 -0.223 17554 7937 1 14 . 1 1 70 70 ALA CA C 70 52.626 52.626 52.442 0.184 17554 7938 1 14 . 1 1 70 70 ALA CB C 70 19.386 19.386 19.486 -0.100 17554 7939 1 14 . 1 1 70 70 ALA H H 70 8.140 8.140 8.192 -0.052 17554 7940 1 14 . 1 1 71 71 SER N N 71 115.019 115.019 114.948 0.071 17554 7941 1 14 . 1 1 71 71 SER HA H 71 4.441 4.441 4.229 0.212 17554 7942 1 14 . 1 1 71 71 SER CA C 71 58.592 58.592 58.518 0.074 17554 7943 1 14 . 1 1 71 71 SER CB C 71 63.975 63.975 62.650 1.325 17554 7944 1 14 . 1 1 71 71 SER H H 71 8.379 8.379 8.365 0.014 17554 7945 1 14 . 1 1 72 72 GLY N N 72 110.640 110.640 107.480 3.160 17554 7946 1 14 . 1 1 72 72 GLY CA C 72 45.546 45.546 45.038 0.508 17554 7947 1 14 . 1 1 72 72 GLY H H 72 8.395 8.395 8.326 0.069 17554 7948 1 14 . 1 1 73 73 LEU N N 73 121.191 121.191 121.556 -0.365 17554 7949 1 14 . 1 1 73 73 LEU HA H 73 4.319 4.319 4.634 -0.315 17554 7950 1 14 . 1 1 73 73 LEU CA C 73 55.292 55.292 55.553 -0.261 17554 7951 1 14 . 1 1 73 73 LEU CB C 73 42.355 42.355 42.149 0.206 17554 7952 1 14 . 1 1 73 73 LEU H H 73 8.088 8.088 8.414 -0.326 17554 7953 1 14 . 1 1 74 74 ASP N N 74 120.099 120.099 119.126 0.973 17554 7954 1 14 . 1 1 74 74 ASP HA H 74 4.549 4.549 4.746 -0.197 17554 7955 1 14 . 1 1 74 74 ASP CA C 74 54.451 54.451 53.379 1.072 17554 7956 1 14 . 1 1 74 74 ASP CB C 74 41.071 41.071 42.230 -1.159 17554 7957 1 14 . 1 1 74 74 ASP H H 74 8.312 8.312 7.951 0.361 17554 7958 1 14 . 1 1 75 75 ASN N N 75 118.544 118.544 117.864 0.680 17554 7959 1 14 . 1 1 75 75 ASN HA H 75 4.627 4.627 4.747 -0.120 17554 7960 1 14 . 1 1 75 75 ASN CA C 75 53.043 53.043 52.642 0.401 17554 7961 1 14 . 1 1 75 75 ASN CB C 75 38.723 38.723 39.682 -0.959 17554 7962 1 14 . 1 1 75 75 ASN H H 75 8.254 8.254 8.270 -0.016 17554 7963 1 14 . 1 1 76 76 GLN N N 76 121.475 121.475 118.900 2.575 17554 7964 1 14 . 1 1 76 76 GLN HA H 76 4.527 4.527 4.684 -0.157 17554 7965 1 14 . 1 1 76 76 GLN CA C 76 53.613 53.613 53.424 0.189 17554 7966 1 14 . 1 1 76 76 GLN CB C 76 28.697 28.697 30.799 -2.102 17554 7967 1 14 . 1 1 76 76 GLN H H 76 8.228 8.228 8.437 -0.209 17554 7968 1 14 . 1 1 77 77 PRO HA H 77 4.566 4.566 4.474 0.092 17554 7969 1 14 . 1 1 77 77 PRO CA C 77 61.219 61.219 62.013 -0.794 17554 7970 1 14 . 1 1 77 77 PRO CB C 77 31.453 31.453 31.402 0.050 17554 7971 1 14 . 1 1 78 78 PRO HA H 78 4.449 4.449 4.439 0.010 17554 7972 1 14 . 1 1 78 78 PRO CA C 78 62.743 62.743 63.022 -0.279 17554 7973 1 14 . 1 1 78 78 PRO CB C 78 32.168 32.168 31.734 0.434 17554 7974 1 14 . 1 1 79 79 GLU N N 79 127.716 127.716 126.176 1.540 17554 7975 1 14 . 1 1 79 79 GLU HA H 79 3.843 3.843 3.824 0.019 17554 7976 1 14 . 1 1 79 79 GLU CA C 79 59.074 59.074 59.689 -0.615 17554 7977 1 14 . 1 1 79 79 GLU CB C 79 28.921 28.921 28.933 -0.012 17554 7978 1 14 . 1 1 79 79 GLU H H 79 9.073 9.073 8.798 0.275 17554 7979 1 14 . 1 1 80 80 GLU N N 80 117.579 117.579 120.443 -2.864 17554 7980 1 14 . 1 1 80 80 GLU HA H 80 4.120 4.120 4.100 0.020 17554 7981 1 14 . 1 1 80 80 GLU CA C 80 59.468 59.468 59.163 0.305 17554 7982 1 14 . 1 1 80 80 GLU CB C 80 28.680 28.680 29.137 -0.457 17554 7983 1 14 . 1 1 80 80 GLU H H 80 9.604 9.604 8.757 0.847 17554 7984 1 14 . 1 1 81 81 ILE N N 81 117.488 117.488 119.842 -2.354 17554 7985 1 14 . 1 1 81 81 ILE HA H 81 4.068 4.068 3.856 0.212 17554 7986 1 14 . 1 1 81 81 ILE CA C 81 63.261 63.261 64.349 -1.088 17554 7987 1 14 . 1 1 81 81 ILE CB C 81 37.248 37.248 38.337 -1.089 17554 7988 1 14 . 1 1 81 81 ILE H H 81 7.172 7.172 7.625 -0.453 17554 7989 1 14 . 1 1 82 82 VAL N N 82 121.739 121.739 118.455 3.284 17554 7990 1 14 . 1 1 82 82 VAL HA H 82 3.143 3.143 3.651 -0.508 17554 7991 1 14 . 1 1 82 82 VAL CA C 82 67.507 67.507 66.580 0.927 17554 7992 1 14 . 1 1 82 82 VAL CB C 82 31.816 31.816 31.278 0.538 17554 7993 1 14 . 1 1 82 82 VAL H H 82 7.591 7.591 8.589 -0.998 17554 7994 1 14 . 1 1 83 83 ALA N N 83 118.311 118.311 123.049 -4.738 17554 7995 1 14 . 1 1 83 83 ALA HA H 83 4.341 4.341 4.007 0.334 17554 7996 1 14 . 1 1 83 83 ALA CA C 83 54.186 54.186 55.145 -0.959 17554 7997 1 14 . 1 1 83 83 ALA CB C 83 18.026 18.026 18.206 -0.180 17554 7998 1 14 . 1 1 83 83 ALA H H 83 8.260 8.260 7.765 0.495 17554 7999 1 14 . 1 1 84 84 ILE N N 84 119.780 119.780 119.293 0.487 17554 8000 1 14 . 1 1 84 84 ILE HA H 84 3.737 3.737 3.606 0.131 17554 8001 1 14 . 1 1 84 84 ILE CA C 84 65.095 65.095 65.490 -0.396 17554 8002 1 14 . 1 1 84 84 ILE CB C 84 38.070 38.070 38.011 0.059 17554 8003 1 14 . 1 1 84 84 ILE H H 84 7.298 7.298 7.653 -0.355 17554 8004 1 14 . 1 1 85 85 ILE N N 85 119.424 119.424 119.292 0.132 17554 8005 1 14 . 1 1 85 85 ILE HA H 85 3.884 3.884 3.769 0.115 17554 8006 1 14 . 1 1 85 85 ILE CA C 85 66.207 66.207 65.891 0.316 17554 8007 1 14 . 1 1 85 85 ILE CB C 85 38.043 38.043 37.981 0.062 17554 8008 1 14 . 1 1 85 85 ILE H H 85 7.426 7.426 8.540 -1.114 17554 8009 1 14 . 1 1 86 86 THR N N 86 112.538 112.538 114.354 -1.816 17554 8010 1 14 . 1 1 86 86 THR HA H 86 4.669 4.669 4.317 0.352 17554 8011 1 14 . 1 1 86 86 THR CA C 86 64.995 64.995 65.315 -0.320 17554 8012 1 14 . 1 1 86 86 THR CB C 86 68.293 68.293 68.594 -0.301 17554 8013 1 14 . 1 1 86 86 THR H H 86 9.097 9.097 8.368 0.729 17554 8014 1 14 . 1 1 87 87 SER N N 87 120.681 120.681 116.607 4.074 17554 8015 1 14 . 1 1 87 87 SER HA H 87 4.397 4.397 4.322 0.075 17554 8016 1 14 . 1 1 87 87 SER CA C 87 61.715 61.715 60.303 1.412 17554 8017 1 14 . 1 1 87 87 SER CB C 87 62.804 62.804 63.065 -0.261 17554 8018 1 14 . 1 1 87 87 SER H H 87 8.250 8.250 8.126 0.124 17554 8019 1 14 . 1 1 88 88 MET N N 88 119.753 119.753 118.053 1.700 17554 8020 1 14 . 1 1 88 88 MET HA H 88 4.399 4.399 4.306 0.093 17554 8021 1 14 . 1 1 88 88 MET CA C 88 56.596 56.596 55.742 0.854 17554 8022 1 14 . 1 1 88 88 MET CB C 88 33.330 33.330 32.725 0.605 17554 8023 1 14 . 1 1 88 88 MET H H 88 7.550 7.550 7.774 -0.224 17554 8024 1 14 . 1 1 89 89 GLY N N 89 105.282 105.282 103.632 1.650 17554 8025 1 14 . 1 1 89 89 GLY CA C 89 44.767 44.767 44.620 0.147 17554 8026 1 14 . 1 1 89 89 GLY H H 89 7.866 7.866 7.496 0.370 17554 8027 1 14 . 1 1 90 90 PHE N N 90 118.182 118.182 119.800 -1.618 17554 8028 1 14 . 1 1 90 90 PHE HA H 90 4.721 4.721 4.958 -0.237 17554 8029 1 14 . 1 1 90 90 PHE CA C 90 57.670 57.670 56.594 1.076 17554 8030 1 14 . 1 1 90 90 PHE CB C 90 39.706 39.706 40.873 -1.167 17554 8031 1 14 . 1 1 90 90 PHE H H 90 6.675 6.675 7.580 -0.905 17554 8032 1 14 . 1 1 91 91 GLN N N 91 118.581 118.581 118.400 0.181 17554 8033 1 14 . 1 1 91 91 GLN HA H 91 4.356 4.356 4.675 -0.319 17554 8034 1 14 . 1 1 91 91 GLN CA C 91 55.485 55.485 54.367 1.117 17554 8035 1 14 . 1 1 91 91 GLN CB C 91 29.969 29.969 31.749 -1.780 17554 8036 1 14 . 1 1 91 91 GLN H H 91 8.854 8.854 8.548 0.306 17554 8037 1 14 . 1 1 92 92 ARG N N 92 124.037 124.037 127.708 -3.671 17554 8038 1 14 . 1 1 92 92 ARG HA H 92 3.624 3.624 3.946 -0.322 17554 8039 1 14 . 1 1 92 92 ARG CA C 92 60.847 60.847 60.608 0.239 17554 8040 1 14 . 1 1 92 92 ARG CB C 92 29.579 29.579 29.922 -0.343 17554 8041 1 14 . 1 1 92 92 ARG H H 92 9.124 9.124 8.936 0.188 17554 8042 1 14 . 1 1 93 93 ASN N N 93 115.060 115.060 117.455 -2.395 17554 8043 1 14 . 1 1 93 93 ASN HA H 93 4.395 4.395 4.466 -0.071 17554 8044 1 14 . 1 1 93 93 ASN CA C 93 56.562 56.562 56.261 0.301 17554 8045 1 14 . 1 1 93 93 ASN CB C 93 37.059 37.059 37.754 -0.695 17554 8046 1 14 . 1 1 93 93 ASN H H 93 9.117 9.117 8.545 0.572 17554 8047 1 14 . 1 1 94 94 GLN N N 94 119.980 119.980 119.075 0.905 17554 8048 1 14 . 1 1 94 94 GLN HA H 94 3.933 3.933 4.091 -0.158 17554 8049 1 14 . 1 1 94 94 GLN CA C 94 58.775 58.775 59.091 -0.316 17554 8050 1 14 . 1 1 94 94 GLN CB C 94 29.075 29.075 28.576 0.499 17554 8051 1 14 . 1 1 94 94 GLN H H 94 7.033 7.033 8.540 -1.507 17554 8052 1 14 . 1 1 95 95 ALA N N 95 120.823 120.823 122.893 -2.070 17554 8053 1 14 . 1 1 95 95 ALA HA H 95 3.761 3.761 4.036 -0.275 17554 8054 1 14 . 1 1 95 95 ALA CA C 95 55.680 55.680 55.121 0.559 17554 8055 1 14 . 1 1 95 95 ALA CB C 95 19.601 19.601 18.528 1.073 17554 8056 1 14 . 1 1 95 95 ALA H H 95 7.996 7.996 8.379 -0.383 17554 8057 1 14 . 1 1 96 96 ILE N N 96 116.250 116.250 120.248 -3.998 17554 8058 1 14 . 1 1 96 96 ILE HA H 96 3.420 3.420 3.504 -0.084 17554 8059 1 14 . 1 1 96 96 ILE CA C 96 65.611 65.611 66.112 -0.501 17554 8060 1 14 . 1 1 96 96 ILE CB C 96 37.869 37.869 37.916 -0.047 17554 8061 1 14 . 1 1 96 96 ILE H H 96 8.408 8.408 8.348 0.060 17554 8062 1 14 . 1 1 97 97 GLN N N 97 118.601 118.601 119.105 -0.504 17554 8063 1 14 . 1 1 97 97 GLN HA H 97 3.734 3.734 3.716 0.018 17554 8064 1 14 . 1 1 97 97 GLN CA C 97 59.011 59.011 59.219 -0.208 17554 8065 1 14 . 1 1 97 97 GLN CB C 97 28.425 28.425 28.509 -0.084 17554 8066 1 14 . 1 1 97 97 GLN H H 97 7.767 7.767 8.081 -0.314 17554 8067 1 14 . 1 1 98 98 ALA N N 98 121.375 121.375 122.715 -1.340 17554 8068 1 14 . 1 1 98 98 ALA HA H 98 2.748 2.748 3.029 -0.281 17554 8069 1 14 . 1 1 98 98 ALA CA C 98 54.408 54.408 54.824 -0.416 17554 8070 1 14 . 1 1 98 98 ALA CB C 98 20.084 20.084 18.330 1.754 17554 8071 1 14 . 1 1 98 98 ALA H H 98 7.905 7.905 7.563 0.342 17554 8072 1 14 . 1 1 99 99 LEU N N 99 118.409 118.409 118.955 -0.546 17554 8073 1 14 . 1 1 99 99 LEU HA H 99 3.717 3.717 4.026 -0.309 17554 8074 1 14 . 1 1 99 99 LEU CA C 99 57.529 57.529 57.260 0.269 17554 8075 1 14 . 1 1 99 99 LEU CB C 99 40.714 40.714 41.409 -0.695 17554 8076 1 14 . 1 1 99 99 LEU H H 99 7.938 7.938 8.339 -0.401 17554 8077 1 14 . 1 1 100 100 ARG N N 100 119.771 119.771 119.206 0.565 17554 8078 1 14 . 1 1 100 100 ARG HA H 100 4.107 4.107 3.817 0.290 17554 8079 1 14 . 1 1 100 100 ARG CA C 100 59.182 59.182 59.430 -0.248 17554 8080 1 14 . 1 1 100 100 ARG CB C 100 30.021 30.021 29.824 0.197 17554 8081 1 14 . 1 1 100 100 ARG H H 100 8.248 8.248 8.310 -0.062 17554 8082 1 14 . 1 1 101 101 ALA N N 101 119.288 119.288 119.767 -0.479 17554 8083 1 14 . 1 1 101 101 ALA HA H 101 3.983 3.983 4.137 -0.154 17554 8084 1 14 . 1 1 101 101 ALA CA C 101 53.663 53.663 54.255 -0.592 17554 8085 1 14 . 1 1 101 101 ALA CB C 101 17.946 17.946 18.417 -0.471 17554 8086 1 14 . 1 1 101 101 ALA H H 101 7.324 7.324 7.338 -0.014 17554 8087 1 14 . 1 1 102 102 THR N N 102 105.233 105.233 107.377 -2.144 17554 8088 1 14 . 1 1 102 102 THR HA H 102 4.429 4.429 4.152 0.277 17554 8089 1 14 . 1 1 102 102 THR CA C 102 60.535 60.535 62.848 -2.313 17554 8090 1 14 . 1 1 102 102 THR CB C 102 71.036 71.036 69.464 1.572 17554 8091 1 14 . 1 1 102 102 THR H H 102 7.113 7.113 7.894 -0.781 17554 8092 1 14 . 1 1 103 103 ASN N N 103 119.293 119.293 118.877 0.416 17554 8093 1 14 . 1 1 103 103 ASN HA H 103 4.343 4.343 4.225 0.118 17554 8094 1 14 . 1 1 103 103 ASN CA C 103 54.462 54.462 53.751 0.711 17554 8095 1 14 . 1 1 103 103 ASN CB C 103 36.960 36.960 36.771 0.189 17554 8096 1 14 . 1 1 103 103 ASN H H 103 7.701 7.701 7.899 -0.198 17554 8097 1 14 . 1 1 104 104 ASN N N 104 108.274 108.274 110.645 -2.371 17554 8098 1 14 . 1 1 104 104 ASN HA H 104 3.956 3.956 4.220 -0.264 17554 8099 1 14 . 1 1 104 104 ASN CA C 104 54.757 54.757 54.672 0.085 17554 8100 1 14 . 1 1 104 104 ASN CB C 104 36.151 36.151 37.156 -1.005 17554 8101 1 14 . 1 1 104 104 ASN H H 104 9.048 9.048 8.798 0.250 17554 8102 1 14 . 1 1 105 105 ASN N N 105 118.458 118.458 118.178 0.280 17554 8103 1 14 . 1 1 105 105 ASN HA H 105 4.728 4.728 4.760 -0.032 17554 8104 1 14 . 1 1 105 105 ASN CA C 105 53.081 53.081 52.590 0.491 17554 8105 1 14 . 1 1 105 105 ASN CB C 105 40.405 40.405 39.103 1.302 17554 8106 1 14 . 1 1 105 105 ASN H H 105 7.061 7.061 7.505 -0.444 17554 8107 1 14 . 1 1 106 106 LEU N N 106 128.727 128.727 128.241 0.486 17554 8108 1 14 . 1 1 106 106 LEU HA H 106 3.732 3.732 3.980 -0.248 17554 8109 1 14 . 1 1 106 106 LEU CA C 106 59.307 59.307 59.247 0.060 17554 8110 1 14 . 1 1 106 106 LEU CB C 106 42.071 42.071 42.163 -0.092 17554 8111 1 14 . 1 1 106 106 LEU H H 106 8.718 8.718 8.306 0.412 17554 8112 1 14 . 1 1 107 107 GLU N N 107 117.325 117.325 117.916 -0.591 17554 8113 1 14 . 1 1 107 107 GLU HA H 107 3.890 3.890 3.951 -0.061 17554 8114 1 14 . 1 1 107 107 GLU CA C 107 60.871 60.871 59.759 1.112 17554 8115 1 14 . 1 1 107 107 GLU CB C 107 28.881 28.881 28.915 -0.034 17554 8116 1 14 . 1 1 107 107 GLU H H 107 8.390 8.390 8.358 0.032 17554 8117 1 14 . 1 1 108 108 ARG N N 108 117.912 117.912 119.945 -2.033 17554 8118 1 14 . 1 1 108 108 ARG HA H 108 4.265 4.265 4.151 0.114 17554 8119 1 14 . 1 1 108 108 ARG CA C 108 58.748 58.748 58.873 -0.125 17554 8120 1 14 . 1 1 108 108 ARG CB C 108 30.650 30.650 30.243 0.407 17554 8121 1 14 . 1 1 108 108 ARG H H 108 8.410 8.410 8.870 -0.460 17554 8122 1 14 . 1 1 109 109 ALA N N 109 127.124 127.124 123.379 3.745 17554 8123 1 14 . 1 1 109 109 ALA HA H 109 3.900 3.900 4.110 -0.210 17554 8124 1 14 . 1 1 109 109 ALA CA C 109 55.518 55.518 55.339 0.179 17554 8125 1 14 . 1 1 109 109 ALA CB C 109 17.772 17.772 18.347 -0.575 17554 8126 1 14 . 1 1 109 109 ALA H H 109 9.083 9.083 8.260 0.823 17554 8127 1 14 . 1 1 110 110 LEU N N 110 118.715 118.715 118.960 -0.245 17554 8128 1 14 . 1 1 110 110 LEU HA H 110 3.777 3.777 3.828 -0.051 17554 8129 1 14 . 1 1 110 110 LEU CA C 110 57.997 57.997 58.111 -0.114 17554 8130 1 14 . 1 1 110 110 LEU CB C 110 40.963 40.963 41.517 -0.554 17554 8131 1 14 . 1 1 110 110 LEU H H 110 8.215 8.215 8.115 0.100 17554 8132 1 14 . 1 1 111 111 ASP N N 111 118.516 118.516 119.939 -1.423 17554 8133 1 14 . 1 1 111 111 ASP HA H 111 4.484 4.484 4.333 0.151 17554 8134 1 14 . 1 1 111 111 ASP CA C 111 57.634 57.634 58.249 -0.615 17554 8135 1 14 . 1 1 111 111 ASP CB C 111 41.026 41.026 40.896 0.130 17554 8136 1 14 . 1 1 111 111 ASP H H 111 7.400 7.400 8.267 -0.867 17554 8137 1 14 . 1 1 112 112 TRP N N 112 122.780 122.780 120.714 2.066 17554 8138 1 14 . 1 1 112 112 TRP HA H 112 4.097 4.097 4.363 -0.266 17554 8139 1 14 . 1 1 112 112 TRP CA C 112 62.365 62.365 61.228 1.137 17554 8140 1 14 . 1 1 112 112 TRP CB C 112 29.490 29.490 29.892 -0.402 17554 8141 1 14 . 1 1 112 112 TRP H H 112 8.525 8.525 8.299 0.226 17554 8142 1 14 . 1 1 113 113 ILE N N 113 122.469 122.469 119.712 2.757 17554 8143 1 14 . 1 1 113 113 ILE HA H 113 3.575 3.575 3.658 -0.083 17554 8144 1 14 . 1 1 113 113 ILE CA C 113 66.239 66.239 64.964 1.275 17554 8145 1 14 . 1 1 113 113 ILE CB C 113 37.688 37.688 37.321 0.367 17554 8146 1 14 . 1 1 113 113 ILE H H 113 8.618 8.618 8.955 -0.337 17554 8147 1 14 . 1 1 114 114 PHE N N 114 118.665 118.665 121.343 -2.678 17554 8148 1 14 . 1 1 114 114 PHE HA H 114 4.386 4.386 4.184 0.202 17554 8149 1 14 . 1 1 114 114 PHE CA C 114 60.111 60.111 60.968 -0.857 17554 8150 1 14 . 1 1 114 114 PHE CB C 114 38.344 38.344 39.129 -0.785 17554 8151 1 14 . 1 1 114 114 PHE H H 114 8.109 8.109 8.437 -0.328 17554 8152 1 14 . 1 1 115 115 SER N N 115 111.172 111.172 113.314 -2.142 17554 8153 1 14 . 1 1 115 115 SER HA H 115 4.333 4.333 4.101 0.232 17554 8154 1 14 . 1 1 115 115 SER CA C 115 58.593 58.593 58.910 -0.317 17554 8155 1 14 . 1 1 115 115 SER CB C 115 64.067 64.067 63.328 0.739 17554 8156 1 14 . 1 1 115 115 SER H H 115 7.723 7.723 7.498 0.225 17554 8157 1 14 . 1 1 116 116 HIS N N 116 119.686 119.686 119.659 0.027 17554 8158 1 14 . 1 1 116 116 HIS HA H 116 4.749 4.749 4.690 0.059 17554 8159 1 14 . 1 1 116 116 HIS CA C 116 54.476 54.476 53.446 1.030 17554 8160 1 14 . 1 1 116 116 HIS CB C 116 27.310 27.310 29.599 -2.289 17554 8161 1 14 . 1 1 116 116 HIS H H 116 7.407 7.407 7.650 -0.243 17554 8162 1 14 . 1 1 117 117 PRO HA H 117 4.465 4.465 4.134 0.331 17554 8163 1 14 . 1 1 117 117 PRO CA C 117 64.170 64.170 65.471 -1.301 17554 8164 1 14 . 1 1 117 117 PRO CB C 117 31.939 31.939 32.303 -0.365 17554 8165 1 14 . 1 1 118 118 GLU N N 118 119.986 119.986 113.093 6.893 17554 8166 1 14 . 1 1 118 118 GLU HA H 118 4.338 4.338 4.396 -0.058 17554 8167 1 14 . 1 1 118 118 GLU CA C 118 56.440 56.440 56.711 -0.271 17554 8168 1 14 . 1 1 118 118 GLU CB C 118 29.469 29.469 30.886 -1.417 17554 8169 1 14 . 1 1 118 118 GLU H H 118 8.667 8.667 8.253 0.414 17554 8170 1 14 . 1 1 119 119 PHE N N 119 121.581 121.581 120.885 0.696 17554 8171 1 14 . 1 1 119 119 PHE HA H 119 4.632 4.632 4.679 -0.047 17554 8172 1 14 . 1 1 119 119 PHE CA C 119 57.981 57.981 57.817 0.164 17554 8173 1 14 . 1 1 119 119 PHE CB C 119 39.805 39.805 40.145 -0.340 17554 8174 1 14 . 1 1 119 119 PHE H H 119 8.054 8.054 7.903 0.151 17554 8175 1 14 . 1 1 120 120 GLU N N 120 123.882 123.882 119.910 3.972 17554 8176 1 14 . 1 1 120 120 GLU HA H 120 4.273 4.273 4.088 0.185 17554 8177 1 14 . 1 1 120 120 GLU CA C 120 56.127 56.127 57.316 -1.190 17554 8178 1 14 . 1 1 120 120 GLU CB C 120 30.789 30.789 29.285 1.504 17554 8179 1 14 . 1 1 120 120 GLU H H 120 8.264 8.264 8.033 0.231 17554 8180 1 14 . 1 1 121 121 GLU N N 121 122.504 122.504 120.604 1.900 17554 8181 1 14 . 1 1 121 121 GLU HA H 121 4.213 4.213 4.528 -0.315 17554 8182 1 14 . 1 1 121 121 GLU CA C 121 56.634 56.634 55.512 1.122 17554 8183 1 14 . 1 1 121 121 GLU CB C 121 30.580 30.580 30.934 -0.354 17554 8184 1 14 . 1 1 121 121 GLU H H 121 8.398 8.398 8.191 0.207 17554 8185 1 14 . 1 1 122 122 ASP N N 122 121.820 121.820 119.947 1.873 17554 8186 1 14 . 1 1 122 122 ASP HA H 122 4.627 4.627 4.434 0.193 17554 8187 1 14 . 1 1 122 122 ASP CA C 122 54.443 54.443 54.467 -0.024 17554 8188 1 14 . 1 1 122 122 ASP CB C 122 41.237 41.237 40.462 0.775 17554 8189 1 14 . 1 1 122 122 ASP H H 122 8.478 8.478 8.435 0.043 17554 8190 1 14 . 1 1 123 123 SER N N 123 116.397 116.397 117.364 -0.967 17554 8191 1 14 . 1 1 123 123 SER HA H 123 4.392 4.392 4.470 -0.078 17554 8192 1 14 . 1 1 123 123 SER CA C 123 58.605 58.605 58.232 0.373 17554 8193 1 14 . 1 1 123 123 SER CB C 123 64.064 64.064 63.303 0.761 17554 8194 1 14 . 1 1 123 123 SER H H 123 8.236 8.236 8.437 -0.201 17554 8195 1 14 . 1 1 124 124 ASP N N 124 122.070 122.070 127.632 -5.562 17554 8196 1 14 . 1 1 124 124 ASP HA H 124 4.599 4.599 4.633 -0.034 17554 8197 1 14 . 1 1 124 124 ASP CA C 124 54.501 54.501 55.340 -0.839 17554 8198 1 14 . 1 1 124 124 ASP CB C 124 41.106 41.106 40.645 0.460 17554 8199 1 14 . 1 1 124 124 ASP H H 124 8.378 8.378 8.839 -0.461 17554 8200 1 14 . 1 1 125 125 PHE N N 125 120.274 120.274 121.052 -0.778 17554 8201 1 14 . 1 1 125 125 PHE HA H 125 4.623 4.623 4.544 0.079 17554 8202 1 14 . 1 1 125 125 PHE CA C 125 57.913 57.913 58.911 -0.998 17554 8203 1 14 . 1 1 125 125 PHE CB C 125 39.601 39.601 39.745 -0.144 17554 8204 1 14 . 1 1 125 125 PHE H H 125 8.049 8.049 8.086 -0.037 17554 8205 1 15 . 1 1 2 2 ILE N N 2 117.266 117.266 122.705 -5.439 17554 8206 1 15 . 1 1 2 2 ILE HA H 2 3.919 3.919 4.439 -0.520 17554 8207 1 15 . 1 1 2 2 ILE CA C 2 60.653 60.653 60.852 -0.199 17554 8208 1 15 . 1 1 2 2 ILE CB C 2 41.029 41.029 39.304 1.725 17554 8209 1 15 . 1 1 2 2 ILE H H 2 7.746 7.746 8.251 -0.505 17554 8210 1 15 . 1 1 3 3 ASP N N 3 125.895 125.895 129.428 -3.533 17554 8211 1 15 . 1 1 3 3 ASP HA H 3 4.606 4.606 4.606 -0.000 17554 8212 1 15 . 1 1 3 3 ASP CA C 3 54.349 54.349 55.000 -0.651 17554 8213 1 15 . 1 1 3 3 ASP CB C 3 41.214 41.214 39.533 1.681 17554 8214 1 15 . 1 1 3 3 ASP H H 3 8.328 8.328 8.990 -0.662 17554 8215 1 15 . 1 1 4 4 GLU N N 4 128.620 128.620 122.374 6.246 17554 8216 1 15 . 1 1 4 4 GLU HA H 4 3.948 3.948 4.172 -0.224 17554 8217 1 15 . 1 1 4 4 GLU CA C 4 58.981 58.981 58.512 0.469 17554 8218 1 15 . 1 1 4 4 GLU CB C 4 29.631 29.631 29.602 0.029 17554 8219 1 15 . 1 1 4 4 GLU H H 4 8.991 8.991 8.225 0.766 17554 8220 1 15 . 1 1 5 5 SER N N 5 115.342 115.342 115.831 -0.489 17554 8221 1 15 . 1 1 5 5 SER HA H 5 4.254 4.254 4.171 0.083 17554 8222 1 15 . 1 1 5 5 SER CA C 5 61.961 61.961 61.996 -0.035 17554 8223 1 15 . 1 1 5 5 SER CB C 5 62.222 62.222 62.715 -0.493 17554 8224 1 15 . 1 1 5 5 SER H H 5 8.634 8.634 8.481 0.153 17554 8225 1 15 . 1 1 6 6 SER N N 6 119.418 119.418 117.641 1.777 17554 8226 1 15 . 1 1 6 6 SER HA H 6 4.354 4.354 4.275 0.079 17554 8227 1 15 . 1 1 6 6 SER CA C 6 61.729 61.729 61.687 0.042 17554 8228 1 15 . 1 1 6 6 SER CB C 6 63.366 63.366 62.927 0.439 17554 8229 1 15 . 1 1 6 6 SER H H 6 7.670 7.670 7.922 -0.252 17554 8230 1 15 . 1 1 7 7 VAL N N 7 120.774 120.774 122.352 -1.578 17554 8231 1 15 . 1 1 7 7 VAL HA H 7 3.234 3.234 3.880 -0.646 17554 8232 1 15 . 1 1 7 7 VAL CA C 7 67.151 67.151 65.132 2.018 17554 8233 1 15 . 1 1 7 7 VAL CB C 7 31.792 31.792 31.770 0.022 17554 8234 1 15 . 1 1 7 7 VAL H H 7 7.286 7.286 7.645 -0.359 17554 8235 1 15 . 1 1 8 8 MET N N 8 116.159 116.159 118.761 -2.602 17554 8236 1 15 . 1 1 8 8 MET HA H 8 4.356 4.356 4.003 0.353 17554 8237 1 15 . 1 1 8 8 MET CA C 8 57.482 57.482 59.604 -2.122 17554 8238 1 15 . 1 1 8 8 MET CB C 8 31.341 31.341 32.132 -0.791 17554 8239 1 15 . 1 1 8 8 MET H H 8 8.244 8.244 8.134 0.110 17554 8240 1 15 . 1 1 9 9 GLN N N 9 119.708 119.708 119.274 0.434 17554 8241 1 15 . 1 1 9 9 GLN HA H 9 4.101 4.101 4.037 0.064 17554 8242 1 15 . 1 1 9 9 GLN CA C 9 59.331 59.331 58.719 0.612 17554 8243 1 15 . 1 1 9 9 GLN CB C 9 28.880 28.880 28.271 0.609 17554 8244 1 15 . 1 1 9 9 GLN H H 9 7.855 7.855 8.123 -0.268 17554 8245 1 15 . 1 1 10 10 LEU N N 10 118.986 118.986 118.853 0.133 17554 8246 1 15 . 1 1 10 10 LEU HA H 10 4.463 4.463 4.079 0.384 17554 8247 1 15 . 1 1 10 10 LEU CA C 10 57.438 57.438 57.567 -0.129 17554 8248 1 15 . 1 1 10 10 LEU CB C 10 42.943 42.943 41.312 1.631 17554 8249 1 15 . 1 1 10 10 LEU H H 10 7.432 7.432 7.790 -0.358 17554 8250 1 15 . 1 1 11 11 ALA N N 11 125.146 125.146 122.024 3.122 17554 8251 1 15 . 1 1 11 11 ALA HA H 11 4.411 4.411 4.476 -0.065 17554 8252 1 15 . 1 1 11 11 ALA CA C 11 55.259 55.259 54.439 0.820 17554 8253 1 15 . 1 1 11 11 ALA CB C 11 17.734 17.734 18.681 -0.947 17554 8254 1 15 . 1 1 11 11 ALA H H 11 8.797 8.797 8.302 0.495 17554 8255 1 15 . 1 1 12 12 GLU N N 12 119.871 119.871 117.283 2.588 17554 8256 1 15 . 1 1 12 12 GLU HA H 12 4.117 4.117 4.173 -0.056 17554 8257 1 15 . 1 1 12 12 GLU CA C 12 58.473 58.473 58.594 -0.122 17554 8258 1 15 . 1 1 12 12 GLU CB C 12 29.531 29.531 29.826 -0.295 17554 8259 1 15 . 1 1 12 12 GLU H H 12 8.178 8.178 8.407 -0.229 17554 8260 1 15 . 1 1 13 13 MET N N 13 116.292 116.292 113.448 2.844 17554 8261 1 15 . 1 1 13 13 MET HA H 13 4.296 4.296 4.781 -0.485 17554 8262 1 15 . 1 1 13 13 MET CA C 13 56.797 56.797 54.788 2.009 17554 8263 1 15 . 1 1 13 13 MET CB C 13 33.221 33.221 33.434 -0.213 17554 8264 1 15 . 1 1 13 13 MET H H 13 7.619 7.619 7.268 0.351 17554 8265 1 15 . 1 1 14 14 GLY N N 14 104.580 104.580 108.026 -3.446 17554 8266 1 15 . 1 1 14 14 GLY CA C 14 44.860 44.860 44.824 0.036 17554 8267 1 15 . 1 1 14 14 GLY H H 14 7.873 7.873 7.712 0.161 17554 8268 1 15 . 1 1 15 15 PHE N N 15 118.802 118.802 118.500 0.302 17554 8269 1 15 . 1 1 15 15 PHE HA H 15 5.017 5.017 4.209 0.808 17554 8270 1 15 . 1 1 15 15 PHE CA C 15 56.352 56.352 58.171 -1.819 17554 8271 1 15 . 1 1 15 15 PHE CB C 15 39.395 39.395 38.676 0.719 17554 8272 1 15 . 1 1 15 15 PHE H H 15 6.623 6.623 7.671 -1.048 17554 8273 1 15 . 1 1 16 16 PRO HA H 16 4.530 4.530 4.535 -0.005 17554 8274 1 15 . 1 1 16 16 PRO CA C 16 63.064 63.064 63.166 -0.102 17554 8275 1 15 . 1 1 16 16 PRO CB C 16 32.293 32.293 30.959 1.333 17554 8276 1 15 . 1 1 17 17 LEU N N 17 128.389 128.389 126.966 1.423 17554 8277 1 15 . 1 1 17 17 LEU HA H 17 3.945 3.945 4.338 -0.393 17554 8278 1 15 . 1 1 17 17 LEU CA C 17 59.601 59.601 54.075 5.526 17554 8279 1 15 . 1 1 17 17 LEU CB C 17 42.248 42.248 39.643 2.605 17554 8280 1 15 . 1 1 17 17 LEU H H 17 9.041 9.041 8.123 0.918 17554 8281 1 15 . 1 1 18 18 GLU N N 18 114.837 114.837 124.673 -9.836 17554 8282 1 15 . 1 1 18 18 GLU HA H 18 4.067 4.067 3.945 0.122 17554 8283 1 15 . 1 1 18 18 GLU CA C 18 59.139 59.139 59.547 -0.408 17554 8284 1 15 . 1 1 18 18 GLU CB C 18 28.874 28.874 29.545 -0.671 17554 8285 1 15 . 1 1 18 18 GLU H H 18 9.267 9.267 8.449 0.818 17554 8286 1 15 . 1 1 19 19 ALA N N 19 119.137 119.137 122.301 -3.164 17554 8287 1 15 . 1 1 19 19 ALA HA H 19 3.918 3.918 4.141 -0.223 17554 8288 1 15 . 1 1 19 19 ALA CA C 19 54.872 54.872 55.239 -0.367 17554 8289 1 15 . 1 1 19 19 ALA CB C 19 17.972 17.972 18.201 -0.229 17554 8290 1 15 . 1 1 19 19 ALA H H 19 6.838 6.838 8.265 -1.427 17554 8291 1 15 . 1 1 20 20 CYS N N 20 116.877 116.877 117.808 -0.931 17554 8292 1 15 . 1 1 20 20 CYS HA H 20 3.891 3.891 4.305 -0.414 17554 8293 1 15 . 1 1 20 20 CYS CA C 20 63.356 63.356 60.831 2.525 17554 8294 1 15 . 1 1 20 20 CYS CB C 20 28.018 28.018 26.454 1.564 17554 8295 1 15 . 1 1 20 20 CYS H H 20 7.610 7.610 8.445 -0.835 17554 8296 1 15 . 1 1 21 21 ARG N N 21 117.434 117.434 120.760 -3.326 17554 8297 1 15 . 1 1 21 21 ARG HA H 21 3.696 3.696 3.927 -0.231 17554 8298 1 15 . 1 1 21 21 ARG CA C 21 60.192 60.192 60.000 0.192 17554 8299 1 15 . 1 1 21 21 ARG CB C 21 30.175 30.175 30.243 -0.068 17554 8300 1 15 . 1 1 21 21 ARG H H 21 7.965 7.965 7.779 0.186 17554 8301 1 15 . 1 1 22 22 LYS N N 22 117.667 117.667 117.790 -0.123 17554 8302 1 15 . 1 1 22 22 LYS HA H 22 3.412 3.412 4.251 -0.839 17554 8303 1 15 . 1 1 22 22 LYS CA C 22 60.181 60.181 59.011 1.170 17554 8304 1 15 . 1 1 22 22 LYS CB C 22 32.085 32.085 32.158 -0.073 17554 8305 1 15 . 1 1 22 22 LYS H H 22 7.392 7.392 8.548 -1.156 17554 8306 1 15 . 1 1 23 23 ALA N N 23 120.670 120.670 123.789 -3.119 17554 8307 1 15 . 1 1 23 23 ALA HA H 23 3.015 3.015 4.110 -1.095 17554 8308 1 15 . 1 1 23 23 ALA CA C 23 54.845 54.845 54.892 -0.047 17554 8309 1 15 . 1 1 23 23 ALA CB C 23 19.900 19.900 18.227 1.673 17554 8310 1 15 . 1 1 23 23 ALA H H 23 8.043 8.043 7.851 0.192 17554 8311 1 15 . 1 1 24 24 VAL N N 24 117.629 117.629 119.844 -2.215 17554 8312 1 15 . 1 1 24 24 VAL HA H 24 3.510 3.510 3.559 -0.049 17554 8313 1 15 . 1 1 24 24 VAL CA C 24 65.665 65.665 66.850 -1.185 17554 8314 1 15 . 1 1 24 24 VAL CB C 24 32.009 32.009 31.681 0.327 17554 8315 1 15 . 1 1 24 24 VAL H H 24 7.381 7.381 8.758 -1.377 17554 8316 1 15 . 1 1 25 25 TYR N N 25 120.392 120.392 121.473 -1.081 17554 8317 1 15 . 1 1 25 25 TYR HA H 25 3.860 3.860 4.107 -0.247 17554 8318 1 15 . 1 1 25 25 TYR CA C 25 62.098 62.098 60.962 1.136 17554 8319 1 15 . 1 1 25 25 TYR CB C 25 38.735 38.735 38.699 0.036 17554 8320 1 15 . 1 1 25 25 TYR H H 25 8.029 8.029 7.676 0.353 17554 8321 1 15 . 1 1 26 26 PHE N N 26 116.460 116.460 118.511 -2.051 17554 8322 1 15 . 1 1 26 26 PHE HA H 26 4.181 4.181 4.005 0.176 17554 8323 1 15 . 1 1 26 26 PHE CA C 26 60.345 60.345 60.548 -0.203 17554 8324 1 15 . 1 1 26 26 PHE CB C 26 37.917 37.917 39.246 -1.329 17554 8325 1 15 . 1 1 26 26 PHE H H 26 9.102 9.102 8.369 0.733 17554 8326 1 15 . 1 1 27 27 THR N N 27 106.212 106.212 109.338 -3.126 17554 8327 1 15 . 1 1 27 27 THR HA H 27 4.477 4.477 3.693 0.784 17554 8328 1 15 . 1 1 27 27 THR CA C 27 61.195 61.195 62.616 -1.421 17554 8329 1 15 . 1 1 27 27 THR CB C 27 69.061 69.061 69.078 -0.017 17554 8330 1 15 . 1 1 27 27 THR H H 27 7.050 7.050 7.962 -0.912 17554 8331 1 15 . 1 1 28 28 GLY N N 28 107.275 107.275 109.703 -2.428 17554 8332 1 15 . 1 1 28 28 GLY CA C 28 46.575 46.575 44.801 1.774 17554 8333 1 15 . 1 1 28 28 GLY H H 28 7.278 7.278 7.336 -0.058 17554 8334 1 15 . 1 1 29 29 ASN N N 29 118.189 118.189 115.456 2.733 17554 8335 1 15 . 1 1 29 29 ASN HA H 29 4.342 4.342 4.348 -0.006 17554 8336 1 15 . 1 1 29 29 ASN CA C 29 53.614 53.614 54.204 -0.590 17554 8337 1 15 . 1 1 29 29 ASN CB C 29 37.302 37.302 36.688 0.614 17554 8338 1 15 . 1 1 29 29 ASN H H 29 8.704 8.704 8.702 0.002 17554 8339 1 15 . 1 1 30 30 MET N N 30 119.241 119.241 117.085 2.156 17554 8340 1 15 . 1 1 30 30 MET HA H 30 4.791 4.791 4.375 0.416 17554 8341 1 15 . 1 1 30 30 MET CA C 30 53.943 53.943 54.792 -0.849 17554 8342 1 15 . 1 1 30 30 MET CB C 30 33.263 33.263 32.785 0.478 17554 8343 1 15 . 1 1 30 30 MET H H 30 8.921 8.921 7.567 1.354 17554 8344 1 15 . 1 1 31 31 GLY N N 31 109.623 109.623 104.994 4.629 17554 8345 1 15 . 1 1 31 31 GLY CA C 31 44.151 44.151 44.283 -0.132 17554 8346 1 15 . 1 1 31 31 GLY H H 31 8.349 8.349 7.449 0.899 17554 8347 1 15 . 1 1 32 32 ALA N N 32 121.096 121.096 122.427 -1.331 17554 8348 1 15 . 1 1 32 32 ALA HA H 32 3.980 3.980 4.233 -0.253 17554 8349 1 15 . 1 1 32 32 ALA CA C 32 55.192 55.192 54.169 1.023 17554 8350 1 15 . 1 1 32 32 ALA CB C 32 19.058 19.058 19.101 -0.043 17554 8351 1 15 . 1 1 32 32 ALA H H 32 8.899 8.899 8.550 0.349 17554 8352 1 15 . 1 1 33 33 GLU N N 33 119.428 119.428 119.065 0.363 17554 8353 1 15 . 1 1 33 33 GLU HA H 33 4.095 4.095 4.067 0.028 17554 8354 1 15 . 1 1 33 33 GLU CA C 33 60.864 60.864 59.846 1.018 17554 8355 1 15 . 1 1 33 33 GLU CB C 33 28.661 28.661 29.362 -0.701 17554 8356 1 15 . 1 1 33 33 GLU H H 33 8.705 8.705 8.688 0.017 17554 8357 1 15 . 1 1 34 34 VAL N N 34 117.216 117.216 119.171 -1.955 17554 8358 1 15 . 1 1 34 34 VAL HA H 34 4.062 4.062 3.874 0.188 17554 8359 1 15 . 1 1 34 34 VAL CA C 34 65.178 65.178 66.094 -0.916 17554 8360 1 15 . 1 1 34 34 VAL CB C 34 31.684 31.684 31.541 0.143 17554 8361 1 15 . 1 1 34 34 VAL H H 34 8.178 8.178 8.072 0.106 17554 8362 1 15 . 1 1 35 35 ALA N N 35 123.635 123.635 122.570 1.065 17554 8363 1 15 . 1 1 35 35 ALA HA H 35 4.289 4.289 4.214 0.075 17554 8364 1 15 . 1 1 35 35 ALA CA C 35 54.787 54.787 54.935 -0.149 17554 8365 1 15 . 1 1 35 35 ALA CB C 35 19.794 19.794 18.494 1.300 17554 8366 1 15 . 1 1 35 35 ALA H H 35 7.178 7.178 7.571 -0.393 17554 8367 1 15 . 1 1 36 36 PHE N N 36 120.976 120.976 120.311 0.665 17554 8368 1 15 . 1 1 36 36 PHE HA H 36 4.079 4.079 4.141 -0.062 17554 8369 1 15 . 1 1 36 36 PHE CA C 36 61.339 61.339 61.794 -0.455 17554 8370 1 15 . 1 1 36 36 PHE CB C 36 38.952 38.952 39.237 -0.285 17554 8371 1 15 . 1 1 36 36 PHE H H 36 8.832 8.832 8.944 -0.112 17554 8372 1 15 . 1 1 37 37 ASN N N 37 114.823 114.823 117.421 -2.598 17554 8373 1 15 . 1 1 37 37 ASN HA H 37 4.318 4.318 4.283 0.035 17554 8374 1 15 . 1 1 37 37 ASN CA C 37 56.379 56.379 56.169 0.210 17554 8375 1 15 . 1 1 37 37 ASN CB C 37 38.288 38.288 38.106 0.182 17554 8376 1 15 . 1 1 37 37 ASN H H 37 7.591 7.591 8.613 -1.022 17554 8377 1 15 . 1 1 38 38 TRP N N 38 119.984 119.984 121.851 -1.867 17554 8378 1 15 . 1 1 38 38 TRP HA H 38 4.191 4.191 4.524 -0.333 17554 8379 1 15 . 1 1 38 38 TRP CA C 38 62.279 62.279 60.418 1.861 17554 8380 1 15 . 1 1 38 38 TRP CB C 38 30.545 30.545 29.860 0.685 17554 8381 1 15 . 1 1 38 38 TRP H H 38 7.630 7.630 8.219 -0.589 17554 8382 1 15 . 1 1 39 39 ILE N N 39 121.183 121.183 121.141 0.042 17554 8383 1 15 . 1 1 39 39 ILE HA H 39 3.647 3.647 3.890 -0.243 17554 8384 1 15 . 1 1 39 39 ILE CA C 39 65.651 65.651 63.035 2.616 17554 8385 1 15 . 1 1 39 39 ILE CB C 39 36.375 36.375 38.132 -1.757 17554 8386 1 15 . 1 1 39 39 ILE H H 39 8.017 8.017 8.275 -0.258 17554 8387 1 15 . 1 1 40 40 ILE N N 40 115.084 115.084 116.562 -1.478 17554 8388 1 15 . 1 1 40 40 ILE HA H 40 3.665 3.665 3.740 -0.075 17554 8389 1 15 . 1 1 40 40 ILE CA C 40 63.224 63.224 64.256 -1.032 17554 8390 1 15 . 1 1 40 40 ILE CB C 40 36.681 36.681 37.287 -0.606 17554 8391 1 15 . 1 1 40 40 ILE H H 40 7.474 7.474 7.455 0.019 17554 8392 1 15 . 1 1 41 41 VAL N N 41 116.045 116.045 119.217 -3.172 17554 8393 1 15 . 1 1 41 41 VAL HA H 41 3.661 3.661 3.579 0.082 17554 8394 1 15 . 1 1 41 41 VAL CA C 41 64.452 64.452 65.782 -1.330 17554 8395 1 15 . 1 1 41 41 VAL CB C 41 32.156 32.156 31.579 0.577 17554 8396 1 15 . 1 1 41 41 VAL H H 41 7.054 7.054 7.452 -0.398 17554 8397 1 15 . 1 1 42 42 HIS N N 42 115.595 115.595 116.455 -0.860 17554 8398 1 15 . 1 1 42 42 HIS HA H 42 4.098 4.098 4.589 -0.491 17554 8399 1 15 . 1 1 42 42 HIS CA C 42 57.365 57.365 56.200 1.165 17554 8400 1 15 . 1 1 42 42 HIS CB C 42 28.251 28.251 28.603 -0.352 17554 8401 1 15 . 1 1 42 42 HIS H H 42 7.353 7.353 7.837 -0.484 17554 8402 1 15 . 1 1 43 43 MET N N 43 117.495 117.495 118.221 -0.726 17554 8403 1 15 . 1 1 43 43 MET HA H 43 2.064 2.064 3.731 -1.667 17554 8404 1 15 . 1 1 43 43 MET CA C 43 57.980 57.980 58.080 -0.100 17554 8405 1 15 . 1 1 43 43 MET CB C 43 32.258 32.258 31.631 0.627 17554 8406 1 15 . 1 1 43 43 MET H H 43 7.373 7.373 7.517 -0.144 17554 8407 1 15 . 1 1 44 44 GLU N N 44 116.844 116.844 116.020 0.824 17554 8408 1 15 . 1 1 44 44 GLU HA H 44 4.346 4.346 3.939 0.407 17554 8409 1 15 . 1 1 44 44 GLU CA C 44 55.838 55.838 56.660 -0.821 17554 8410 1 15 . 1 1 44 44 GLU CB C 44 29.351 29.351 29.044 0.306 17554 8411 1 15 . 1 1 44 44 GLU H H 44 8.102 8.102 7.760 0.342 17554 8412 1 15 . 1 1 45 45 GLU N N 45 121.925 121.925 120.927 0.998 17554 8413 1 15 . 1 1 45 45 GLU HA H 45 4.426 4.426 4.391 0.035 17554 8414 1 15 . 1 1 45 45 GLU CA C 45 55.141 55.141 54.352 0.789 17554 8415 1 15 . 1 1 45 45 GLU CB C 45 28.513 28.513 29.360 -0.847 17554 8416 1 15 . 1 1 45 45 GLU H H 45 7.853 7.853 7.183 0.670 17554 8417 1 15 . 1 1 46 46 PRO HA H 46 4.440 4.440 4.315 0.125 17554 8418 1 15 . 1 1 46 46 PRO CA C 46 65.070 65.070 65.528 -0.457 17554 8419 1 15 . 1 1 46 46 PRO CB C 46 31.850 31.850 31.978 -0.128 17554 8420 1 15 . 1 1 47 47 ASP N N 47 115.051 115.051 116.038 -0.987 17554 8421 1 15 . 1 1 47 47 ASP HA H 47 4.686 4.686 4.683 0.003 17554 8422 1 15 . 1 1 47 47 ASP CA C 47 52.841 52.841 52.574 0.267 17554 8423 1 15 . 1 1 47 47 ASP CB C 47 39.711 39.711 40.438 -0.727 17554 8424 1 15 . 1 1 47 47 ASP H H 47 8.437 8.437 8.482 -0.045 17554 8425 1 15 . 1 1 48 48 PHE N N 48 122.693 122.693 117.055 5.638 17554 8426 1 15 . 1 1 48 48 PHE HA H 48 4.522 4.522 4.327 0.195 17554 8427 1 15 . 1 1 48 48 PHE CA C 48 60.887 60.887 57.869 3.018 17554 8428 1 15 . 1 1 48 48 PHE CB C 48 40.495 40.495 38.696 1.799 17554 8429 1 15 . 1 1 48 48 PHE H H 48 7.695 7.695 7.793 -0.098 17554 8430 1 15 . 1 1 49 49 ALA N N 49 117.185 117.185 120.443 -3.258 17554 8431 1 15 . 1 1 49 49 ALA HA H 49 4.099 4.099 4.477 -0.378 17554 8432 1 15 . 1 1 49 49 ALA CA C 49 51.211 51.211 50.440 0.771 17554 8433 1 15 . 1 1 49 49 ALA CB C 49 19.067 19.067 20.349 -1.282 17554 8434 1 15 . 1 1 49 49 ALA H H 49 8.643 8.643 7.079 1.564 17554 8435 1 15 . 1 1 50 50 GLU N N 50 119.707 119.707 124.569 -4.862 17554 8436 1 15 . 1 1 50 50 GLU HA H 50 4.412 4.412 4.260 0.152 17554 8437 1 15 . 1 1 50 50 GLU CA C 50 54.755 54.755 54.609 0.146 17554 8438 1 15 . 1 1 50 50 GLU CB C 50 29.274 29.274 29.419 -0.145 17554 8439 1 15 . 1 1 50 50 GLU H H 50 7.412 7.412 8.438 -1.026 17554 8440 1 15 . 1 1 51 51 PRO HA H 51 4.315 4.315 4.508 -0.193 17554 8441 1 15 . 1 1 51 51 PRO CA C 51 62.863 62.863 62.816 0.047 17554 8442 1 15 . 1 1 51 51 PRO CB C 51 32.408 32.408 30.828 1.581 17554 8443 1 15 . 1 1 52 52 LEU N N 52 123.507 123.507 124.015 -0.508 17554 8444 1 15 . 1 1 52 52 LEU HA H 52 4.210 4.210 4.636 -0.426 17554 8445 1 15 . 1 1 52 52 LEU CA C 52 55.217 55.217 55.010 0.207 17554 8446 1 15 . 1 1 52 52 LEU CB C 52 42.918 42.918 41.885 1.033 17554 8447 1 15 . 1 1 52 52 LEU H H 52 8.475 8.475 7.938 0.537 17554 8448 1 15 . 1 1 53 53 THR N N 53 119.005 119.005 117.191 1.814 17554 8449 1 15 . 1 1 53 53 THR HA H 53 4.292 4.292 4.165 0.127 17554 8450 1 15 . 1 1 53 53 THR CA C 53 61.478 61.478 62.687 -1.209 17554 8451 1 15 . 1 1 53 53 THR CB C 53 69.752 69.752 69.095 0.657 17554 8452 1 15 . 1 1 53 53 THR H H 53 8.371 8.371 8.072 0.299 17554 8453 1 15 . 1 1 54 54 MET N N 54 124.439 124.439 122.292 2.147 17554 8454 1 15 . 1 1 54 54 MET HA H 54 4.651 4.651 4.725 -0.074 17554 8455 1 15 . 1 1 54 54 MET CA C 54 53.235 53.235 52.851 0.384 17554 8456 1 15 . 1 1 54 54 MET CB C 54 32.605 32.605 31.901 0.704 17554 8457 1 15 . 1 1 54 54 MET H H 54 8.264 8.264 7.959 0.305 17554 8458 1 15 . 1 1 55 55 PRO HA H 55 4.368 4.368 4.450 -0.082 17554 8459 1 15 . 1 1 55 55 PRO CA C 55 63.668 63.668 62.671 0.997 17554 8460 1 15 . 1 1 55 55 PRO CB C 55 32.038 32.038 32.340 -0.302 17554 8461 1 15 . 1 1 56 56 GLY N N 56 109.663 109.663 107.944 1.719 17554 8462 1 15 . 1 1 56 56 GLY CA C 56 45.314 45.314 44.440 0.874 17554 8463 1 15 . 1 1 56 56 GLY H H 56 8.461 8.461 8.111 0.350 17554 8464 1 15 . 1 1 57 57 TYR N N 57 120.317 120.317 123.557 -3.240 17554 8465 1 15 . 1 1 57 57 TYR HA H 57 4.528 4.528 4.440 0.088 17554 8466 1 15 . 1 1 57 57 TYR CA C 57 58.132 58.132 58.925 -0.793 17554 8467 1 15 . 1 1 57 57 TYR CB C 57 38.958 38.958 39.109 -0.151 17554 8468 1 15 . 1 1 57 57 TYR H H 57 8.033 8.033 8.583 -0.550 17554 8469 1 15 . 1 1 58 58 GLY N N 58 111.694 111.694 114.107 -2.413 17554 8470 1 15 . 1 1 58 58 GLY CA C 58 45.489 45.489 44.262 1.227 17554 8471 1 15 . 1 1 58 58 GLY H H 58 8.423 8.423 7.871 0.552 17554 8472 1 15 . 1 1 59 59 GLY N N 59 108.403 108.403 107.020 1.383 17554 8473 1 15 . 1 1 59 59 GLY CA C 59 45.210 45.210 44.605 0.605 17554 8474 1 15 . 1 1 59 59 GLY H H 59 7.871 7.871 7.803 0.068 17554 8475 1 15 . 1 1 60 60 ALA N N 60 123.835 123.835 122.078 1.757 17554 8476 1 15 . 1 1 60 60 ALA HA H 60 4.294 4.294 4.154 0.140 17554 8477 1 15 . 1 1 60 60 ALA CA C 60 52.710 52.710 53.010 -0.300 17554 8478 1 15 . 1 1 60 60 ALA CB C 60 19.353 19.353 19.234 0.119 17554 8479 1 15 . 1 1 60 60 ALA H H 60 8.207 8.207 8.268 -0.061 17554 8480 1 15 . 1 1 61 61 ALA N N 61 123.032 123.032 126.145 -3.113 17554 8481 1 15 . 1 1 61 61 ALA HA H 61 4.316 4.316 4.364 -0.048 17554 8482 1 15 . 1 1 61 61 ALA CA C 61 52.751 52.751 51.721 1.030 17554 8483 1 15 . 1 1 61 61 ALA CB C 61 19.096 19.096 19.151 -0.055 17554 8484 1 15 . 1 1 61 61 ALA H H 61 8.331 8.331 8.337 -0.006 17554 8485 1 15 . 1 1 62 62 SER N N 62 114.625 114.625 115.517 -0.892 17554 8486 1 15 . 1 1 62 62 SER HA H 62 4.406 4.406 4.654 -0.248 17554 8487 1 15 . 1 1 62 62 SER CA C 62 58.283 58.283 57.607 0.676 17554 8488 1 15 . 1 1 62 62 SER CB C 62 63.858 63.858 64.579 -0.721 17554 8489 1 15 . 1 1 62 62 SER H H 62 8.158 8.158 7.729 0.429 17554 8490 1 15 . 1 1 63 63 ALA N N 63 125.890 125.890 129.104 -3.214 17554 8491 1 15 . 1 1 63 63 ALA HA H 63 4.314 4.314 4.514 -0.200 17554 8492 1 15 . 1 1 63 63 ALA CA C 63 52.926 52.926 51.820 1.106 17554 8493 1 15 . 1 1 63 63 ALA CB C 63 19.216 19.216 18.059 1.157 17554 8494 1 15 . 1 1 63 63 ALA H H 63 8.294 8.294 8.732 -0.438 17554 8495 1 15 . 1 1 64 64 GLY N N 64 107.980 107.980 110.131 -2.151 17554 8496 1 15 . 1 1 64 64 GLY CA C 64 45.324 45.324 45.920 -0.596 17554 8497 1 15 . 1 1 64 64 GLY H H 64 8.321 8.321 8.885 -0.564 17554 8498 1 15 . 1 1 65 65 ALA N N 65 123.524 123.524 122.092 1.432 17554 8499 1 15 . 1 1 65 65 ALA HA H 65 4.330 4.330 4.398 -0.068 17554 8500 1 15 . 1 1 65 65 ALA CA C 65 52.589 52.589 51.704 0.885 17554 8501 1 15 . 1 1 65 65 ALA CB C 65 19.438 19.438 19.318 0.120 17554 8502 1 15 . 1 1 65 65 ALA H H 65 8.088 8.088 7.988 0.100 17554 8503 1 15 . 1 1 66 66 SER N N 66 115.072 115.072 115.486 -0.414 17554 8504 1 15 . 1 1 66 66 SER HA H 66 4.442 4.442 4.372 0.070 17554 8505 1 15 . 1 1 66 66 SER CA C 66 58.334 58.334 58.320 0.014 17554 8506 1 15 . 1 1 66 66 SER CB C 66 63.804 63.804 63.207 0.597 17554 8507 1 15 . 1 1 66 66 SER H H 66 8.297 8.297 8.378 -0.081 17554 8508 1 15 . 1 1 67 67 VAL N N 67 121.228 121.228 120.057 1.171 17554 8509 1 15 . 1 1 67 67 VAL HA H 67 4.075 4.075 4.110 -0.035 17554 8510 1 15 . 1 1 67 67 VAL CA C 67 62.417 62.417 64.046 -1.629 17554 8511 1 15 . 1 1 67 67 VAL CB C 67 32.611 32.611 31.596 1.015 17554 8512 1 15 . 1 1 67 67 VAL H H 67 8.007 8.007 8.181 -0.174 17554 8513 1 15 . 1 1 68 68 PHE N N 68 123.068 123.068 121.655 1.413 17554 8514 1 15 . 1 1 68 68 PHE HA H 68 4.618 4.618 4.800 -0.182 17554 8515 1 15 . 1 1 68 68 PHE CA C 68 57.981 57.981 57.913 0.068 17554 8516 1 15 . 1 1 68 68 PHE CB C 68 39.618 39.618 38.778 0.840 17554 8517 1 15 . 1 1 68 68 PHE H H 68 8.255 8.255 8.343 -0.088 17554 8518 1 15 . 1 1 69 69 GLY N N 69 110.709 110.709 107.426 3.283 17554 8519 1 15 . 1 1 69 69 GLY CA C 69 45.339 45.339 45.193 0.146 17554 8520 1 15 . 1 1 69 69 GLY H H 69 8.234 8.234 7.297 0.937 17554 8521 1 15 . 1 1 70 70 ALA N N 70 123.857 123.857 123.650 0.207 17554 8522 1 15 . 1 1 70 70 ALA HA H 70 4.348 4.348 4.409 -0.061 17554 8523 1 15 . 1 1 70 70 ALA CA C 70 52.626 52.626 53.061 -0.435 17554 8524 1 15 . 1 1 70 70 ALA CB C 70 19.386 19.386 19.278 0.108 17554 8525 1 15 . 1 1 70 70 ALA H H 70 8.140 8.140 8.536 -0.396 17554 8526 1 15 . 1 1 71 71 SER N N 71 115.019 115.019 113.000 2.019 17554 8527 1 15 . 1 1 71 71 SER HA H 71 4.441 4.441 4.141 0.300 17554 8528 1 15 . 1 1 71 71 SER CA C 71 58.592 58.592 60.219 -1.627 17554 8529 1 15 . 1 1 71 71 SER CB C 71 63.975 63.975 62.335 1.640 17554 8530 1 15 . 1 1 71 71 SER H H 71 8.379 8.379 8.435 -0.056 17554 8531 1 15 . 1 1 72 72 GLY N N 72 110.640 110.640 107.884 2.756 17554 8532 1 15 . 1 1 72 72 GLY CA C 72 45.546 45.546 44.702 0.844 17554 8533 1 15 . 1 1 72 72 GLY H H 72 8.395 8.395 8.230 0.165 17554 8534 1 15 . 1 1 73 73 LEU N N 73 121.191 121.191 121.086 0.105 17554 8535 1 15 . 1 1 73 73 LEU HA H 73 4.319 4.319 3.903 0.416 17554 8536 1 15 . 1 1 73 73 LEU CA C 73 55.292 55.292 54.895 0.397 17554 8537 1 15 . 1 1 73 73 LEU CB C 73 42.355 42.355 39.002 3.353 17554 8538 1 15 . 1 1 73 73 LEU H H 73 8.088 8.088 8.148 -0.060 17554 8539 1 15 . 1 1 74 74 ASP N N 74 120.099 120.099 121.654 -1.555 17554 8540 1 15 . 1 1 74 74 ASP HA H 74 4.549 4.549 4.587 -0.038 17554 8541 1 15 . 1 1 74 74 ASP CA C 74 54.451 54.451 54.609 -0.158 17554 8542 1 15 . 1 1 74 74 ASP CB C 74 41.071 41.071 40.265 0.806 17554 8543 1 15 . 1 1 74 74 ASP H H 74 8.312 8.312 8.605 -0.293 17554 8544 1 15 . 1 1 75 75 ASN N N 75 118.544 118.544 122.453 -3.909 17554 8545 1 15 . 1 1 75 75 ASN HA H 75 4.627 4.627 4.918 -0.291 17554 8546 1 15 . 1 1 75 75 ASN CA C 75 53.043 53.043 52.912 0.131 17554 8547 1 15 . 1 1 75 75 ASN CB C 75 38.723 38.723 39.358 -0.635 17554 8548 1 15 . 1 1 75 75 ASN H H 75 8.254 8.254 7.909 0.345 17554 8549 1 15 . 1 1 76 76 GLN N N 76 121.475 121.475 122.089 -0.614 17554 8550 1 15 . 1 1 76 76 GLN HA H 76 4.527 4.527 4.414 0.113 17554 8551 1 15 . 1 1 76 76 GLN CA C 76 53.613 53.613 54.221 -0.608 17554 8552 1 15 . 1 1 76 76 GLN CB C 76 28.697 28.697 29.636 -0.939 17554 8553 1 15 . 1 1 76 76 GLN H H 76 8.228 8.228 8.294 -0.066 17554 8554 1 15 . 1 1 77 77 PRO HA H 77 4.566 4.566 4.427 0.139 17554 8555 1 15 . 1 1 77 77 PRO CA C 77 61.219 61.219 62.063 -0.844 17554 8556 1 15 . 1 1 77 77 PRO CB C 77 31.453 31.453 31.222 0.231 17554 8557 1 15 . 1 1 78 78 PRO HA H 78 4.449 4.449 4.456 -0.007 17554 8558 1 15 . 1 1 78 78 PRO CA C 78 62.743 62.743 62.940 -0.197 17554 8559 1 15 . 1 1 78 78 PRO CB C 78 32.168 32.168 32.013 0.155 17554 8560 1 15 . 1 1 79 79 GLU N N 79 127.716 127.716 126.965 0.751 17554 8561 1 15 . 1 1 79 79 GLU HA H 79 3.843 3.843 3.830 0.013 17554 8562 1 15 . 1 1 79 79 GLU CA C 79 59.074 59.074 59.897 -0.823 17554 8563 1 15 . 1 1 79 79 GLU CB C 79 28.921 28.921 28.851 0.070 17554 8564 1 15 . 1 1 79 79 GLU H H 79 9.073 9.073 8.957 0.116 17554 8565 1 15 . 1 1 80 80 GLU N N 80 117.579 117.579 120.301 -2.722 17554 8566 1 15 . 1 1 80 80 GLU HA H 80 4.120 4.120 4.094 0.026 17554 8567 1 15 . 1 1 80 80 GLU CA C 80 59.468 59.468 59.192 0.276 17554 8568 1 15 . 1 1 80 80 GLU CB C 80 28.680 28.680 29.128 -0.448 17554 8569 1 15 . 1 1 80 80 GLU H H 80 9.604 9.604 8.791 0.813 17554 8570 1 15 . 1 1 81 81 ILE N N 81 117.488 117.488 119.675 -2.187 17554 8571 1 15 . 1 1 81 81 ILE HA H 81 4.068 4.068 3.870 0.198 17554 8572 1 15 . 1 1 81 81 ILE CA C 81 63.261 63.261 64.313 -1.052 17554 8573 1 15 . 1 1 81 81 ILE CB C 81 37.248 37.248 38.398 -1.150 17554 8574 1 15 . 1 1 81 81 ILE H H 81 7.172 7.172 7.582 -0.410 17554 8575 1 15 . 1 1 82 82 VAL N N 82 121.739 121.739 118.744 2.995 17554 8576 1 15 . 1 1 82 82 VAL HA H 82 3.143 3.143 3.641 -0.498 17554 8577 1 15 . 1 1 82 82 VAL CA C 82 67.507 67.507 66.588 0.919 17554 8578 1 15 . 1 1 82 82 VAL CB C 82 31.816 31.816 31.258 0.558 17554 8579 1 15 . 1 1 82 82 VAL H H 82 7.591 7.591 8.652 -1.061 17554 8580 1 15 . 1 1 83 83 ALA N N 83 118.311 118.311 123.259 -4.948 17554 8581 1 15 . 1 1 83 83 ALA HA H 83 4.341 4.341 4.016 0.325 17554 8582 1 15 . 1 1 83 83 ALA CA C 83 54.186 54.186 55.249 -1.063 17554 8583 1 15 . 1 1 83 83 ALA CB C 83 18.026 18.026 18.345 -0.319 17554 8584 1 15 . 1 1 83 83 ALA H H 83 8.260 8.260 7.914 0.346 17554 8585 1 15 . 1 1 84 84 ILE N N 84 119.780 119.780 119.651 0.129 17554 8586 1 15 . 1 1 84 84 ILE HA H 84 3.737 3.737 3.594 0.143 17554 8587 1 15 . 1 1 84 84 ILE CA C 84 65.095 65.095 65.477 -0.382 17554 8588 1 15 . 1 1 84 84 ILE CB C 84 38.070 38.070 38.004 0.066 17554 8589 1 15 . 1 1 84 84 ILE H H 84 7.298 7.298 7.675 -0.377 17554 8590 1 15 . 1 1 85 85 ILE N N 85 119.424 119.424 119.110 0.314 17554 8591 1 15 . 1 1 85 85 ILE HA H 85 3.884 3.884 3.756 0.128 17554 8592 1 15 . 1 1 85 85 ILE CA C 85 66.207 66.207 65.917 0.290 17554 8593 1 15 . 1 1 85 85 ILE CB C 85 38.043 38.043 37.964 0.079 17554 8594 1 15 . 1 1 85 85 ILE H H 85 7.426 7.426 8.631 -1.205 17554 8595 1 15 . 1 1 86 86 THR N N 86 112.538 112.538 114.355 -1.817 17554 8596 1 15 . 1 1 86 86 THR HA H 86 4.669 4.669 4.322 0.347 17554 8597 1 15 . 1 1 86 86 THR CA C 86 64.995 64.995 65.244 -0.249 17554 8598 1 15 . 1 1 86 86 THR CB C 86 68.293 68.293 68.529 -0.236 17554 8599 1 15 . 1 1 86 86 THR H H 86 9.097 9.097 8.321 0.776 17554 8600 1 15 . 1 1 87 87 SER N N 87 120.681 120.681 117.459 3.222 17554 8601 1 15 . 1 1 87 87 SER HA H 87 4.397 4.397 4.363 0.034 17554 8602 1 15 . 1 1 87 87 SER CA C 87 61.715 61.715 60.733 0.982 17554 8603 1 15 . 1 1 87 87 SER CB C 87 62.804 62.804 62.963 -0.159 17554 8604 1 15 . 1 1 87 87 SER H H 87 8.250 8.250 8.245 0.005 17554 8605 1 15 . 1 1 88 88 MET N N 88 119.753 119.753 118.167 1.586 17554 8606 1 15 . 1 1 88 88 MET HA H 88 4.399 4.399 4.374 0.025 17554 8607 1 15 . 1 1 88 88 MET CA C 88 56.596 56.596 55.516 1.080 17554 8608 1 15 . 1 1 88 88 MET CB C 88 33.330 33.330 32.709 0.621 17554 8609 1 15 . 1 1 88 88 MET H H 88 7.550 7.550 7.776 -0.226 17554 8610 1 15 . 1 1 89 89 GLY N N 89 105.282 105.282 103.750 1.532 17554 8611 1 15 . 1 1 89 89 GLY CA C 89 44.767 44.767 44.633 0.134 17554 8612 1 15 . 1 1 89 89 GLY H H 89 7.866 7.866 7.488 0.378 17554 8613 1 15 . 1 1 90 90 PHE N N 90 118.182 118.182 119.675 -1.493 17554 8614 1 15 . 1 1 90 90 PHE HA H 90 4.721 4.721 4.877 -0.156 17554 8615 1 15 . 1 1 90 90 PHE CA C 90 57.670 57.670 56.649 1.021 17554 8616 1 15 . 1 1 90 90 PHE CB C 90 39.706 39.706 40.938 -1.232 17554 8617 1 15 . 1 1 90 90 PHE H H 90 6.675 6.675 7.592 -0.917 17554 8618 1 15 . 1 1 91 91 GLN N N 91 118.581 118.581 118.516 0.065 17554 8619 1 15 . 1 1 91 91 GLN HA H 91 4.356 4.356 4.671 -0.315 17554 8620 1 15 . 1 1 91 91 GLN CA C 91 55.485 55.485 54.522 0.963 17554 8621 1 15 . 1 1 91 91 GLN CB C 91 29.969 29.969 31.624 -1.655 17554 8622 1 15 . 1 1 91 91 GLN H H 91 8.854 8.854 8.533 0.321 17554 8623 1 15 . 1 1 92 92 ARG N N 92 124.037 124.037 127.891 -3.854 17554 8624 1 15 . 1 1 92 92 ARG HA H 92 3.624 3.624 3.929 -0.305 17554 8625 1 15 . 1 1 92 92 ARG CA C 92 60.847 60.847 60.665 0.182 17554 8626 1 15 . 1 1 92 92 ARG CB C 92 29.579 29.579 29.868 -0.289 17554 8627 1 15 . 1 1 92 92 ARG H H 92 9.124 9.124 8.928 0.196 17554 8628 1 15 . 1 1 93 93 ASN N N 93 115.060 115.060 117.710 -2.650 17554 8629 1 15 . 1 1 93 93 ASN HA H 93 4.395 4.395 4.495 -0.100 17554 8630 1 15 . 1 1 93 93 ASN CA C 93 56.562 56.562 56.081 0.480 17554 8631 1 15 . 1 1 93 93 ASN CB C 93 37.059 37.059 37.553 -0.494 17554 8632 1 15 . 1 1 93 93 ASN H H 93 9.117 9.117 8.565 0.552 17554 8633 1 15 . 1 1 94 94 GLN N N 94 119.980 119.980 118.977 1.003 17554 8634 1 15 . 1 1 94 94 GLN HA H 94 3.933 3.933 4.137 -0.204 17554 8635 1 15 . 1 1 94 94 GLN CA C 94 58.775 58.775 59.347 -0.572 17554 8636 1 15 . 1 1 94 94 GLN CB C 94 29.075 29.075 28.458 0.617 17554 8637 1 15 . 1 1 94 94 GLN H H 94 7.033 7.033 8.502 -1.469 17554 8638 1 15 . 1 1 95 95 ALA N N 95 120.823 120.823 122.933 -2.110 17554 8639 1 15 . 1 1 95 95 ALA HA H 95 3.761 3.761 4.007 -0.246 17554 8640 1 15 . 1 1 95 95 ALA CA C 95 55.680 55.680 55.181 0.499 17554 8641 1 15 . 1 1 95 95 ALA CB C 95 19.601 19.601 18.487 1.114 17554 8642 1 15 . 1 1 95 95 ALA H H 95 7.996 7.996 8.476 -0.480 17554 8643 1 15 . 1 1 96 96 ILE N N 96 116.250 116.250 120.171 -3.921 17554 8644 1 15 . 1 1 96 96 ILE HA H 96 3.420 3.420 3.495 -0.075 17554 8645 1 15 . 1 1 96 96 ILE CA C 96 65.611 65.611 66.070 -0.459 17554 8646 1 15 . 1 1 96 96 ILE CB C 96 37.869 37.869 37.884 -0.015 17554 8647 1 15 . 1 1 96 96 ILE H H 96 8.408 8.408 8.250 0.158 17554 8648 1 15 . 1 1 97 97 GLN N N 97 118.601 118.601 119.188 -0.587 17554 8649 1 15 . 1 1 97 97 GLN HA H 97 3.734 3.734 3.687 0.047 17554 8650 1 15 . 1 1 97 97 GLN CA C 97 59.011 59.011 59.250 -0.239 17554 8651 1 15 . 1 1 97 97 GLN CB C 97 28.425 28.425 28.506 -0.081 17554 8652 1 15 . 1 1 97 97 GLN H H 97 7.767 7.767 8.150 -0.383 17554 8653 1 15 . 1 1 98 98 ALA N N 98 121.375 121.375 122.496 -1.121 17554 8654 1 15 . 1 1 98 98 ALA HA H 98 2.748 2.748 3.027 -0.279 17554 8655 1 15 . 1 1 98 98 ALA CA C 98 54.408 54.408 54.822 -0.414 17554 8656 1 15 . 1 1 98 98 ALA CB C 98 20.084 20.084 18.343 1.741 17554 8657 1 15 . 1 1 98 98 ALA H H 98 7.905 7.905 7.793 0.112 17554 8658 1 15 . 1 1 99 99 LEU N N 99 118.409 118.409 118.887 -0.478 17554 8659 1 15 . 1 1 99 99 LEU HA H 99 3.717 3.717 4.032 -0.315 17554 8660 1 15 . 1 1 99 99 LEU CA C 99 57.529 57.529 57.201 0.328 17554 8661 1 15 . 1 1 99 99 LEU CB C 99 40.714 40.714 41.391 -0.677 17554 8662 1 15 . 1 1 99 99 LEU H H 99 7.938 7.938 8.255 -0.317 17554 8663 1 15 . 1 1 100 100 ARG N N 100 119.771 119.771 119.143 0.628 17554 8664 1 15 . 1 1 100 100 ARG HA H 100 4.107 4.107 3.843 0.264 17554 8665 1 15 . 1 1 100 100 ARG CA C 100 59.182 59.182 59.372 -0.190 17554 8666 1 15 . 1 1 100 100 ARG CB C 100 30.021 30.021 29.850 0.171 17554 8667 1 15 . 1 1 100 100 ARG H H 100 8.248 8.248 8.262 -0.014 17554 8668 1 15 . 1 1 101 101 ALA N N 101 119.288 119.288 119.700 -0.412 17554 8669 1 15 . 1 1 101 101 ALA HA H 101 3.983 3.983 4.102 -0.119 17554 8670 1 15 . 1 1 101 101 ALA CA C 101 53.663 53.663 54.136 -0.474 17554 8671 1 15 . 1 1 101 101 ALA CB C 101 17.946 17.946 18.707 -0.761 17554 8672 1 15 . 1 1 101 101 ALA H H 101 7.324 7.324 7.239 0.085 17554 8673 1 15 . 1 1 102 102 THR N N 102 105.233 105.233 107.400 -2.167 17554 8674 1 15 . 1 1 102 102 THR HA H 102 4.429 4.429 4.168 0.261 17554 8675 1 15 . 1 1 102 102 THR CA C 102 60.535 60.535 62.776 -2.241 17554 8676 1 15 . 1 1 102 102 THR CB C 102 71.036 71.036 69.485 1.551 17554 8677 1 15 . 1 1 102 102 THR H H 102 7.113 7.113 7.983 -0.870 17554 8678 1 15 . 1 1 103 103 ASN N N 103 119.293 119.293 119.601 -0.308 17554 8679 1 15 . 1 1 103 103 ASN HA H 103 4.343 4.343 4.308 0.035 17554 8680 1 15 . 1 1 103 103 ASN CA C 103 54.462 54.462 54.360 0.102 17554 8681 1 15 . 1 1 103 103 ASN CB C 103 36.960 36.960 36.317 0.643 17554 8682 1 15 . 1 1 103 103 ASN H H 103 7.701 7.701 8.006 -0.305 17554 8683 1 15 . 1 1 104 104 ASN N N 104 108.274 108.274 109.485 -1.211 17554 8684 1 15 . 1 1 104 104 ASN HA H 104 3.956 3.956 4.161 -0.205 17554 8685 1 15 . 1 1 104 104 ASN CA C 104 54.757 54.757 54.773 -0.015 17554 8686 1 15 . 1 1 104 104 ASN CB C 104 36.151 36.151 37.291 -1.140 17554 8687 1 15 . 1 1 104 104 ASN H H 104 9.048 9.048 8.837 0.211 17554 8688 1 15 . 1 1 105 105 ASN N N 105 118.458 118.458 118.471 -0.013 17554 8689 1 15 . 1 1 105 105 ASN HA H 105 4.728 4.728 4.812 -0.084 17554 8690 1 15 . 1 1 105 105 ASN CA C 105 53.081 53.081 51.919 1.161 17554 8691 1 15 . 1 1 105 105 ASN CB C 105 40.405 40.405 38.728 1.677 17554 8692 1 15 . 1 1 105 105 ASN H H 105 7.061 7.061 7.473 -0.412 17554 8693 1 15 . 1 1 106 106 LEU N N 106 128.727 128.727 128.109 0.618 17554 8694 1 15 . 1 1 106 106 LEU HA H 106 3.732 3.732 3.993 -0.261 17554 8695 1 15 . 1 1 106 106 LEU CA C 106 59.307 59.307 58.941 0.366 17554 8696 1 15 . 1 1 106 106 LEU CB C 106 42.071 42.071 42.207 -0.136 17554 8697 1 15 . 1 1 106 106 LEU H H 106 8.718 8.718 8.510 0.208 17554 8698 1 15 . 1 1 107 107 GLU N N 107 117.325 117.325 117.927 -0.602 17554 8699 1 15 . 1 1 107 107 GLU HA H 107 3.890 3.890 3.954 -0.064 17554 8700 1 15 . 1 1 107 107 GLU CA C 107 60.871 60.871 59.851 1.020 17554 8701 1 15 . 1 1 107 107 GLU CB C 107 28.881 28.881 29.019 -0.138 17554 8702 1 15 . 1 1 107 107 GLU H H 107 8.390 8.390 8.501 -0.111 17554 8703 1 15 . 1 1 108 108 ARG N N 108 117.912 117.912 120.001 -2.089 17554 8704 1 15 . 1 1 108 108 ARG HA H 108 4.265 4.265 4.137 0.128 17554 8705 1 15 . 1 1 108 108 ARG CA C 108 58.748 58.748 58.857 -0.109 17554 8706 1 15 . 1 1 108 108 ARG CB C 108 30.650 30.650 30.227 0.423 17554 8707 1 15 . 1 1 108 108 ARG H H 108 8.410 8.410 8.384 0.026 17554 8708 1 15 . 1 1 109 109 ALA N N 109 127.124 127.124 123.328 3.796 17554 8709 1 15 . 1 1 109 109 ALA HA H 109 3.900 3.900 4.089 -0.189 17554 8710 1 15 . 1 1 109 109 ALA CA C 109 55.518 55.518 55.311 0.207 17554 8711 1 15 . 1 1 109 109 ALA CB C 109 17.772 17.772 18.357 -0.585 17554 8712 1 15 . 1 1 109 109 ALA H H 109 9.083 9.083 8.278 0.805 17554 8713 1 15 . 1 1 110 110 LEU N N 110 118.715 118.715 119.016 -0.301 17554 8714 1 15 . 1 1 110 110 LEU HA H 110 3.777 3.777 3.789 -0.012 17554 8715 1 15 . 1 1 110 110 LEU CA C 110 57.997 57.997 58.111 -0.114 17554 8716 1 15 . 1 1 110 110 LEU CB C 110 40.963 40.963 41.467 -0.504 17554 8717 1 15 . 1 1 110 110 LEU H H 110 8.215 8.215 8.172 0.043 17554 8718 1 15 . 1 1 111 111 ASP N N 111 118.516 118.516 119.603 -1.087 17554 8719 1 15 . 1 1 111 111 ASP HA H 111 4.484 4.484 4.344 0.140 17554 8720 1 15 . 1 1 111 111 ASP CA C 111 57.634 57.634 58.463 -0.829 17554 8721 1 15 . 1 1 111 111 ASP CB C 111 41.026 41.026 41.019 0.007 17554 8722 1 15 . 1 1 111 111 ASP H H 111 7.400 7.400 8.367 -0.967 17554 8723 1 15 . 1 1 112 112 TRP N N 112 122.780 122.780 120.669 2.111 17554 8724 1 15 . 1 1 112 112 TRP HA H 112 4.097 4.097 4.320 -0.223 17554 8725 1 15 . 1 1 112 112 TRP CA C 112 62.365 62.365 61.101 1.264 17554 8726 1 15 . 1 1 112 112 TRP CB C 112 29.490 29.490 29.831 -0.341 17554 8727 1 15 . 1 1 112 112 TRP H H 112 8.525 8.525 8.236 0.289 17554 8728 1 15 . 1 1 113 113 ILE N N 113 122.469 122.469 119.828 2.641 17554 8729 1 15 . 1 1 113 113 ILE HA H 113 3.575 3.575 3.636 -0.061 17554 8730 1 15 . 1 1 113 113 ILE CA C 113 66.239 66.239 65.115 1.123 17554 8731 1 15 . 1 1 113 113 ILE CB C 113 37.688 37.688 37.422 0.266 17554 8732 1 15 . 1 1 113 113 ILE H H 113 8.618 8.618 8.893 -0.275 17554 8733 1 15 . 1 1 114 114 PHE N N 114 118.665 118.665 121.162 -2.497 17554 8734 1 15 . 1 1 114 114 PHE HA H 114 4.386 4.386 4.226 0.160 17554 8735 1 15 . 1 1 114 114 PHE CA C 114 60.111 60.111 60.820 -0.709 17554 8736 1 15 . 1 1 114 114 PHE CB C 114 38.344 38.344 39.153 -0.809 17554 8737 1 15 . 1 1 114 114 PHE H H 114 8.109 8.109 8.578 -0.469 17554 8738 1 15 . 1 1 115 115 SER N N 115 111.172 111.172 112.481 -1.309 17554 8739 1 15 . 1 1 115 115 SER HA H 115 4.333 4.333 4.214 0.119 17554 8740 1 15 . 1 1 115 115 SER CA C 115 58.593 58.593 59.142 -0.549 17554 8741 1 15 . 1 1 115 115 SER CB C 115 64.067 64.067 63.461 0.606 17554 8742 1 15 . 1 1 115 115 SER H H 115 7.723 7.723 7.541 0.182 17554 8743 1 15 . 1 1 116 116 HIS N N 116 119.686 119.686 120.170 -0.484 17554 8744 1 15 . 1 1 116 116 HIS HA H 116 4.749 4.749 4.710 0.039 17554 8745 1 15 . 1 1 116 116 HIS CA C 116 54.476 54.476 52.998 1.478 17554 8746 1 15 . 1 1 116 116 HIS CB C 116 27.310 27.310 30.376 -3.066 17554 8747 1 15 . 1 1 116 116 HIS H H 116 7.407 7.407 7.451 -0.044 17554 8748 1 15 . 1 1 117 117 PRO HA H 117 4.465 4.465 4.084 0.381 17554 8749 1 15 . 1 1 117 117 PRO CA C 117 64.170 64.170 64.696 -0.526 17554 8750 1 15 . 1 1 117 117 PRO CB C 117 31.939 31.939 32.329 -0.390 17554 8751 1 15 . 1 1 118 118 GLU N N 118 119.986 119.986 112.652 7.334 17554 8752 1 15 . 1 1 118 118 GLU HA H 118 4.338 4.338 4.057 0.281 17554 8753 1 15 . 1 1 118 118 GLU CA C 118 56.440 56.440 56.469 -0.029 17554 8754 1 15 . 1 1 118 118 GLU CB C 118 29.469 29.469 29.807 -0.338 17554 8755 1 15 . 1 1 118 118 GLU H H 118 8.667 8.667 7.943 0.724 17554 8756 1 15 . 1 1 119 119 PHE N N 119 121.581 121.581 119.373 2.208 17554 8757 1 15 . 1 1 119 119 PHE HA H 119 4.632 4.632 4.664 -0.032 17554 8758 1 15 . 1 1 119 119 PHE CA C 119 57.981 57.981 58.303 -0.322 17554 8759 1 15 . 1 1 119 119 PHE CB C 119 39.805 39.805 41.467 -1.662 17554 8760 1 15 . 1 1 119 119 PHE H H 119 8.054 8.054 7.828 0.226 17554 8761 1 15 . 1 1 120 120 GLU N N 120 123.882 123.882 117.355 6.527 17554 8762 1 15 . 1 1 120 120 GLU HA H 120 4.273 4.273 4.279 -0.006 17554 8763 1 15 . 1 1 120 120 GLU CA C 120 56.127 56.127 56.185 -0.058 17554 8764 1 15 . 1 1 120 120 GLU CB C 120 30.789 30.789 29.850 0.939 17554 8765 1 15 . 1 1 120 120 GLU H H 120 8.264 8.264 7.780 0.484 17554 8766 1 15 . 1 1 121 121 GLU N N 121 122.504 122.504 119.805 2.699 17554 8767 1 15 . 1 1 121 121 GLU HA H 121 4.213 4.213 4.731 -0.518 17554 8768 1 15 . 1 1 121 121 GLU CA C 121 56.634 56.634 55.664 0.970 17554 8769 1 15 . 1 1 121 121 GLU CB C 121 30.580 30.580 31.674 -1.094 17554 8770 1 15 . 1 1 121 121 GLU H H 121 8.398 8.398 8.268 0.130 17554 8771 1 15 . 1 1 122 122 ASP N N 122 121.820 121.820 121.600 0.220 17554 8772 1 15 . 1 1 122 122 ASP HA H 122 4.627 4.627 4.717 -0.090 17554 8773 1 15 . 1 1 122 122 ASP CA C 122 54.443 54.443 54.898 -0.455 17554 8774 1 15 . 1 1 122 122 ASP CB C 122 41.237 41.237 41.271 -0.034 17554 8775 1 15 . 1 1 122 122 ASP H H 122 8.478 8.478 8.307 0.171 17554 8776 1 15 . 1 1 123 123 SER N N 123 116.397 116.397 116.009 0.388 17554 8777 1 15 . 1 1 123 123 SER HA H 123 4.392 4.392 4.430 -0.038 17554 8778 1 15 . 1 1 123 123 SER CA C 123 58.605 58.605 60.200 -1.595 17554 8779 1 15 . 1 1 123 123 SER CB C 123 64.064 64.064 63.015 1.049 17554 8780 1 15 . 1 1 123 123 SER H H 123 8.236 8.236 8.357 -0.121 17554 8781 1 15 . 1 1 124 124 ASP N N 124 122.070 122.070 120.451 1.619 17554 8782 1 15 . 1 1 124 124 ASP HA H 124 4.599 4.599 4.558 0.041 17554 8783 1 15 . 1 1 124 124 ASP CA C 124 54.501 54.501 55.060 -0.560 17554 8784 1 15 . 1 1 124 124 ASP CB C 124 41.106 41.106 40.805 0.301 17554 8785 1 15 . 1 1 124 124 ASP H H 124 8.378 8.378 8.151 0.227 17554 8786 1 15 . 1 1 125 125 PHE N N 125 120.274 120.274 119.920 0.354 17554 8787 1 15 . 1 1 125 125 PHE HA H 125 4.623 4.623 4.476 0.147 17554 8788 1 15 . 1 1 125 125 PHE CA C 125 57.913 57.913 59.043 -1.130 17554 8789 1 15 . 1 1 125 125 PHE CB C 125 39.601 39.601 39.836 -0.235 17554 8790 1 15 . 1 1 125 125 PHE H H 125 8.049 8.049 7.829 0.220 17554 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 117 2.628 0.462 2.598 17554 2 1 1 "Average Difference" HA 129 0.315 0.036 0.315 17554 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17554 4 1 1 "Average Difference" CA 124 1.020 -0.176 1.009 17554 5 1 1 "Average Difference" CB 114 1.010 -0.079 1.011 17554 6 1 1 "Average Difference" HN 117 0.550 0.011 0.552 17554 7 1 2 "Average Difference" N 117 2.663 0.458 2.635 17554 8 1 2 "Average Difference" HA 129 0.330 0.054 0.327 17554 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17554 10 1 2 "Average Difference" CA 124 1.123 -0.150 1.117 17554 11 1 2 "Average Difference" CB 114 1.003 -0.103 1.002 17554 12 1 2 "Average Difference" HN 117 0.563 0.046 0.563 17554 13 1 3 "Average Difference" N 117 2.763 0.362 2.751 17554 14 1 3 "Average Difference" HA 129 0.370 0.034 0.369 17554 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17554 16 1 3 "Average Difference" CA 124 1.147 -0.205 1.133 17554 17 1 3 "Average Difference" CB 114 1.006 -0.099 1.006 17554 18 1 3 "Average Difference" HN 117 0.548 0.038 0.549 17554 19 1 4 "Average Difference" N 117 2.605 0.160 2.611 17554 20 1 4 "Average Difference" HA 129 0.361 0.067 0.356 17554 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17554 22 1 4 "Average Difference" CA 124 1.056 -0.227 1.036 17554 23 1 4 "Average Difference" CB 114 0.985 -0.096 0.985 17554 24 1 4 "Average Difference" HN 117 0.555 0.006 0.557 17554 25 1 5 "Average Difference" N 117 2.531 0.531 2.486 17554 26 1 5 "Average Difference" HA 129 0.344 0.047 0.342 17554 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17554 28 1 5 "Average Difference" CA 124 1.044 -0.238 1.020 17554 29 1 5 "Average Difference" CB 114 1.000 -0.084 1.001 17554 30 1 5 "Average Difference" HN 117 0.548 0.035 0.549 17554 31 1 6 "Average Difference" N 117 2.662 0.480 2.630 17554 32 1 6 "Average Difference" HA 129 0.367 0.062 0.363 17554 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17554 34 1 6 "Average Difference" CA 124 1.075 -0.198 1.060 17554 35 1 6 "Average Difference" CB 114 0.972 -0.024 0.976 17554 36 1 6 "Average Difference" HN 117 0.557 0.070 0.555 17554 37 1 7 "Average Difference" N 117 2.771 0.570 2.724 17554 38 1 7 "Average Difference" HA 129 0.358 0.049 0.356 17554 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17554 40 1 7 "Average Difference" CA 124 1.055 -0.187 1.043 17554 41 1 7 "Average Difference" CB 114 0.938 -0.131 0.933 17554 42 1 7 "Average Difference" HN 117 0.555 0.033 0.557 17554 43 1 8 "Average Difference" N 117 2.701 0.530 2.660 17554 44 1 8 "Average Difference" HA 129 0.335 0.012 0.336 17554 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17554 46 1 8 "Average Difference" CA 124 1.055 -0.203 1.040 17554 47 1 8 "Average Difference" CB 114 1.013 -0.174 1.002 17554 48 1 8 "Average Difference" HN 117 0.563 0.045 0.564 17554 49 1 9 "Average Difference" N 117 2.750 0.592 2.697 17554 50 1 9 "Average Difference" HA 129 0.341 0.042 0.340 17554 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17554 52 1 9 "Average Difference" CA 124 1.067 -0.188 1.054 17554 53 1 9 "Average Difference" CB 114 1.019 -0.119 1.017 17554 54 1 9 "Average Difference" HN 117 0.574 0.036 0.575 17554 55 1 10 "Average Difference" N 117 2.529 0.398 2.509 17554 56 1 10 "Average Difference" HA 129 0.309 0.047 0.307 17554 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17554 58 1 10 "Average Difference" CA 124 1.024 -0.249 0.997 17554 59 1 10 "Average Difference" CB 114 1.021 -0.059 1.024 17554 60 1 10 "Average Difference" HN 117 0.579 0.017 0.582 17554 61 1 11 "Average Difference" N 117 2.861 0.493 2.831 17554 62 1 11 "Average Difference" HA 129 0.307 0.071 0.300 17554 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 17554 64 1 11 "Average Difference" CA 124 1.128 -0.184 1.118 17554 65 1 11 "Average Difference" CB 114 0.953 -0.047 0.956 17554 66 1 11 "Average Difference" HN 117 0.561 0.052 0.561 17554 67 1 12 "Average Difference" N 117 2.704 0.326 2.695 17554 68 1 12 "Average Difference" HA 129 0.348 0.046 0.347 17554 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 17554 70 1 12 "Average Difference" CA 124 1.058 -0.247 1.033 17554 71 1 12 "Average Difference" CB 114 0.969 -0.102 0.968 17554 72 1 12 "Average Difference" HN 117 0.545 0.056 0.544 17554 73 1 13 "Average Difference" N 117 2.555 0.154 2.562 17554 74 1 13 "Average Difference" HA 129 0.338 0.052 0.335 17554 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 17554 76 1 13 "Average Difference" CA 124 1.035 -0.169 1.025 17554 77 1 13 "Average Difference" CB 114 0.915 -0.077 0.916 17554 78 1 13 "Average Difference" HN 117 0.585 0.023 0.587 17554 79 1 14 "Average Difference" N 117 2.539 0.231 2.539 17554 80 1 14 "Average Difference" HA 129 0.297 0.038 0.295 17554 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 17554 82 1 14 "Average Difference" CA 124 1.038 -0.275 1.005 17554 83 1 14 "Average Difference" CB 114 0.976 -0.030 0.980 17554 84 1 14 "Average Difference" HN 117 0.540 0.041 0.541 17554 85 1 15 "Average Difference" N 117 2.606 0.274 2.603 17554 86 1 15 "Average Difference" HA 129 0.322 0.037 0.321 17554 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 17554 88 1 15 "Average Difference" CA 124 1.068 -0.133 1.064 17554 89 1 15 "Average Difference" CB 114 0.953 -0.131 0.948 17554 90 1 15 "Average Difference" HN 117 0.562 0.041 0.563 17554 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 17554 _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 ILE N N 2 117.266 117.266 121.939 -4.673 17554 2 1 . 1 1 2 2 ILE HA H 2 3.919 3.919 4.206 -0.287 17554 3 1 . 1 1 2 2 ILE CA C 2 60.653 60.653 61.201 -0.548 17554 4 1 . 1 1 2 2 ILE CB C 2 41.029 41.029 38.715 2.314 17554 5 1 . 1 1 2 2 ILE H H 2 7.746 7.746 8.120 -0.374 17554 6 1 . 1 1 3 3 ASP N N 3 125.895 125.895 128.076 -2.181 17554 7 1 . 1 1 3 3 ASP HA H 3 4.606 4.606 4.547 0.059 17554 8 1 . 1 1 3 3 ASP CA C 3 54.349 54.349 54.799 -0.450 17554 9 1 . 1 1 3 3 ASP CB C 3 41.214 41.214 40.197 1.017 17554 10 1 . 1 1 3 3 ASP H H 3 8.328 8.328 8.805 -0.477 17554 11 1 . 1 1 4 4 GLU N N 4 128.620 128.620 123.971 4.649 17554 12 1 . 1 1 4 4 GLU HA H 4 3.948 3.948 4.073 -0.125 17554 13 1 . 1 1 4 4 GLU CA C 4 58.981 58.981 58.605 0.376 17554 14 1 . 1 1 4 4 GLU CB C 4 29.631 29.631 29.567 0.064 17554 15 1 . 1 1 4 4 GLU H H 4 8.991 8.991 8.217 0.774 17554 16 1 . 1 1 5 5 SER N N 5 115.342 115.342 115.893 -0.551 17554 17 1 . 1 1 5 5 SER HA H 5 4.254 4.254 4.178 0.076 17554 18 1 . 1 1 5 5 SER CA C 5 61.961 61.961 61.708 0.253 17554 19 1 . 1 1 5 5 SER CB C 5 62.222 62.222 62.624 -0.402 17554 20 1 . 1 1 5 5 SER H H 5 8.634 8.634 8.467 0.167 17554 21 1 . 1 1 6 6 SER N N 6 119.418 119.418 117.999 1.419 17554 22 1 . 1 1 6 6 SER HA H 6 4.354 4.354 4.272 0.082 17554 23 1 . 1 1 6 6 SER CA C 6 61.729 61.729 61.924 -0.195 17554 24 1 . 1 1 6 6 SER CB C 6 63.366 63.366 63.003 0.363 17554 25 1 . 1 1 6 6 SER H H 6 7.670 7.670 7.922 -0.252 17554 26 1 . 1 1 7 7 VAL N N 7 120.774 120.774 122.758 -1.984 17554 27 1 . 1 1 7 7 VAL HA H 7 3.234 3.234 3.865 -0.631 17554 28 1 . 1 1 7 7 VAL CA C 7 67.151 67.151 65.151 2.000 17554 29 1 . 1 1 7 7 VAL CB C 7 31.792 31.792 31.830 -0.038 17554 30 1 . 1 1 7 7 VAL H H 7 7.286 7.286 7.628 -0.342 17554 31 1 . 1 1 8 8 MET N N 8 116.159 116.159 118.386 -2.227 17554 32 1 . 1 1 8 8 MET HA H 8 4.356 4.356 4.024 0.332 17554 33 1 . 1 1 8 8 MET CA C 8 57.482 57.482 59.268 -1.786 17554 34 1 . 1 1 8 8 MET CB C 8 31.341 31.341 31.974 -0.633 17554 35 1 . 1 1 8 8 MET H H 8 8.244 8.244 8.311 -0.067 17554 36 1 . 1 1 9 9 GLN N N 9 119.708 119.708 119.399 0.309 17554 37 1 . 1 1 9 9 GLN HA H 9 4.101 4.101 4.114 -0.013 17554 38 1 . 1 1 9 9 GLN CA C 9 59.331 59.331 58.728 0.603 17554 39 1 . 1 1 9 9 GLN CB C 9 28.880 28.880 28.530 0.350 17554 40 1 . 1 1 9 9 GLN H H 9 7.855 7.855 7.899 -0.044 17554 41 1 . 1 1 10 10 LEU N N 10 118.986 118.986 119.251 -0.265 17554 42 1 . 1 1 10 10 LEU HA H 10 4.463 4.463 4.148 0.315 17554 43 1 . 1 1 10 10 LEU CA C 10 57.438 57.438 57.384 0.054 17554 44 1 . 1 1 10 10 LEU CB C 10 42.943 42.943 41.595 1.348 17554 45 1 . 1 1 10 10 LEU H H 10 7.432 7.432 7.727 -0.295 17554 46 1 . 1 1 11 11 ALA N N 11 125.146 125.146 121.830 3.316 17554 47 1 . 1 1 11 11 ALA HA H 11 4.411 4.411 4.454 -0.043 17554 48 1 . 1 1 11 11 ALA CA C 11 55.259 55.259 54.533 0.726 17554 49 1 . 1 1 11 11 ALA CB C 11 17.734 17.734 18.619 -0.885 17554 50 1 . 1 1 11 11 ALA H H 11 8.797 8.797 8.405 0.392 17554 51 1 . 1 1 12 12 GLU N N 12 119.871 119.871 117.337 2.534 17554 52 1 . 1 1 12 12 GLU HA H 12 4.117 4.117 4.136 -0.019 17554 53 1 . 1 1 12 12 GLU CA C 12 58.473 58.473 58.419 0.054 17554 54 1 . 1 1 12 12 GLU CB C 12 29.531 29.531 29.674 -0.143 17554 55 1 . 1 1 12 12 GLU H H 12 8.178 8.178 8.330 -0.152 17554 56 1 . 1 1 13 13 MET N N 13 116.292 116.292 113.809 2.483 17554 57 1 . 1 1 13 13 MET HA H 13 4.296 4.296 4.621 -0.325 17554 58 1 . 1 1 13 13 MET CA C 13 56.797 56.797 55.601 1.195 17554 59 1 . 1 1 13 13 MET CB C 13 33.221 33.221 33.490 -0.269 17554 60 1 . 1 1 13 13 MET H H 13 7.619 7.619 7.519 0.100 17554 61 1 . 1 1 14 14 GLY N N 14 104.580 104.580 107.920 -3.340 17554 62 1 . 1 1 14 14 GLY CA C 14 44.860 44.860 45.237 -0.377 17554 63 1 . 1 1 14 14 GLY H H 14 7.873 7.873 7.720 0.153 17554 64 1 . 1 1 15 15 PHE N N 15 118.802 118.802 118.063 0.739 17554 65 1 . 1 1 15 15 PHE HA H 15 5.017 5.017 4.945 0.072 17554 66 1 . 1 1 15 15 PHE CA C 15 56.352 56.352 55.331 1.021 17554 67 1 . 1 1 15 15 PHE CB C 15 39.395 39.395 40.722 -1.327 17554 68 1 . 1 1 15 15 PHE H H 15 6.623 6.623 7.737 -1.114 17554 69 1 . 1 1 16 16 PRO HA H 16 4.530 4.530 4.503 0.027 17554 70 1 . 1 1 16 16 PRO CA C 16 63.064 63.064 63.144 -0.080 17554 71 1 . 1 1 16 16 PRO CB C 16 32.293 32.293 30.592 1.701 17554 72 1 . 1 1 17 17 LEU N N 17 128.389 128.389 126.266 2.123 17554 73 1 . 1 1 17 17 LEU HA H 17 3.945 3.945 4.421 -0.476 17554 74 1 . 1 1 17 17 LEU CA C 17 59.601 59.601 53.786 5.815 17554 75 1 . 1 1 17 17 LEU CB C 17 42.248 42.248 39.686 2.562 17554 76 1 . 1 1 17 17 LEU H H 17 9.041 9.041 8.194 0.847 17554 77 1 . 1 1 18 18 GLU N N 18 114.837 114.837 124.317 -9.480 17554 78 1 . 1 1 18 18 GLU HA H 18 4.067 4.067 3.916 0.150 17554 79 1 . 1 1 18 18 GLU CA C 18 59.139 59.139 59.606 -0.467 17554 80 1 . 1 1 18 18 GLU CB C 18 28.874 28.874 29.583 -0.709 17554 81 1 . 1 1 18 18 GLU H H 18 9.267 9.267 8.322 0.945 17554 82 1 . 1 1 19 19 ALA N N 19 119.137 119.137 121.574 -2.437 17554 83 1 . 1 1 19 19 ALA HA H 19 3.918 3.918 4.098 -0.180 17554 84 1 . 1 1 19 19 ALA CA C 19 54.872 54.872 55.127 -0.255 17554 85 1 . 1 1 19 19 ALA CB C 19 17.972 17.972 18.116 -0.144 17554 86 1 . 1 1 19 19 ALA H H 19 6.838 6.838 8.382 -1.544 17554 87 1 . 1 1 20 20 CYS N N 20 116.877 116.877 117.527 -0.650 17554 88 1 . 1 1 20 20 CYS HA H 20 3.891 3.891 4.238 -0.347 17554 89 1 . 1 1 20 20 CYS CA C 20 63.356 63.356 61.998 1.358 17554 90 1 . 1 1 20 20 CYS CB C 20 28.018 28.018 27.280 0.738 17554 91 1 . 1 1 20 20 CYS H H 20 7.610 7.610 8.320 -0.710 17554 92 1 . 1 1 21 21 ARG N N 21 117.434 117.434 120.863 -3.429 17554 93 1 . 1 1 21 21 ARG HA H 21 3.696 3.696 3.930 -0.234 17554 94 1 . 1 1 21 21 ARG CA C 21 60.192 60.192 59.701 0.491 17554 95 1 . 1 1 21 21 ARG CB C 21 30.175 30.175 30.026 0.149 17554 96 1 . 1 1 21 21 ARG H H 21 7.965 7.965 7.746 0.219 17554 97 1 . 1 1 22 22 LYS N N 22 117.667 117.667 118.127 -0.460 17554 98 1 . 1 1 22 22 LYS HA H 22 3.412 3.412 4.125 -0.713 17554 99 1 . 1 1 22 22 LYS CA C 22 60.181 60.181 59.020 1.161 17554 100 1 . 1 1 22 22 LYS CB C 22 32.085 32.085 32.127 -0.042 17554 101 1 . 1 1 22 22 LYS H H 22 7.392 7.392 8.263 -0.871 17554 102 1 . 1 1 23 23 ALA N N 23 120.670 120.670 123.423 -2.753 17554 103 1 . 1 1 23 23 ALA HA H 23 3.015 3.015 3.944 -0.929 17554 104 1 . 1 1 23 23 ALA CA C 23 54.845 54.845 54.832 0.013 17554 105 1 . 1 1 23 23 ALA CB C 23 19.900 19.900 18.048 1.852 17554 106 1 . 1 1 23 23 ALA H H 23 8.043 8.043 7.833 0.210 17554 107 1 . 1 1 24 24 VAL N N 24 117.629 117.629 119.882 -2.253 17554 108 1 . 1 1 24 24 VAL HA H 24 3.510 3.510 3.614 -0.104 17554 109 1 . 1 1 24 24 VAL CA C 24 65.665 65.665 66.756 -1.091 17554 110 1 . 1 1 24 24 VAL CB C 24 32.009 32.009 31.710 0.299 17554 111 1 . 1 1 24 24 VAL H H 24 7.381 7.381 8.750 -1.369 17554 112 1 . 1 1 25 25 TYR N N 25 120.392 120.392 121.182 -0.790 17554 113 1 . 1 1 25 25 TYR HA H 25 3.860 3.860 4.101 -0.241 17554 114 1 . 1 1 25 25 TYR CA C 25 62.098 62.098 61.135 0.963 17554 115 1 . 1 1 25 25 TYR CB C 25 38.735 38.735 38.551 0.184 17554 116 1 . 1 1 25 25 TYR H H 25 8.029 8.029 7.689 0.340 17554 117 1 . 1 1 26 26 PHE N N 26 116.460 116.460 118.386 -1.926 17554 118 1 . 1 1 26 26 PHE HA H 26 4.181 4.181 4.002 0.179 17554 119 1 . 1 1 26 26 PHE CA C 26 60.345 60.345 60.424 -0.079 17554 120 1 . 1 1 26 26 PHE CB C 26 37.917 37.917 39.127 -1.210 17554 121 1 . 1 1 26 26 PHE H H 26 9.102 9.102 8.097 1.005 17554 122 1 . 1 1 27 27 THR N N 27 106.212 106.212 109.650 -3.438 17554 123 1 . 1 1 27 27 THR HA H 27 4.477 4.477 3.871 0.606 17554 124 1 . 1 1 27 27 THR CA C 27 61.195 61.195 63.010 -1.815 17554 125 1 . 1 1 27 27 THR CB C 27 69.061 69.061 69.092 -0.031 17554 126 1 . 1 1 27 27 THR H H 27 7.050 7.050 8.083 -1.033 17554 127 1 . 1 1 28 28 GLY N N 28 107.275 107.275 109.811 -2.536 17554 128 1 . 1 1 28 28 GLY CA C 28 46.575 46.575 44.795 1.780 17554 129 1 . 1 1 28 28 GLY H H 28 7.278 7.278 7.342 -0.064 17554 130 1 . 1 1 29 29 ASN N N 29 118.189 118.189 115.578 2.611 17554 131 1 . 1 1 29 29 ASN HA H 29 4.342 4.342 4.302 0.040 17554 132 1 . 1 1 29 29 ASN CA C 29 53.614 53.614 54.029 -0.416 17554 133 1 . 1 1 29 29 ASN CB C 29 37.302 37.302 37.132 0.170 17554 134 1 . 1 1 29 29 ASN H H 29 8.704 8.704 8.541 0.163 17554 135 1 . 1 1 30 30 MET N N 30 119.241 119.241 117.877 1.364 17554 136 1 . 1 1 30 30 MET HA H 30 4.791 4.791 4.471 0.320 17554 137 1 . 1 1 30 30 MET CA C 30 53.943 53.943 54.827 -0.884 17554 138 1 . 1 1 30 30 MET CB C 30 33.263 33.263 32.605 0.658 17554 139 1 . 1 1 30 30 MET H H 30 8.921 8.921 7.834 1.087 17554 140 1 . 1 1 31 31 GLY N N 31 109.623 109.623 105.193 4.430 17554 141 1 . 1 1 31 31 GLY CA C 31 44.151 44.151 44.455 -0.304 17554 142 1 . 1 1 31 31 GLY H H 31 8.349 8.349 7.528 0.821 17554 143 1 . 1 1 32 32 ALA N N 32 121.096 121.096 123.236 -2.140 17554 144 1 . 1 1 32 32 ALA HA H 32 3.980 3.980 4.118 -0.138 17554 145 1 . 1 1 32 32 ALA CA C 32 55.192 55.192 54.587 0.605 17554 146 1 . 1 1 32 32 ALA CB C 32 19.058 19.058 19.050 0.008 17554 147 1 . 1 1 32 32 ALA H H 32 8.899 8.899 8.617 0.282 17554 148 1 . 1 1 33 33 GLU N N 33 119.428 119.428 118.596 0.832 17554 149 1 . 1 1 33 33 GLU HA H 33 4.095 4.095 4.124 -0.029 17554 150 1 . 1 1 33 33 GLU CA C 33 60.864 60.864 59.323 1.541 17554 151 1 . 1 1 33 33 GLU CB C 33 28.661 28.661 28.845 -0.184 17554 152 1 . 1 1 33 33 GLU H H 33 8.705 8.705 8.733 -0.028 17554 153 1 . 1 1 34 34 VAL N N 34 117.216 117.216 119.549 -2.333 17554 154 1 . 1 1 34 34 VAL HA H 34 4.062 4.062 3.901 0.161 17554 155 1 . 1 1 34 34 VAL CA C 34 65.178 65.178 66.098 -0.920 17554 156 1 . 1 1 34 34 VAL CB C 34 31.684 31.684 31.419 0.265 17554 157 1 . 1 1 34 34 VAL H H 34 8.178 8.178 7.818 0.360 17554 158 1 . 1 1 35 35 ALA N N 35 123.635 123.635 122.534 1.101 17554 159 1 . 1 1 35 35 ALA HA H 35 4.289 4.289 4.277 0.012 17554 160 1 . 1 1 35 35 ALA CA C 35 54.787 54.787 54.867 -0.080 17554 161 1 . 1 1 35 35 ALA CB C 35 19.794 19.794 18.330 1.464 17554 162 1 . 1 1 35 35 ALA H H 35 7.178 7.178 7.727 -0.549 17554 163 1 . 1 1 36 36 PHE N N 36 120.976 120.976 120.336 0.640 17554 164 1 . 1 1 36 36 PHE HA H 36 4.079 4.079 4.127 -0.048 17554 165 1 . 1 1 36 36 PHE CA C 36 61.339 61.339 61.769 -0.430 17554 166 1 . 1 1 36 36 PHE CB C 36 38.952 38.952 39.261 -0.309 17554 167 1 . 1 1 36 36 PHE H H 36 8.832 8.832 8.856 -0.024 17554 168 1 . 1 1 37 37 ASN N N 37 114.823 114.823 117.743 -2.920 17554 169 1 . 1 1 37 37 ASN HA H 37 4.318 4.318 4.278 0.040 17554 170 1 . 1 1 37 37 ASN CA C 37 56.379 56.379 56.478 -0.099 17554 171 1 . 1 1 37 37 ASN CB C 37 38.288 38.288 38.445 -0.157 17554 172 1 . 1 1 37 37 ASN H H 37 7.591 7.591 8.311 -0.720 17554 173 1 . 1 1 38 38 TRP N N 38 119.984 119.984 121.687 -1.703 17554 174 1 . 1 1 38 38 TRP HA H 38 4.191 4.191 4.434 -0.243 17554 175 1 . 1 1 38 38 TRP CA C 38 62.279 62.279 60.881 1.398 17554 176 1 . 1 1 38 38 TRP CB C 38 30.545 30.545 29.719 0.826 17554 177 1 . 1 1 38 38 TRP H H 38 7.630 7.630 8.125 -0.495 17554 178 1 . 1 1 39 39 ILE N N 39 121.183 121.183 120.559 0.624 17554 179 1 . 1 1 39 39 ILE HA H 39 3.647 3.647 3.893 -0.246 17554 180 1 . 1 1 39 39 ILE CA C 39 65.651 65.651 63.167 2.484 17554 181 1 . 1 1 39 39 ILE CB C 39 36.375 36.375 38.170 -1.795 17554 182 1 . 1 1 39 39 ILE H H 39 8.017 8.017 8.138 -0.121 17554 183 1 . 1 1 40 40 ILE N N 40 115.084 115.084 117.132 -2.048 17554 184 1 . 1 1 40 40 ILE HA H 40 3.665 3.665 3.739 -0.074 17554 185 1 . 1 1 40 40 ILE CA C 40 63.224 63.224 64.068 -0.844 17554 186 1 . 1 1 40 40 ILE CB C 40 36.681 36.681 37.175 -0.495 17554 187 1 . 1 1 40 40 ILE H H 40 7.474 7.474 7.592 -0.118 17554 188 1 . 1 1 41 41 VAL N N 41 116.045 116.045 118.568 -2.523 17554 189 1 . 1 1 41 41 VAL HA H 41 3.661 3.661 3.635 0.026 17554 190 1 . 1 1 41 41 VAL CA C 41 64.452 64.452 65.037 -0.585 17554 191 1 . 1 1 41 41 VAL CB C 41 32.156 32.156 31.643 0.513 17554 192 1 . 1 1 41 41 VAL H H 41 7.054 7.054 7.507 -0.453 17554 193 1 . 1 1 42 42 HIS N N 42 115.595 115.595 117.151 -1.556 17554 194 1 . 1 1 42 42 HIS HA H 42 4.098 4.098 4.494 -0.396 17554 195 1 . 1 1 42 42 HIS CA C 42 57.365 57.365 56.517 0.848 17554 196 1 . 1 1 42 42 HIS CB C 42 28.251 28.251 29.330 -1.079 17554 197 1 . 1 1 42 42 HIS H H 42 7.353 7.353 7.644 -0.291 17554 198 1 . 1 1 43 43 MET N N 43 117.495 117.495 118.030 -0.535 17554 199 1 . 1 1 43 43 MET HA H 43 2.064 2.064 4.038 -1.974 17554 200 1 . 1 1 43 43 MET CA C 43 57.980 57.980 57.821 0.159 17554 201 1 . 1 1 43 43 MET CB C 43 32.258 32.258 31.777 0.480 17554 202 1 . 1 1 43 43 MET H H 43 7.373 7.373 7.511 -0.138 17554 203 1 . 1 1 44 44 GLU N N 44 116.844 116.844 116.962 -0.118 17554 204 1 . 1 1 44 44 GLU HA H 44 4.346 4.346 4.072 0.274 17554 205 1 . 1 1 44 44 GLU CA C 44 55.838 55.838 56.692 -0.854 17554 206 1 . 1 1 44 44 GLU CB C 44 29.351 29.351 29.109 0.242 17554 207 1 . 1 1 44 44 GLU H H 44 8.102 8.102 7.953 0.149 17554 208 1 . 1 1 45 45 GLU N N 45 121.925 121.925 120.889 1.036 17554 209 1 . 1 1 45 45 GLU HA H 45 4.426 4.426 4.519 -0.093 17554 210 1 . 1 1 45 45 GLU CA C 45 55.141 55.141 53.588 1.553 17554 211 1 . 1 1 45 45 GLU CB C 45 28.513 28.513 29.333 -0.820 17554 212 1 . 1 1 45 45 GLU H H 45 7.853 7.853 7.412 0.441 17554 213 1 . 1 1 46 46 PRO HA H 46 4.440 4.440 4.277 0.163 17554 214 1 . 1 1 46 46 PRO CA C 46 65.070 65.070 65.369 -0.299 17554 215 1 . 1 1 46 46 PRO CB C 46 31.850 31.850 32.082 -0.232 17554 216 1 . 1 1 47 47 ASP N N 47 115.051 115.051 116.331 -1.280 17554 217 1 . 1 1 47 47 ASP HA H 47 4.686 4.686 4.672 0.014 17554 218 1 . 1 1 47 47 ASP CA C 47 52.841 52.841 53.035 -0.194 17554 219 1 . 1 1 47 47 ASP CB C 47 39.711 39.711 40.436 -0.725 17554 220 1 . 1 1 47 47 ASP H H 47 8.437 8.437 8.474 -0.037 17554 221 1 . 1 1 48 48 PHE N N 48 122.693 122.693 118.489 4.204 17554 222 1 . 1 1 48 48 PHE HA H 48 4.522 4.522 4.336 0.186 17554 223 1 . 1 1 48 48 PHE CA C 48 60.887 60.887 58.603 2.284 17554 224 1 . 1 1 48 48 PHE CB C 48 40.495 40.495 39.064 1.431 17554 225 1 . 1 1 48 48 PHE H H 48 7.695 7.695 7.792 -0.097 17554 226 1 . 1 1 49 49 ALA N N 49 117.185 117.185 120.611 -3.426 17554 227 1 . 1 1 49 49 ALA HA H 49 4.099 4.099 4.383 -0.284 17554 228 1 . 1 1 49 49 ALA CA C 49 51.211 51.211 51.101 0.110 17554 229 1 . 1 1 49 49 ALA CB C 49 19.067 19.067 19.812 -0.745 17554 230 1 . 1 1 49 49 ALA H H 49 8.643 8.643 7.189 1.454 17554 231 1 . 1 1 50 50 GLU N N 50 119.707 119.707 121.836 -2.129 17554 232 1 . 1 1 50 50 GLU HA H 50 4.412 4.412 4.405 0.007 17554 233 1 . 1 1 50 50 GLU CA C 50 54.755 54.755 54.370 0.385 17554 234 1 . 1 1 50 50 GLU CB C 50 29.274 29.274 29.950 -0.676 17554 235 1 . 1 1 50 50 GLU H H 50 7.412 7.412 8.358 -0.946 17554 236 1 . 1 1 51 51 PRO HA H 51 4.315 4.315 4.443 -0.128 17554 237 1 . 1 1 51 51 PRO CA C 51 62.863 62.863 62.866 -0.003 17554 238 1 . 1 1 51 51 PRO CB C 51 32.408 32.408 30.828 1.580 17554 239 1 . 1 1 52 52 LEU N N 52 123.507 123.507 123.366 0.141 17554 240 1 . 1 1 52 52 LEU HA H 52 4.210 4.210 4.495 -0.285 17554 241 1 . 1 1 52 52 LEU CA C 52 55.217 55.217 54.951 0.266 17554 242 1 . 1 1 52 52 LEU CB C 52 42.918 42.918 42.054 0.864 17554 243 1 . 1 1 52 52 LEU H H 52 8.475 8.475 8.006 0.469 17554 244 1 . 1 1 53 53 THR N N 53 119.005 119.005 117.609 1.396 17554 245 1 . 1 1 53 53 THR HA H 53 4.292 4.292 4.258 0.034 17554 246 1 . 1 1 53 53 THR CA C 53 61.478 61.478 62.494 -1.016 17554 247 1 . 1 1 53 53 THR CB C 53 69.752 69.752 69.106 0.646 17554 248 1 . 1 1 53 53 THR H H 53 8.371 8.371 8.137 0.234 17554 249 1 . 1 1 54 54 MET N N 54 124.439 124.439 123.494 0.945 17554 250 1 . 1 1 54 54 MET HA H 54 4.651 4.651 4.742 -0.091 17554 251 1 . 1 1 54 54 MET CA C 54 53.235 53.235 53.472 -0.237 17554 252 1 . 1 1 54 54 MET CB C 54 32.605 32.605 32.337 0.268 17554 253 1 . 1 1 54 54 MET H H 54 8.264 8.264 8.243 0.021 17554 254 1 . 1 1 55 55 PRO HA H 55 4.368 4.368 4.553 -0.185 17554 255 1 . 1 1 55 55 PRO CA C 55 63.668 63.668 62.651 1.017 17554 256 1 . 1 1 55 55 PRO CB C 55 32.038 32.038 32.496 -0.458 17554 257 1 . 1 1 56 56 GLY N N 56 109.663 109.663 108.010 1.653 17554 258 1 . 1 1 56 56 GLY CA C 56 45.314 45.314 44.814 0.499 17554 259 1 . 1 1 56 56 GLY H H 56 8.461 8.461 8.046 0.415 17554 260 1 . 1 1 57 57 TYR N N 57 120.317 120.317 121.732 -1.415 17554 261 1 . 1 1 57 57 TYR HA H 57 4.528 4.528 4.555 -0.027 17554 262 1 . 1 1 57 57 TYR CA C 57 58.132 58.132 57.377 0.755 17554 263 1 . 1 1 57 57 TYR CB C 57 38.958 38.958 38.574 0.384 17554 264 1 . 1 1 57 57 TYR H H 57 8.033 8.033 8.100 -0.067 17554 265 1 . 1 1 58 58 GLY N N 58 111.694 111.694 111.637 0.057 17554 266 1 . 1 1 58 58 GLY CA C 58 45.489 45.489 44.811 0.678 17554 267 1 . 1 1 58 58 GLY H H 58 8.423 8.423 8.061 0.362 17554 268 1 . 1 1 59 59 GLY N N 59 108.403 108.403 108.691 -0.288 17554 269 1 . 1 1 59 59 GLY CA C 59 45.210 45.210 44.891 0.319 17554 270 1 . 1 1 59 59 GLY H H 59 7.871 7.871 8.098 -0.227 17554 271 1 . 1 1 60 60 ALA N N 60 123.835 123.835 123.111 0.724 17554 272 1 . 1 1 60 60 ALA HA H 60 4.294 4.294 4.322 -0.028 17554 273 1 . 1 1 60 60 ALA CA C 60 52.710 52.710 52.578 0.132 17554 274 1 . 1 1 60 60 ALA CB C 60 19.353 19.353 19.345 0.008 17554 275 1 . 1 1 60 60 ALA H H 60 8.207 8.207 8.037 0.170 17554 276 1 . 1 1 61 61 ALA N N 61 123.032 123.032 122.679 0.353 17554 277 1 . 1 1 61 61 ALA HA H 61 4.316 4.316 4.428 -0.112 17554 278 1 . 1 1 61 61 ALA CA C 61 52.751 52.751 51.933 0.818 17554 279 1 . 1 1 61 61 ALA CB C 61 19.096 19.096 19.278 -0.182 17554 280 1 . 1 1 61 61 ALA H H 61 8.331 8.331 8.090 0.241 17554 281 1 . 1 1 62 62 SER N N 62 114.625 114.625 116.085 -1.460 17554 282 1 . 1 1 62 62 SER HA H 62 4.406 4.406 4.434 -0.028 17554 283 1 . 1 1 62 62 SER CA C 62 58.283 58.283 58.171 0.112 17554 284 1 . 1 1 62 62 SER CB C 62 63.858 63.858 63.155 0.703 17554 285 1 . 1 1 62 62 SER H H 62 8.158 8.158 8.240 -0.082 17554 286 1 . 1 1 63 63 ALA N N 63 125.890 125.890 126.423 -0.533 17554 287 1 . 1 1 63 63 ALA HA H 63 4.314 4.314 4.558 -0.244 17554 288 1 . 1 1 63 63 ALA CA C 63 52.926 52.926 52.061 0.865 17554 289 1 . 1 1 63 63 ALA CB C 63 19.216 19.216 19.229 -0.013 17554 290 1 . 1 1 63 63 ALA H H 63 8.294 8.294 8.317 -0.023 17554 291 1 . 1 1 64 64 GLY N N 64 107.980 107.980 108.709 -0.729 17554 292 1 . 1 1 64 64 GLY CA C 64 45.324 45.324 45.381 -0.057 17554 293 1 . 1 1 64 64 GLY H H 64 8.321 8.321 8.356 -0.035 17554 294 1 . 1 1 65 65 ALA N N 65 123.524 123.524 123.846 -0.322 17554 295 1 . 1 1 65 65 ALA HA H 65 4.330 4.330 4.498 -0.168 17554 296 1 . 1 1 65 65 ALA CA C 65 52.589 52.589 51.961 0.628 17554 297 1 . 1 1 65 65 ALA CB C 65 19.438 19.438 19.472 -0.034 17554 298 1 . 1 1 65 65 ALA H H 65 8.088 8.088 8.128 -0.040 17554 299 1 . 1 1 66 66 SER N N 66 115.072 115.072 116.346 -1.274 17554 300 1 . 1 1 66 66 SER HA H 66 4.442 4.442 4.466 -0.024 17554 301 1 . 1 1 66 66 SER CA C 66 58.334 58.334 58.139 0.195 17554 302 1 . 1 1 66 66 SER CB C 66 63.804 63.804 63.490 0.314 17554 303 1 . 1 1 66 66 SER H H 66 8.297 8.297 8.307 -0.010 17554 304 1 . 1 1 67 67 VAL N N 67 121.228 121.228 122.209 -0.981 17554 305 1 . 1 1 67 67 VAL HA H 67 4.075 4.075 4.164 -0.089 17554 306 1 . 1 1 67 67 VAL CA C 67 62.417 62.417 62.404 0.013 17554 307 1 . 1 1 67 67 VAL CB C 67 32.611 32.611 31.980 0.631 17554 308 1 . 1 1 67 67 VAL H H 67 8.007 8.007 8.041 -0.034 17554 309 1 . 1 1 68 68 PHE N N 68 123.068 123.068 122.967 0.101 17554 310 1 . 1 1 68 68 PHE HA H 68 4.618 4.618 4.671 -0.053 17554 311 1 . 1 1 68 68 PHE CA C 68 57.981 57.981 57.531 0.450 17554 312 1 . 1 1 68 68 PHE CB C 68 39.618 39.618 39.309 0.309 17554 313 1 . 1 1 68 68 PHE H H 68 8.255 8.255 8.112 0.143 17554 314 1 . 1 1 69 69 GLY N N 69 110.709 110.709 110.361 0.348 17554 315 1 . 1 1 69 69 GLY CA C 69 45.339 45.339 44.842 0.497 17554 316 1 . 1 1 69 69 GLY H H 69 8.234 8.234 8.165 0.069 17554 317 1 . 1 1 70 70 ALA N N 70 123.857 123.857 124.805 -0.948 17554 318 1 . 1 1 70 70 ALA HA H 70 4.348 4.348 4.480 -0.132 17554 319 1 . 1 1 70 70 ALA CA C 70 52.626 52.626 51.833 0.793 17554 320 1 . 1 1 70 70 ALA CB C 70 19.386 19.386 19.201 0.185 17554 321 1 . 1 1 70 70 ALA H H 70 8.140 8.140 8.123 0.017 17554 322 1 . 1 1 71 71 SER N N 71 115.019 115.019 116.579 -1.560 17554 323 1 . 1 1 71 71 SER HA H 71 4.441 4.441 4.292 0.149 17554 324 1 . 1 1 71 71 SER CA C 71 58.592 58.592 59.243 -0.651 17554 325 1 . 1 1 71 71 SER CB C 71 63.975 63.975 62.718 1.257 17554 326 1 . 1 1 71 71 SER H H 71 8.379 8.379 8.352 0.027 17554 327 1 . 1 1 72 72 GLY N N 72 110.640 110.640 111.083 -0.443 17554 328 1 . 1 1 72 72 GLY CA C 72 45.546 45.546 45.111 0.435 17554 329 1 . 1 1 72 72 GLY H H 72 8.395 8.395 8.268 0.127 17554 330 1 . 1 1 73 73 LEU N N 73 121.191 121.191 122.661 -1.470 17554 331 1 . 1 1 73 73 LEU HA H 73 4.319 4.319 4.270 0.049 17554 332 1 . 1 1 73 73 LEU CA C 73 55.292 55.292 55.260 0.032 17554 333 1 . 1 1 73 73 LEU CB C 73 42.355 42.355 41.060 1.295 17554 334 1 . 1 1 73 73 LEU H H 73 8.088 8.088 8.211 -0.123 17554 335 1 . 1 1 74 74 ASP N N 74 120.099 120.099 120.409 -0.310 17554 336 1 . 1 1 74 74 ASP HA H 74 4.549 4.549 4.651 -0.102 17554 337 1 . 1 1 74 74 ASP CA C 74 54.451 54.451 54.276 0.175 17554 338 1 . 1 1 74 74 ASP CB C 74 41.071 41.071 41.831 -0.760 17554 339 1 . 1 1 74 74 ASP H H 74 8.312 8.312 8.249 0.063 17554 340 1 . 1 1 75 75 ASN N N 75 118.544 118.544 120.763 -2.219 17554 341 1 . 1 1 75 75 ASN HA H 75 4.627 4.627 4.717 -0.090 17554 342 1 . 1 1 75 75 ASN CA C 75 53.043 53.043 52.723 0.320 17554 343 1 . 1 1 75 75 ASN CB C 75 38.723 38.723 39.063 -0.340 17554 344 1 . 1 1 75 75 ASN H H 75 8.254 8.254 8.427 -0.173 17554 345 1 . 1 1 76 76 GLN N N 76 121.475 121.475 121.359 0.116 17554 346 1 . 1 1 76 76 GLN HA H 76 4.527 4.527 4.564 -0.037 17554 347 1 . 1 1 76 76 GLN CA C 76 53.613 53.613 53.820 -0.207 17554 348 1 . 1 1 76 76 GLN CB C 76 28.697 28.697 29.845 -1.148 17554 349 1 . 1 1 76 76 GLN H H 76 8.228 8.228 8.070 0.158 17554 350 1 . 1 1 77 77 PRO HA H 77 4.566 4.566 4.490 0.076 17554 351 1 . 1 1 77 77 PRO CA C 77 61.219 61.219 61.994 -0.775 17554 352 1 . 1 1 77 77 PRO CB C 77 31.453 31.453 31.257 0.196 17554 353 1 . 1 1 78 78 PRO HA H 78 4.449 4.449 4.440 0.009 17554 354 1 . 1 1 78 78 PRO CA C 78 62.743 62.743 63.001 -0.258 17554 355 1 . 1 1 78 78 PRO CB C 78 32.168 32.168 31.910 0.258 17554 356 1 . 1 1 79 79 GLU N N 79 127.716 127.716 126.670 1.046 17554 357 1 . 1 1 79 79 GLU HA H 79 3.843 3.843 3.826 0.017 17554 358 1 . 1 1 79 79 GLU CA C 79 59.074 59.074 59.871 -0.797 17554 359 1 . 1 1 79 79 GLU CB C 79 28.921 28.921 28.828 0.093 17554 360 1 . 1 1 79 79 GLU H H 79 9.073 9.073 8.906 0.167 17554 361 1 . 1 1 80 80 GLU N N 80 117.579 117.579 120.324 -2.745 17554 362 1 . 1 1 80 80 GLU HA H 80 4.120 4.120 4.103 0.017 17554 363 1 . 1 1 80 80 GLU CA C 80 59.468 59.468 59.148 0.320 17554 364 1 . 1 1 80 80 GLU CB C 80 28.680 28.680 29.077 -0.397 17554 365 1 . 1 1 80 80 GLU H H 80 9.604 9.604 8.780 0.824 17554 366 1 . 1 1 81 81 ILE N N 81 117.488 117.488 119.801 -2.313 17554 367 1 . 1 1 81 81 ILE HA H 81 4.068 4.068 3.867 0.201 17554 368 1 . 1 1 81 81 ILE CA C 81 63.261 63.261 64.344 -1.083 17554 369 1 . 1 1 81 81 ILE CB C 81 37.248 37.248 38.339 -1.091 17554 370 1 . 1 1 81 81 ILE H H 81 7.172 7.172 7.562 -0.390 17554 371 1 . 1 1 82 82 VAL N N 82 121.739 121.739 118.532 3.207 17554 372 1 . 1 1 82 82 VAL HA H 82 3.143 3.143 3.653 -0.510 17554 373 1 . 1 1 82 82 VAL CA C 82 67.507 67.507 66.579 0.928 17554 374 1 . 1 1 82 82 VAL CB C 82 31.816 31.816 31.263 0.553 17554 375 1 . 1 1 82 82 VAL H H 82 7.591 7.591 8.618 -1.027 17554 376 1 . 1 1 83 83 ALA N N 83 118.311 118.311 123.102 -4.791 17554 377 1 . 1 1 83 83 ALA HA H 83 4.341 4.341 4.015 0.326 17554 378 1 . 1 1 83 83 ALA CA C 83 54.186 54.186 55.159 -0.973 17554 379 1 . 1 1 83 83 ALA CB C 83 18.026 18.026 18.208 -0.182 17554 380 1 . 1 1 83 83 ALA H H 83 8.260 8.260 7.826 0.434 17554 381 1 . 1 1 84 84 ILE N N 84 119.780 119.780 119.660 0.120 17554 382 1 . 1 1 84 84 ILE HA H 84 3.737 3.737 3.600 0.137 17554 383 1 . 1 1 84 84 ILE CA C 84 65.095 65.095 65.535 -0.440 17554 384 1 . 1 1 84 84 ILE CB C 84 38.070 38.070 38.004 0.066 17554 385 1 . 1 1 84 84 ILE H H 84 7.298 7.298 7.708 -0.410 17554 386 1 . 1 1 85 85 ILE N N 85 119.424 119.424 119.221 0.203 17554 387 1 . 1 1 85 85 ILE HA H 85 3.884 3.884 3.753 0.131 17554 388 1 . 1 1 85 85 ILE CA C 85 66.207 66.207 65.919 0.288 17554 389 1 . 1 1 85 85 ILE CB C 85 38.043 38.043 37.953 0.090 17554 390 1 . 1 1 85 85 ILE H H 85 7.426 7.426 8.599 -1.173 17554 391 1 . 1 1 86 86 THR N N 86 112.538 112.538 114.368 -1.830 17554 392 1 . 1 1 86 86 THR HA H 86 4.669 4.669 4.314 0.355 17554 393 1 . 1 1 86 86 THR CA C 86 64.995 64.995 65.280 -0.285 17554 394 1 . 1 1 86 86 THR CB C 86 68.293 68.293 68.526 -0.233 17554 395 1 . 1 1 86 86 THR H H 86 9.097 9.097 8.275 0.822 17554 396 1 . 1 1 87 87 SER N N 87 120.681 120.681 116.821 3.860 17554 397 1 . 1 1 87 87 SER HA H 87 4.397 4.397 4.317 0.080 17554 398 1 . 1 1 87 87 SER CA C 87 61.715 61.715 60.696 1.019 17554 399 1 . 1 1 87 87 SER CB C 87 62.804 62.804 63.068 -0.264 17554 400 1 . 1 1 87 87 SER H H 87 8.250 8.250 8.127 0.123 17554 401 1 . 1 1 88 88 MET N N 88 119.753 119.753 118.283 1.470 17554 402 1 . 1 1 88 88 MET HA H 88 4.399 4.399 4.322 0.077 17554 403 1 . 1 1 88 88 MET CA C 88 56.596 56.596 55.724 0.872 17554 404 1 . 1 1 88 88 MET CB C 88 33.330 33.330 32.698 0.632 17554 405 1 . 1 1 88 88 MET H H 88 7.550 7.550 7.778 -0.228 17554 406 1 . 1 1 89 89 GLY N N 89 105.282 105.282 103.636 1.646 17554 407 1 . 1 1 89 89 GLY CA C 89 44.767 44.767 44.595 0.172 17554 408 1 . 1 1 89 89 GLY H H 89 7.866 7.866 7.467 0.399 17554 409 1 . 1 1 90 90 PHE N N 90 118.182 118.182 119.916 -1.734 17554 410 1 . 1 1 90 90 PHE HA H 90 4.721 4.721 4.890 -0.169 17554 411 1 . 1 1 90 90 PHE CA C 90 57.670 57.670 56.460 1.210 17554 412 1 . 1 1 90 90 PHE CB C 90 39.706 39.706 40.778 -1.072 17554 413 1 . 1 1 90 90 PHE H H 90 6.675 6.675 7.578 -0.903 17554 414 1 . 1 1 91 91 GLN N N 91 118.581 118.581 118.158 0.423 17554 415 1 . 1 1 91 91 GLN HA H 91 4.356 4.356 4.645 -0.289 17554 416 1 . 1 1 91 91 GLN CA C 91 55.485 55.485 54.593 0.892 17554 417 1 . 1 1 91 91 GLN CB C 91 29.969 29.969 31.452 -1.483 17554 418 1 . 1 1 91 91 GLN H H 91 8.854 8.854 8.509 0.345 17554 419 1 . 1 1 92 92 ARG N N 92 124.037 124.037 127.351 -3.314 17554 420 1 . 1 1 92 92 ARG HA H 92 3.624 3.624 4.034 -0.410 17554 421 1 . 1 1 92 92 ARG CA C 92 60.847 60.847 60.619 0.228 17554 422 1 . 1 1 92 92 ARG CB C 92 29.579 29.579 29.950 -0.371 17554 423 1 . 1 1 92 92 ARG H H 92 9.124 9.124 8.918 0.206 17554 424 1 . 1 1 93 93 ASN N N 93 115.060 115.060 117.626 -2.566 17554 425 1 . 1 1 93 93 ASN HA H 93 4.395 4.395 4.467 -0.072 17554 426 1 . 1 1 93 93 ASN CA C 93 56.562 56.562 56.271 0.291 17554 427 1 . 1 1 93 93 ASN CB C 93 37.059 37.059 37.749 -0.690 17554 428 1 . 1 1 93 93 ASN H H 93 9.117 9.117 8.601 0.516 17554 429 1 . 1 1 94 94 GLN N N 94 119.980 119.980 119.257 0.723 17554 430 1 . 1 1 94 94 GLN HA H 94 3.933 3.933 4.103 -0.170 17554 431 1 . 1 1 94 94 GLN CA C 94 58.775 58.775 59.146 -0.371 17554 432 1 . 1 1 94 94 GLN CB C 94 29.075 29.075 28.463 0.612 17554 433 1 . 1 1 94 94 GLN H H 94 7.033 7.033 8.510 -1.477 17554 434 1 . 1 1 95 95 ALA N N 95 120.823 120.823 122.920 -2.097 17554 435 1 . 1 1 95 95 ALA HA H 95 3.761 3.761 4.012 -0.251 17554 436 1 . 1 1 95 95 ALA CA C 95 55.680 55.680 55.181 0.499 17554 437 1 . 1 1 95 95 ALA CB C 95 19.601 19.601 18.496 1.105 17554 438 1 . 1 1 95 95 ALA H H 95 7.996 7.996 8.383 -0.387 17554 439 1 . 1 1 96 96 ILE N N 96 116.250 116.250 120.198 -3.948 17554 440 1 . 1 1 96 96 ILE HA H 96 3.420 3.420 3.512 -0.092 17554 441 1 . 1 1 96 96 ILE CA C 96 65.611 65.611 66.145 -0.534 17554 442 1 . 1 1 96 96 ILE CB C 96 37.869 37.869 37.916 -0.047 17554 443 1 . 1 1 96 96 ILE H H 96 8.408 8.408 8.359 0.049 17554 444 1 . 1 1 97 97 GLN N N 97 118.601 118.601 119.252 -0.651 17554 445 1 . 1 1 97 97 GLN HA H 97 3.734 3.734 3.777 -0.043 17554 446 1 . 1 1 97 97 GLN CA C 97 59.011 59.011 59.368 -0.357 17554 447 1 . 1 1 97 97 GLN CB C 97 28.425 28.425 28.622 -0.198 17554 448 1 . 1 1 97 97 GLN H H 97 7.767 7.767 8.210 -0.443 17554 449 1 . 1 1 98 98 ALA N N 98 121.375 121.375 122.698 -1.323 17554 450 1 . 1 1 98 98 ALA HA H 98 2.748 2.748 3.517 -0.769 17554 451 1 . 1 1 98 98 ALA CA C 98 54.408 54.408 55.032 -0.624 17554 452 1 . 1 1 98 98 ALA CB C 98 20.084 20.084 18.421 1.663 17554 453 1 . 1 1 98 98 ALA H H 98 7.905 7.905 7.907 -0.002 17554 454 1 . 1 1 99 99 LEU N N 99 118.409 118.409 118.957 -0.548 17554 455 1 . 1 1 99 99 LEU HA H 99 3.717 3.717 4.033 -0.316 17554 456 1 . 1 1 99 99 LEU CA C 99 57.529 57.529 57.239 0.290 17554 457 1 . 1 1 99 99 LEU CB C 99 40.714 40.714 41.384 -0.670 17554 458 1 . 1 1 99 99 LEU H H 99 7.938 7.938 8.345 -0.407 17554 459 1 . 1 1 100 100 ARG N N 100 119.771 119.771 119.387 0.384 17554 460 1 . 1 1 100 100 ARG HA H 100 4.107 4.107 3.821 0.286 17554 461 1 . 1 1 100 100 ARG CA C 100 59.182 59.182 59.454 -0.272 17554 462 1 . 1 1 100 100 ARG CB C 100 30.021 30.021 29.854 0.167 17554 463 1 . 1 1 100 100 ARG H H 100 8.248 8.248 8.330 -0.082 17554 464 1 . 1 1 101 101 ALA N N 101 119.288 119.288 119.433 -0.145 17554 465 1 . 1 1 101 101 ALA HA H 101 3.983 3.983 4.016 -0.033 17554 466 1 . 1 1 101 101 ALA CA C 101 53.663 53.663 54.099 -0.436 17554 467 1 . 1 1 101 101 ALA CB C 101 17.946 17.946 18.047 -0.101 17554 468 1 . 1 1 101 101 ALA H H 101 7.324 7.324 7.281 0.043 17554 469 1 . 1 1 102 102 THR N N 102 105.233 105.233 108.254 -3.021 17554 470 1 . 1 1 102 102 THR HA H 102 4.429 4.429 4.127 0.302 17554 471 1 . 1 1 102 102 THR CA C 102 60.535 60.535 62.592 -2.058 17554 472 1 . 1 1 102 102 THR CB C 102 71.036 71.036 69.518 1.518 17554 473 1 . 1 1 102 102 THR H H 102 7.113 7.113 7.805 -0.692 17554 474 1 . 1 1 103 103 ASN N N 103 119.293 119.293 119.259 0.034 17554 475 1 . 1 1 103 103 ASN HA H 103 4.343 4.343 4.309 0.034 17554 476 1 . 1 1 103 103 ASN CA C 103 54.462 54.462 54.156 0.306 17554 477 1 . 1 1 103 103 ASN CB C 103 36.960 36.960 36.943 0.017 17554 478 1 . 1 1 103 103 ASN H H 103 7.701 7.701 7.849 -0.148 17554 479 1 . 1 1 104 104 ASN N N 104 108.274 108.274 111.081 -2.807 17554 480 1 . 1 1 104 104 ASN HA H 104 3.956 3.956 4.257 -0.301 17554 481 1 . 1 1 104 104 ASN CA C 104 54.757 54.757 54.688 0.069 17554 482 1 . 1 1 104 104 ASN CB C 104 36.151 36.151 37.148 -0.996 17554 483 1 . 1 1 104 104 ASN H H 104 9.048 9.048 8.802 0.246 17554 484 1 . 1 1 105 105 ASN N N 105 118.458 118.458 118.439 0.019 17554 485 1 . 1 1 105 105 ASN HA H 105 4.728 4.728 4.775 -0.047 17554 486 1 . 1 1 105 105 ASN CA C 105 53.081 53.081 52.544 0.537 17554 487 1 . 1 1 105 105 ASN CB C 105 40.405 40.405 39.155 1.250 17554 488 1 . 1 1 105 105 ASN H H 105 7.061 7.061 7.541 -0.480 17554 489 1 . 1 1 106 106 LEU N N 106 128.727 128.727 128.145 0.582 17554 490 1 . 1 1 106 106 LEU HA H 106 3.732 3.732 3.975 -0.243 17554 491 1 . 1 1 106 106 LEU CA C 106 59.307 59.307 59.242 0.065 17554 492 1 . 1 1 106 106 LEU CB C 106 42.071 42.071 42.186 -0.115 17554 493 1 . 1 1 106 106 LEU H H 106 8.718 8.718 8.396 0.322 17554 494 1 . 1 1 107 107 GLU N N 107 117.325 117.325 118.117 -0.792 17554 495 1 . 1 1 107 107 GLU HA H 107 3.890 3.890 3.962 -0.072 17554 496 1 . 1 1 107 107 GLU CA C 107 60.871 60.871 59.813 1.058 17554 497 1 . 1 1 107 107 GLU CB C 107 28.881 28.881 28.753 0.128 17554 498 1 . 1 1 107 107 GLU H H 107 8.390 8.390 8.482 -0.092 17554 499 1 . 1 1 108 108 ARG N N 108 117.912 117.912 120.093 -2.181 17554 500 1 . 1 1 108 108 ARG HA H 108 4.265 4.265 4.184 0.081 17554 501 1 . 1 1 108 108 ARG CA C 108 58.748 58.748 58.767 -0.019 17554 502 1 . 1 1 108 108 ARG CB C 108 30.650 30.650 30.089 0.561 17554 503 1 . 1 1 108 108 ARG H H 108 8.410 8.410 8.593 -0.183 17554 504 1 . 1 1 109 109 ALA N N 109 127.124 127.124 123.420 3.704 17554 505 1 . 1 1 109 109 ALA HA H 109 3.900 3.900 4.105 -0.205 17554 506 1 . 1 1 109 109 ALA CA C 109 55.518 55.518 55.307 0.211 17554 507 1 . 1 1 109 109 ALA CB C 109 17.772 17.772 18.348 -0.577 17554 508 1 . 1 1 109 109 ALA H H 109 9.083 9.083 8.237 0.846 17554 509 1 . 1 1 110 110 LEU N N 110 118.715 118.715 118.970 -0.255 17554 510 1 . 1 1 110 110 LEU HA H 110 3.777 3.777 3.783 -0.006 17554 511 1 . 1 1 110 110 LEU CA C 110 57.997 57.997 58.113 -0.116 17554 512 1 . 1 1 110 110 LEU CB C 110 40.963 40.963 41.407 -0.444 17554 513 1 . 1 1 110 110 LEU H H 110 8.215 8.215 8.171 0.044 17554 514 1 . 1 1 111 111 ASP N N 111 118.516 118.516 119.904 -1.388 17554 515 1 . 1 1 111 111 ASP HA H 111 4.484 4.484 4.386 0.098 17554 516 1 . 1 1 111 111 ASP CA C 111 57.634 57.634 58.200 -0.566 17554 517 1 . 1 1 111 111 ASP CB C 111 41.026 41.026 41.017 0.009 17554 518 1 . 1 1 111 111 ASP H H 111 7.400 7.400 8.328 -0.928 17554 519 1 . 1 1 112 112 TRP N N 112 122.780 122.780 120.950 1.830 17554 520 1 . 1 1 112 112 TRP HA H 112 4.097 4.097 4.348 -0.251 17554 521 1 . 1 1 112 112 TRP CA C 112 62.365 62.365 60.883 1.482 17554 522 1 . 1 1 112 112 TRP CB C 112 29.490 29.490 29.811 -0.321 17554 523 1 . 1 1 112 112 TRP H H 112 8.525 8.525 8.317 0.208 17554 524 1 . 1 1 113 113 ILE N N 113 122.469 122.469 118.407 4.062 17554 525 1 . 1 1 113 113 ILE HA H 113 3.575 3.575 3.612 -0.037 17554 526 1 . 1 1 113 113 ILE CA C 113 66.239 66.239 64.872 1.367 17554 527 1 . 1 1 113 113 ILE CB C 113 37.688 37.688 37.394 0.294 17554 528 1 . 1 1 113 113 ILE H H 113 8.618 8.618 8.587 0.031 17554 529 1 . 1 1 114 114 PHE N N 114 118.665 118.665 120.726 -2.061 17554 530 1 . 1 1 114 114 PHE HA H 114 4.386 4.386 4.222 0.164 17554 531 1 . 1 1 114 114 PHE CA C 114 60.111 60.111 60.580 -0.469 17554 532 1 . 1 1 114 114 PHE CB C 114 38.344 38.344 39.171 -0.827 17554 533 1 . 1 1 114 114 PHE H H 114 8.109 8.109 8.511 -0.402 17554 534 1 . 1 1 115 115 SER N N 115 111.172 111.172 111.956 -0.784 17554 535 1 . 1 1 115 115 SER HA H 115 4.333 4.333 4.183 0.150 17554 536 1 . 1 1 115 115 SER CA C 115 58.593 58.593 59.128 -0.535 17554 537 1 . 1 1 115 115 SER CB C 115 64.067 64.067 63.073 0.994 17554 538 1 . 1 1 115 115 SER H H 115 7.723 7.723 7.532 0.191 17554 539 1 . 1 1 116 116 HIS N N 116 119.686 119.686 120.292 -0.606 17554 540 1 . 1 1 116 116 HIS HA H 116 4.749 4.749 5.008 -0.259 17554 541 1 . 1 1 116 116 HIS CA C 116 54.476 54.476 53.146 1.330 17554 542 1 . 1 1 116 116 HIS CB C 116 27.310 27.310 29.886 -2.576 17554 543 1 . 1 1 116 116 HIS H H 116 7.407 7.407 7.529 -0.122 17554 544 1 . 1 1 117 117 PRO HA H 117 4.465 4.465 4.114 0.351 17554 545 1 . 1 1 117 117 PRO CA C 117 64.170 64.170 64.971 -0.801 17554 546 1 . 1 1 117 117 PRO CB C 117 31.939 31.939 32.252 -0.313 17554 547 1 . 1 1 118 118 GLU N N 118 119.986 119.986 113.169 6.817 17554 548 1 . 1 1 118 118 GLU HA H 118 4.338 4.338 4.237 0.101 17554 549 1 . 1 1 118 118 GLU CA C 118 56.440 56.440 56.487 -0.047 17554 550 1 . 1 1 118 118 GLU CB C 118 29.469 29.469 30.188 -0.719 17554 551 1 . 1 1 118 118 GLU H H 118 8.667 8.667 8.138 0.529 17554 552 1 . 1 1 119 119 PHE N N 119 121.581 121.581 120.790 0.791 17554 553 1 . 1 1 119 119 PHE HA H 119 4.632 4.632 4.680 -0.048 17554 554 1 . 1 1 119 119 PHE CA C 119 57.981 57.981 57.641 0.340 17554 555 1 . 1 1 119 119 PHE CB C 119 39.805 39.805 40.018 -0.213 17554 556 1 . 1 1 119 119 PHE H H 119 8.054 8.054 7.867 0.187 17554 557 1 . 1 1 120 120 GLU N N 120 123.882 123.882 118.270 5.612 17554 558 1 . 1 1 120 120 GLU HA H 120 4.273 4.273 3.961 0.312 17554 559 1 . 1 1 120 120 GLU CA C 120 56.127 56.127 57.149 -1.022 17554 560 1 . 1 1 120 120 GLU CB C 120 30.789 30.789 29.110 1.678 17554 561 1 . 1 1 120 120 GLU H H 120 8.264 8.264 8.014 0.250 17554 562 1 . 1 1 121 121 GLU N N 121 122.504 122.504 120.923 1.581 17554 563 1 . 1 1 121 121 GLU HA H 121 4.213 4.213 4.385 -0.172 17554 564 1 . 1 1 121 121 GLU CA C 121 56.634 56.634 55.883 0.751 17554 565 1 . 1 1 121 121 GLU CB C 121 30.580 30.580 30.541 0.039 17554 566 1 . 1 1 121 121 GLU H H 121 8.398 8.398 8.295 0.103 17554 567 1 . 1 1 122 122 ASP N N 122 121.820 121.820 120.624 1.196 17554 568 1 . 1 1 122 122 ASP HA H 122 4.627 4.627 4.588 0.039 17554 569 1 . 1 1 122 122 ASP CA C 122 54.443 54.443 54.092 0.351 17554 570 1 . 1 1 122 122 ASP CB C 122 41.237 41.237 41.328 -0.091 17554 571 1 . 1 1 122 122 ASP H H 122 8.478 8.478 8.423 0.055 17554 572 1 . 1 1 123 123 SER N N 123 116.397 116.397 117.245 -0.848 17554 573 1 . 1 1 123 123 SER HA H 123 4.392 4.392 4.418 -0.026 17554 574 1 . 1 1 123 123 SER CA C 123 58.605 58.605 58.479 0.126 17554 575 1 . 1 1 123 123 SER CB C 123 64.064 64.064 63.600 0.464 17554 576 1 . 1 1 123 123 SER H H 123 8.236 8.236 8.291 -0.055 17554 577 1 . 1 1 124 124 ASP N N 124 122.070 122.070 122.644 -0.574 17554 578 1 . 1 1 124 124 ASP HA H 124 4.599 4.599 4.557 0.042 17554 579 1 . 1 1 124 124 ASP CA C 124 54.501 54.501 54.490 0.011 17554 580 1 . 1 1 124 124 ASP CB C 124 41.106 41.106 41.082 0.024 17554 581 1 . 1 1 124 124 ASP H H 124 8.378 8.378 8.276 0.102 17554 582 1 . 1 1 125 125 PHE N N 125 120.274 120.274 121.427 -1.153 17554 583 1 . 1 1 125 125 PHE HA H 125 4.623 4.623 4.609 0.014 17554 584 1 . 1 1 125 125 PHE CA C 125 57.913 57.913 58.058 -0.145 17554 585 1 . 1 1 125 125 PHE CB C 125 39.601 39.601 39.187 0.414 17554 586 1 . 1 1 125 125 PHE H H 125 8.049 8.049 8.219 -0.170 17554 stop_ save_