data_19149 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19149 _Entry.PDB_ID 2M6P 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 19149 _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 27 27 ARG N N 27 120.668 120.668 120.644 0.024 19149 2 1 1 . 1 1 27 27 ARG HA H 27 4.578 4.578 4.602 -0.024 19149 3 1 1 . 1 1 27 27 ARG C C 27 176.132 176.132 175.533 0.599 19149 4 1 1 . 1 1 27 27 ARG CA C 27 55.893 55.893 55.550 0.343 19149 5 1 1 . 1 1 27 27 ARG CB C 27 31.813 31.813 29.050 2.763 19149 6 1 1 . 1 1 27 27 ARG H H 27 8.320 8.320 8.483 -0.163 19149 7 1 1 . 1 1 28 28 GLN N N 28 119.898 119.898 119.462 0.436 19149 8 1 1 . 1 1 28 28 GLN HA H 28 4.608 4.608 4.593 0.015 19149 9 1 1 . 1 1 28 28 GLN C C 28 174.372 174.372 174.795 -0.423 19149 10 1 1 . 1 1 28 28 GLN CA C 28 55.320 55.320 53.436 1.884 19149 11 1 1 . 1 1 28 28 GLN CB C 28 31.403 31.403 31.750 -0.347 19149 12 1 1 . 1 1 28 28 GLN H H 28 8.756 8.756 7.905 0.851 19149 13 1 1 . 1 1 29 29 ILE N N 29 122.828 122.828 121.821 1.007 19149 14 1 1 . 1 1 29 29 ILE HA H 29 4.598 4.598 4.163 0.435 19149 15 1 1 . 1 1 29 29 ILE C C 29 175.158 175.158 176.063 -0.905 19149 16 1 1 . 1 1 29 29 ILE CA C 29 59.825 59.825 60.254 -0.429 19149 17 1 1 . 1 1 29 29 ILE CB C 29 38.857 38.857 36.038 2.819 19149 18 1 1 . 1 1 29 29 ILE H H 29 8.433 8.433 8.662 -0.229 19149 19 1 1 . 1 1 30 30 ALA N N 30 131.643 131.643 131.758 -0.115 19149 20 1 1 . 1 1 30 30 ALA HA H 30 4.578 4.578 4.504 0.074 19149 21 1 1 . 1 1 30 30 ALA C C 30 174.728 174.728 175.537 -0.809 19149 22 1 1 . 1 1 30 30 ALA CA C 30 50.487 50.487 51.102 -0.615 19149 23 1 1 . 1 1 30 30 ALA CB C 30 23.049 23.049 21.191 1.858 19149 24 1 1 . 1 1 30 30 ALA H H 30 8.801 8.801 8.648 0.153 19149 25 1 1 . 1 1 31 31 ARG N N 31 120.391 120.391 123.102 -2.711 19149 26 1 1 . 1 1 31 31 ARG HA H 31 5.450 5.450 5.516 -0.066 19149 27 1 1 . 1 1 31 31 ARG C C 31 176.076 176.076 175.122 0.954 19149 28 1 1 . 1 1 31 31 ARG CA C 31 54.400 54.400 54.747 -0.347 19149 29 1 1 . 1 1 31 31 ARG CB C 31 33.400 33.400 32.524 0.876 19149 30 1 1 . 1 1 31 31 ARG H H 31 8.285 8.285 8.088 0.197 19149 31 1 1 . 1 1 32 32 TYR N N 32 119.947 119.947 126.787 -6.840 19149 32 1 1 . 1 1 32 32 TYR HA H 32 5.011 5.011 4.952 0.059 19149 33 1 1 . 1 1 32 32 TYR C C 32 174.803 174.803 174.629 0.174 19149 34 1 1 . 1 1 32 32 TYR CA C 32 57.286 57.286 56.883 0.403 19149 35 1 1 . 1 1 32 32 TYR CB C 32 44.099 44.099 39.956 4.143 19149 36 1 1 . 1 1 32 32 TYR H H 32 8.895 8.895 9.062 -0.167 19149 37 1 1 . 1 1 33 33 ARG N N 33 121.071 121.071 127.070 -5.999 19149 38 1 1 . 1 1 33 33 ARG HA H 33 5.818 5.818 5.240 0.578 19149 39 1 1 . 1 1 33 33 ARG C C 33 177.873 177.873 177.099 0.774 19149 40 1 1 . 1 1 33 33 ARG CA C 33 54.091 54.091 54.926 -0.835 19149 41 1 1 . 1 1 33 33 ARG CB C 33 34.188 34.188 32.142 2.046 19149 42 1 1 . 1 1 33 33 ARG H H 33 8.918 8.918 9.243 -0.325 19149 43 1 1 . 1 1 34 34 THR N N 34 119.578 119.578 119.911 -0.333 19149 44 1 1 . 1 1 34 34 THR HA H 34 5.060 5.060 4.523 0.537 19149 45 1 1 . 1 1 34 34 THR C C 34 177.274 177.274 175.879 1.395 19149 46 1 1 . 1 1 34 34 THR CA C 34 61.545 61.545 60.316 1.229 19149 47 1 1 . 1 1 34 34 THR CB C 34 70.718 70.718 69.942 0.776 19149 48 1 1 . 1 1 34 34 THR H H 34 9.583 9.583 9.087 0.496 19149 49 1 1 . 1 1 35 35 ASP N N 35 120.797 120.797 119.679 1.118 19149 50 1 1 . 1 1 35 35 ASP HA H 35 4.509 4.509 4.406 0.103 19149 51 1 1 . 1 1 35 35 ASP C C 35 176.188 176.188 176.729 -0.541 19149 52 1 1 . 1 1 35 35 ASP CA C 35 57.777 57.777 57.043 0.734 19149 53 1 1 . 1 1 35 35 ASP CB C 35 40.741 40.741 40.847 -0.106 19149 54 1 1 . 1 1 35 35 ASP H H 35 9.601 9.601 8.797 0.804 19149 55 1 1 . 1 1 36 36 ASN N N 36 114.714 114.714 116.514 -1.800 19149 56 1 1 . 1 1 36 36 ASN HA H 36 4.736 4.736 4.705 0.031 19149 57 1 1 . 1 1 36 36 ASN C C 36 176.188 176.188 176.001 0.187 19149 58 1 1 . 1 1 36 36 ASN CA C 36 52.617 52.617 53.406 -0.789 19149 59 1 1 . 1 1 36 36 ASN CB C 36 37.792 37.792 38.275 -0.483 19149 60 1 1 . 1 1 36 36 ASN H H 36 7.824 7.824 8.347 -0.523 19149 61 1 1 . 1 1 37 37 GLY N N 37 108.692 108.692 106.825 1.867 19149 62 1 1 . 1 1 37 37 GLY C C 37 174.428 174.428 174.481 -0.053 19149 63 1 1 . 1 1 37 37 GLY CA C 37 45.082 45.082 45.108 -0.026 19149 64 1 1 . 1 1 37 37 GLY H H 37 8.520 8.520 8.073 0.447 19149 65 1 1 . 1 1 38 38 GLU N N 38 120.618 120.618 121.708 -1.090 19149 66 1 1 . 1 1 38 38 GLU HA H 38 4.135 4.135 4.268 -0.133 19149 67 1 1 . 1 1 38 38 GLU C C 38 174.204 174.204 176.156 -1.952 19149 68 1 1 . 1 1 38 38 GLU CA C 38 58.023 58.023 56.809 1.214 19149 69 1 1 . 1 1 38 38 GLU CB C 38 31.239 31.239 30.128 1.111 19149 70 1 1 . 1 1 38 38 GLU H H 38 7.159 7.159 8.014 -0.855 19149 71 1 1 . 1 1 39 39 GLU N N 39 118.314 118.314 123.073 -4.759 19149 72 1 1 . 1 1 39 39 GLU HA H 39 5.592 5.592 4.935 0.657 19149 73 1 1 . 1 1 39 39 GLU C C 39 176.020 176.020 175.946 0.074 19149 74 1 1 . 1 1 39 39 GLU CA C 39 54.337 54.337 55.630 -1.293 19149 75 1 1 . 1 1 39 39 GLU CB C 39 33.451 33.451 31.463 1.988 19149 76 1 1 . 1 1 39 39 GLU H H 39 7.904 7.904 8.611 -0.707 19149 77 1 1 . 1 1 40 40 PHE N N 40 119.679 119.679 122.681 -3.002 19149 78 1 1 . 1 1 40 40 PHE HA H 40 4.736 4.736 4.834 -0.098 19149 79 1 1 . 1 1 40 40 PHE C C 40 174.410 174.410 174.599 -0.189 19149 80 1 1 . 1 1 40 40 PHE CA C 40 57.695 57.695 56.838 0.857 19149 81 1 1 . 1 1 40 40 PHE CB C 40 43.280 43.280 42.354 0.926 19149 82 1 1 . 1 1 40 40 PHE H H 40 9.181 9.181 8.992 0.189 19149 83 1 1 . 1 1 41 41 GLU N N 41 121.828 121.828 124.551 -2.723 19149 84 1 1 . 1 1 41 41 GLU HA H 41 5.080 5.080 5.422 -0.342 19149 85 1 1 . 1 1 41 41 GLU C C 41 176.525 176.525 175.786 0.739 19149 86 1 1 . 1 1 41 41 GLU CA C 41 55.565 55.565 55.061 0.504 19149 87 1 1 . 1 1 41 41 GLU CB C 41 31.403 31.403 31.389 0.014 19149 88 1 1 . 1 1 41 41 GLU H H 41 8.741 8.741 8.873 -0.132 19149 89 1 1 . 1 1 42 42 VAL N N 42 127.341 127.341 116.082 11.259 19149 90 1 1 . 1 1 42 42 VAL HA H 42 4.495 4.495 4.547 -0.052 19149 91 1 1 . 1 1 42 42 VAL C C 42 172.949 172.949 173.051 -0.102 19149 92 1 1 . 1 1 42 42 VAL CA C 42 59.415 59.415 58.894 0.521 19149 93 1 1 . 1 1 42 42 VAL CB C 42 35.990 35.990 33.554 2.436 19149 94 1 1 . 1 1 42 42 VAL H H 42 9.393 9.393 8.506 0.887 19149 95 1 1 . 1 1 43 43 PRO HA H 43 5.179 5.179 4.564 0.615 19149 96 1 1 . 1 1 43 43 PRO CA C 43 61.545 61.545 62.931 -1.385 19149 97 1 1 . 1 1 43 43 PRO CB C 43 26.637 26.637 31.628 -4.991 19149 98 1 1 . 1 1 44 44 PHE N N 44 119.921 119.921 125.313 -5.392 19149 99 1 1 . 1 1 44 44 PHE HA H 44 4.568 4.568 4.687 -0.119 19149 100 1 1 . 1 1 44 44 PHE C C 44 175.046 175.046 175.818 -0.772 19149 101 1 1 . 1 1 44 44 PHE CA C 44 57.531 57.531 56.646 0.885 19149 102 1 1 . 1 1 44 44 PHE CB C 44 44.017 44.017 42.002 2.015 19149 103 1 1 . 1 1 44 44 PHE H H 44 8.901 8.901 8.292 0.609 19149 104 1 1 . 1 1 45 45 ALA N N 45 123.051 123.051 123.831 -0.780 19149 105 1 1 . 1 1 45 45 ALA HA H 45 4.460 4.460 4.554 -0.094 19149 106 1 1 . 1 1 45 45 ALA C C 45 178.378 178.378 178.102 0.276 19149 107 1 1 . 1 1 45 45 ALA CA C 45 52.207 52.207 51.157 1.050 19149 108 1 1 . 1 1 45 45 ALA CB C 45 19.609 19.609 19.880 -0.271 19149 109 1 1 . 1 1 45 45 ALA H H 45 8.711 8.711 8.540 0.171 19149 110 1 1 . 1 1 46 46 ASP N N 46 119.600 119.600 117.524 2.076 19149 111 1 1 . 1 1 46 46 ASP HA H 46 4.312 4.312 4.441 -0.129 19149 112 1 1 . 1 1 46 46 ASP C C 46 175.945 175.945 176.217 -0.272 19149 113 1 1 . 1 1 46 46 ASP CA C 46 56.712 56.712 55.696 1.016 19149 114 1 1 . 1 1 46 46 ASP CB C 46 40.904 40.904 40.723 0.181 19149 115 1 1 . 1 1 46 46 ASP H H 46 8.592 8.592 8.701 -0.109 19149 116 1 1 . 1 1 47 47 ASP N N 47 115.496 115.496 117.448 -1.952 19149 117 1 1 . 1 1 47 47 ASP HA H 47 4.558 4.558 4.506 0.052 19149 118 1 1 . 1 1 47 47 ASP C C 47 175.776 175.776 175.587 0.189 19149 119 1 1 . 1 1 47 47 ASP CA C 47 53.272 53.272 54.050 -0.778 19149 120 1 1 . 1 1 47 47 ASP CB C 47 40.167 40.167 40.420 -0.253 19149 121 1 1 . 1 1 47 47 ASP H H 47 8.256 8.256 8.157 0.099 19149 122 1 1 . 1 1 48 48 ALA N N 48 122.516 122.516 123.351 -0.835 19149 123 1 1 . 1 1 48 48 ALA HA H 48 4.368 4.368 4.469 -0.101 19149 124 1 1 . 1 1 48 48 ALA C C 48 177.405 177.405 176.333 1.072 19149 125 1 1 . 1 1 48 48 ALA CA C 48 52.207 52.207 51.375 0.832 19149 126 1 1 . 1 1 48 48 ALA CB C 48 20.510 20.510 20.296 0.214 19149 127 1 1 . 1 1 48 48 ALA H H 48 7.394 7.394 7.434 -0.040 19149 128 1 1 . 1 1 49 49 GLU N N 49 120.796 120.796 123.319 -2.523 19149 129 1 1 . 1 1 49 49 GLU HA H 49 4.211 4.211 4.270 -0.059 19149 130 1 1 . 1 1 49 49 GLU C C 49 175.533 175.533 175.115 0.418 19149 131 1 1 . 1 1 49 49 GLU CA C 49 55.647 55.647 55.785 -0.138 19149 132 1 1 . 1 1 49 49 GLU CB C 49 30.093 30.093 30.368 -0.275 19149 133 1 1 . 1 1 49 49 GLU H H 49 8.227 8.227 8.389 -0.162 19149 134 1 1 . 1 1 50 50 ILE N N 50 127.078 127.078 122.781 4.297 19149 135 1 1 . 1 1 50 50 ILE HA H 50 3.474 3.474 4.151 -0.677 19149 136 1 1 . 1 1 50 50 ILE C C 50 174.859 174.859 174.064 0.795 19149 137 1 1 . 1 1 50 50 ILE CA C 50 58.105 58.105 56.544 1.561 19149 138 1 1 . 1 1 50 50 ILE CB C 50 37.464 37.464 36.942 0.522 19149 139 1 1 . 1 1 50 50 ILE H H 50 8.179 8.179 8.250 -0.071 19149 140 1 1 . 1 1 51 51 PRO HA H 51 4.716 4.716 4.823 -0.107 19149 141 1 1 . 1 1 51 51 PRO C C 51 177.948 177.948 176.535 1.413 19149 142 1 1 . 1 1 51 51 PRO CA C 51 62.364 62.364 61.735 0.629 19149 143 1 1 . 1 1 51 51 PRO CB C 51 32.796 32.796 33.345 -0.549 19149 144 1 1 . 1 1 52 52 GLY N N 52 107.298 107.298 105.880 1.418 19149 145 1 1 . 1 1 52 52 GLY C C 52 174.410 174.410 173.540 0.870 19149 146 1 1 . 1 1 52 52 GLY CA C 52 46.802 46.802 45.056 1.746 19149 147 1 1 . 1 1 52 52 GLY H H 52 8.899 8.899 9.211 -0.312 19149 148 1 1 . 1 1 53 53 THR N N 53 110.516 110.516 109.007 1.509 19149 149 1 1 . 1 1 53 53 THR HA H 53 5.645 5.645 5.759 -0.114 19149 150 1 1 . 1 1 53 53 THR C C 53 172.781 172.781 173.299 -0.518 19149 151 1 1 . 1 1 53 53 THR CA C 53 59.579 59.579 59.389 0.190 19149 152 1 1 . 1 1 53 53 THR CB C 53 72.930 72.930 72.272 0.658 19149 153 1 1 . 1 1 53 53 THR H H 53 7.661 7.661 7.598 0.063 19149 154 1 1 . 1 1 54 54 TRP N N 54 120.834 120.834 126.567 -5.733 19149 155 1 1 . 1 1 54 54 TRP HA H 54 4.460 4.460 4.650 -0.190 19149 156 1 1 . 1 1 54 54 TRP C C 54 174.222 174.222 173.274 0.948 19149 157 1 1 . 1 1 54 54 TRP CA C 54 56.057 56.057 56.810 -0.753 19149 158 1 1 . 1 1 54 54 TRP CB C 54 31.403 31.403 32.361 -0.958 19149 159 1 1 . 1 1 54 54 TRP H H 54 8.161 8.161 8.505 -0.344 19149 160 1 1 . 1 1 55 55 LEU N N 55 130.424 130.424 127.908 2.516 19149 161 1 1 . 1 1 55 55 LEU HA H 55 4.204 4.204 4.077 0.127 19149 162 1 1 . 1 1 55 55 LEU C C 55 175.177 175.177 175.724 -0.547 19149 163 1 1 . 1 1 55 55 LEU CA C 55 54.828 54.828 55.709 -0.881 19149 164 1 1 . 1 1 55 55 LEU CB C 55 39.921 39.921 41.265 -1.344 19149 165 1 1 . 1 1 55 55 LEU H H 55 7.360 7.360 7.885 -0.525 19149 166 1 1 . 1 1 56 56 CYS N N 56 125.442 125.442 126.508 -1.066 19149 167 1 1 . 1 1 56 56 CYS HA H 56 4.320 4.320 4.626 -0.306 19149 168 1 1 . 1 1 56 56 CYS C C 56 176.862 176.862 176.218 0.644 19149 169 1 1 . 1 1 56 56 CYS CA C 56 60.070 60.070 56.515 3.555 19149 170 1 1 . 1 1 56 56 CYS CB C 56 29.274 29.274 29.416 -0.142 19149 171 1 1 . 1 1 56 56 CYS H H 56 8.110 8.110 8.428 -0.318 19149 172 1 1 . 1 1 57 57 ARG N N 57 120.000 120.000 122.051 -2.051 19149 173 1 1 . 1 1 57 57 ARG HA H 57 4.007 4.007 4.122 -0.115 19149 174 1 1 . 1 1 57 57 ARG C C 57 175.608 175.608 176.311 -0.703 19149 175 1 1 . 1 1 57 57 ARG CA C 57 58.350 58.350 58.756 -0.406 19149 176 1 1 . 1 1 57 57 ARG CB C 57 29.847 29.847 30.032 -0.185 19149 177 1 1 . 1 1 57 57 ARG H H 57 8.120 8.120 8.825 -0.705 19149 178 1 1 . 1 1 58 58 ASN N N 58 114.879 114.879 115.251 -0.372 19149 179 1 1 . 1 1 58 58 ASN HA H 58 4.627 4.627 4.759 -0.132 19149 180 1 1 . 1 1 58 58 ASN C C 58 175.982 175.982 176.001 -0.019 19149 181 1 1 . 1 1 58 58 ASN CA C 58 52.453 52.453 52.938 -0.485 19149 182 1 1 . 1 1 58 58 ASN CB C 58 37.546 37.546 37.955 -0.409 19149 183 1 1 . 1 1 58 58 ASN H H 58 6.907 6.907 7.648 -0.741 19149 184 1 1 . 1 1 59 59 GLY N N 59 107.258 107.258 108.665 -1.407 19149 185 1 1 . 1 1 59 59 GLY C C 59 173.324 173.324 173.143 0.181 19149 186 1 1 . 1 1 59 59 GLY CA C 59 45.245 45.245 44.919 0.326 19149 187 1 1 . 1 1 59 59 GLY H H 59 8.222 8.222 8.046 0.176 19149 188 1 1 . 1 1 60 60 MET N N 60 118.147 118.147 119.590 -1.443 19149 189 1 1 . 1 1 60 60 MET HA H 60 4.539 4.539 4.713 -0.174 19149 190 1 1 . 1 1 60 60 MET C C 60 174.353 174.353 174.307 0.046 19149 191 1 1 . 1 1 60 60 MET CA C 60 54.091 54.091 53.373 0.718 19149 192 1 1 . 1 1 60 60 MET CB C 60 35.007 35.007 35.819 -0.812 19149 193 1 1 . 1 1 60 60 MET H H 60 7.386 7.386 7.660 -0.274 19149 194 1 1 . 1 1 61 61 GLU N N 61 121.830 121.830 125.561 -3.731 19149 195 1 1 . 1 1 61 61 GLU HA H 61 4.519 4.519 4.428 0.091 19149 196 1 1 . 1 1 61 61 GLU C C 61 176.637 176.637 176.682 -0.045 19149 197 1 1 . 1 1 61 61 GLU CA C 61 56.876 56.876 56.239 0.637 19149 198 1 1 . 1 1 61 61 GLU CB C 61 30.584 30.584 29.686 0.898 19149 199 1 1 . 1 1 61 61 GLU H H 61 8.742 8.742 8.716 0.026 19149 200 1 1 . 1 1 62 62 GLY N N 62 116.891 116.891 113.504 3.387 19149 201 1 1 . 1 1 62 62 GLY C C 62 172.145 172.145 173.516 -1.371 19149 202 1 1 . 1 1 62 62 GLY CA C 62 44.344 44.344 44.511 -0.167 19149 203 1 1 . 1 1 62 62 GLY H H 62 9.783 9.783 8.361 1.422 19149 204 1 1 . 1 1 63 63 THR N N 63 116.976 116.976 120.148 -3.172 19149 205 1 1 . 1 1 63 63 THR HA H 63 5.060 5.060 5.292 -0.232 19149 206 1 1 . 1 1 63 63 THR C C 63 174.709 174.709 174.785 -0.076 19149 207 1 1 . 1 1 63 63 THR CA C 63 62.036 62.036 61.977 0.059 19149 208 1 1 . 1 1 63 63 THR CB C 63 71.128 71.128 70.086 1.042 19149 209 1 1 . 1 1 63 63 THR H H 63 8.811 8.811 8.722 0.089 19149 210 1 1 . 1 1 64 64 LEU N N 64 129.784 129.784 129.857 -0.073 19149 211 1 1 . 1 1 64 64 LEU HA H 64 3.749 3.749 4.945 -1.196 19149 212 1 1 . 1 1 64 64 LEU C C 64 176.581 176.581 176.271 0.310 19149 213 1 1 . 1 1 64 64 LEU CA C 64 56.303 56.303 54.317 1.986 19149 214 1 1 . 1 1 64 64 LEU CB C 64 43.198 43.198 42.679 0.519 19149 215 1 1 . 1 1 64 64 LEU H H 64 8.178 8.178 8.857 -0.678 19149 216 1 1 . 1 1 65 65 ILE N N 65 127.682 127.682 127.273 0.409 19149 217 1 1 . 1 1 65 65 ILE HA H 65 4.102 4.102 3.972 0.130 19149 218 1 1 . 1 1 65 65 ILE C C 65 175.720 175.720 175.308 0.412 19149 219 1 1 . 1 1 65 65 ILE CA C 65 61.381 61.381 61.561 -0.180 19149 220 1 1 . 1 1 65 65 ILE CB C 65 38.611 38.611 36.605 2.006 19149 221 1 1 . 1 1 65 65 ILE H H 65 8.713 8.713 8.060 0.653 19149 222 1 1 . 1 1 66 66 GLU N N 66 126.115 126.115 122.721 3.394 19149 223 1 1 . 1 1 66 66 GLU HA H 66 4.312 4.312 3.981 0.331 19149 224 1 1 . 1 1 66 66 GLU C C 66 176.562 176.562 175.392 1.170 19149 225 1 1 . 1 1 66 66 GLU CA C 66 56.630 56.630 56.810 -0.180 19149 226 1 1 . 1 1 66 66 GLU CB C 66 31.076 31.076 28.875 2.200 19149 227 1 1 . 1 1 66 66 GLU H H 66 8.392 8.392 8.449 -0.057 19149 228 1 1 . 1 1 67 67 GLY N N 67 109.600 109.600 110.410 -0.810 19149 229 1 1 . 1 1 67 67 GLY C C 67 173.474 173.474 173.573 -0.099 19149 230 1 1 . 1 1 67 67 GLY CA C 67 45.245 45.245 44.903 0.342 19149 231 1 1 . 1 1 67 67 GLY H H 67 8.330 8.330 8.653 -0.323 19149 232 1 1 . 1 1 68 68 ASP N N 68 120.192 120.192 120.155 0.037 19149 233 1 1 . 1 1 68 68 ASP HA H 68 4.627 4.627 4.528 0.099 19149 234 1 1 . 1 1 68 68 ASP C C 68 175.926 175.926 175.545 0.381 19149 235 1 1 . 1 1 68 68 ASP CA C 68 54.091 54.091 53.552 0.539 19149 236 1 1 . 1 1 68 68 ASP CB C 68 41.396 41.396 41.260 0.137 19149 237 1 1 . 1 1 68 68 ASP H H 68 8.236 8.236 8.040 0.196 19149 238 1 1 . 1 1 69 69 LEU N N 69 123.225 123.225 120.761 2.464 19149 239 1 1 . 1 1 69 69 LEU HA H 69 4.608 4.608 4.765 -0.157 19149 240 1 1 . 1 1 69 69 LEU C C 69 175.233 175.233 175.315 -0.082 19149 241 1 1 . 1 1 69 69 LEU CA C 69 53.190 53.190 52.565 0.625 19149 242 1 1 . 1 1 69 69 LEU CB C 69 41.887 41.887 42.111 -0.224 19149 243 1 1 . 1 1 69 69 LEU H H 69 8.130 8.130 8.305 -0.175 19149 244 1 1 . 1 1 70 70 PRO HA H 70 4.421 4.421 4.598 -0.177 19149 245 1 1 . 1 1 70 70 PRO CA C 70 63.224 63.224 62.633 0.591 19149 246 1 1 . 1 1 70 70 PRO CB C 70 32.189 32.189 32.447 -0.258 19149 247 1 2 . 1 1 27 27 ARG N N 27 120.668 120.668 123.823 -3.155 19149 248 1 2 . 1 1 27 27 ARG HA H 27 4.578 4.578 4.065 0.513 19149 249 1 2 . 1 1 27 27 ARG C C 27 176.132 176.132 174.898 1.234 19149 250 1 2 . 1 1 27 27 ARG CA C 27 55.893 55.893 57.007 -1.114 19149 251 1 2 . 1 1 27 27 ARG CB C 27 31.813 31.813 29.121 2.692 19149 252 1 2 . 1 1 27 27 ARG H H 27 8.320 8.320 9.231 -0.911 19149 253 1 2 . 1 1 28 28 GLN N N 28 119.898 119.898 119.509 0.389 19149 254 1 2 . 1 1 28 28 GLN HA H 28 4.608 4.608 4.699 -0.091 19149 255 1 2 . 1 1 28 28 GLN C C 28 174.372 174.372 174.654 -0.282 19149 256 1 2 . 1 1 28 28 GLN CA C 28 55.320 55.320 54.483 0.837 19149 257 1 2 . 1 1 28 28 GLN CB C 28 31.403 31.403 30.461 0.942 19149 258 1 2 . 1 1 28 28 GLN H H 28 8.756 8.756 8.170 0.586 19149 259 1 2 . 1 1 29 29 ILE N N 29 122.828 122.828 125.221 -2.393 19149 260 1 2 . 1 1 29 29 ILE HA H 29 4.598 4.598 4.335 0.263 19149 261 1 2 . 1 1 29 29 ILE C C 29 175.158 175.158 175.799 -0.641 19149 262 1 2 . 1 1 29 29 ILE CA C 29 59.825 59.825 60.742 -0.917 19149 263 1 2 . 1 1 29 29 ILE CB C 29 38.857 38.857 37.859 0.998 19149 264 1 2 . 1 1 29 29 ILE H H 29 8.433 8.433 8.719 -0.286 19149 265 1 2 . 1 1 30 30 ALA N N 30 131.643 131.643 131.689 -0.046 19149 266 1 2 . 1 1 30 30 ALA HA H 30 4.578 4.578 4.493 0.085 19149 267 1 2 . 1 1 30 30 ALA C C 30 174.728 174.728 175.327 -0.599 19149 268 1 2 . 1 1 30 30 ALA CA C 30 50.487 50.487 50.764 -0.277 19149 269 1 2 . 1 1 30 30 ALA CB C 30 23.049 23.049 21.179 1.870 19149 270 1 2 . 1 1 30 30 ALA H H 30 8.801 8.801 8.564 0.237 19149 271 1 2 . 1 1 31 31 ARG N N 31 120.391 120.391 122.272 -1.881 19149 272 1 2 . 1 1 31 31 ARG HA H 31 5.450 5.450 5.542 -0.092 19149 273 1 2 . 1 1 31 31 ARG C C 31 176.076 176.076 175.300 0.776 19149 274 1 2 . 1 1 31 31 ARG CA C 31 54.400 54.400 54.861 -0.461 19149 275 1 2 . 1 1 31 31 ARG CB C 31 33.400 33.400 32.972 0.428 19149 276 1 2 . 1 1 31 31 ARG H H 31 8.285 8.285 8.215 0.070 19149 277 1 2 . 1 1 32 32 TYR N N 32 119.947 119.947 125.765 -5.818 19149 278 1 2 . 1 1 32 32 TYR HA H 32 5.011 5.011 4.904 0.107 19149 279 1 2 . 1 1 32 32 TYR C C 32 174.803 174.803 174.401 0.402 19149 280 1 2 . 1 1 32 32 TYR CA C 32 57.286 57.286 57.794 -0.508 19149 281 1 2 . 1 1 32 32 TYR CB C 32 44.099 44.099 40.052 4.047 19149 282 1 2 . 1 1 32 32 TYR H H 32 8.895 8.895 9.167 -0.272 19149 283 1 2 . 1 1 33 33 ARG N N 33 121.071 121.071 126.828 -5.757 19149 284 1 2 . 1 1 33 33 ARG HA H 33 5.818 5.818 5.703 0.115 19149 285 1 2 . 1 1 33 33 ARG C C 33 177.873 177.873 177.186 0.687 19149 286 1 2 . 1 1 33 33 ARG CA C 33 54.091 54.091 54.583 -0.492 19149 287 1 2 . 1 1 33 33 ARG CB C 33 34.188 34.188 32.769 1.419 19149 288 1 2 . 1 1 33 33 ARG H H 33 8.918 8.918 9.277 -0.359 19149 289 1 2 . 1 1 34 34 THR N N 34 119.578 119.578 119.599 -0.021 19149 290 1 2 . 1 1 34 34 THR HA H 34 5.060 5.060 4.680 0.380 19149 291 1 2 . 1 1 34 34 THR C C 34 177.274 177.274 175.731 1.543 19149 292 1 2 . 1 1 34 34 THR CA C 34 61.545 61.545 60.195 1.350 19149 293 1 2 . 1 1 34 34 THR CB C 34 70.718 70.718 70.412 0.306 19149 294 1 2 . 1 1 34 34 THR H H 34 9.583 9.583 9.077 0.506 19149 295 1 2 . 1 1 35 35 ASP N N 35 120.797 120.797 121.074 -0.277 19149 296 1 2 . 1 1 35 35 ASP HA H 35 4.509 4.509 4.450 0.059 19149 297 1 2 . 1 1 35 35 ASP C C 35 176.188 176.188 176.940 -0.752 19149 298 1 2 . 1 1 35 35 ASP CA C 35 57.777 57.777 56.974 0.803 19149 299 1 2 . 1 1 35 35 ASP CB C 35 40.741 40.741 40.785 -0.044 19149 300 1 2 . 1 1 35 35 ASP H H 35 9.601 9.601 8.998 0.603 19149 301 1 2 . 1 1 36 36 ASN N N 36 114.714 114.714 116.283 -1.569 19149 302 1 2 . 1 1 36 36 ASN HA H 36 4.736 4.736 4.709 0.027 19149 303 1 2 . 1 1 36 36 ASN C C 36 176.188 176.188 176.102 0.086 19149 304 1 2 . 1 1 36 36 ASN CA C 36 52.617 52.617 53.493 -0.876 19149 305 1 2 . 1 1 36 36 ASN CB C 36 37.792 37.792 38.561 -0.769 19149 306 1 2 . 1 1 36 36 ASN H H 36 7.824 7.824 8.563 -0.739 19149 307 1 2 . 1 1 37 37 GLY N N 37 108.692 108.692 107.427 1.265 19149 308 1 2 . 1 1 37 37 GLY C C 37 174.428 174.428 174.111 0.317 19149 309 1 2 . 1 1 37 37 GLY CA C 37 45.082 45.082 44.951 0.131 19149 310 1 2 . 1 1 37 37 GLY H H 37 8.520 8.520 8.132 0.388 19149 311 1 2 . 1 1 38 38 GLU N N 38 120.618 120.618 121.835 -1.217 19149 312 1 2 . 1 1 38 38 GLU HA H 38 4.135 4.135 4.125 0.010 19149 313 1 2 . 1 1 38 38 GLU C C 38 174.204 174.204 175.827 -1.623 19149 314 1 2 . 1 1 38 38 GLU CA C 38 58.023 58.023 56.440 1.583 19149 315 1 2 . 1 1 38 38 GLU CB C 38 31.239 31.239 30.048 1.191 19149 316 1 2 . 1 1 38 38 GLU H H 38 7.159 7.159 7.814 -0.655 19149 317 1 2 . 1 1 39 39 GLU N N 39 118.314 118.314 124.482 -6.168 19149 318 1 2 . 1 1 39 39 GLU HA H 39 5.592 5.592 4.858 0.734 19149 319 1 2 . 1 1 39 39 GLU C C 39 176.020 176.020 175.601 0.419 19149 320 1 2 . 1 1 39 39 GLU CA C 39 54.337 54.337 55.239 -0.902 19149 321 1 2 . 1 1 39 39 GLU CB C 39 33.451 33.451 31.034 2.417 19149 322 1 2 . 1 1 39 39 GLU H H 39 7.904 7.904 8.626 -0.722 19149 323 1 2 . 1 1 40 40 PHE N N 40 119.679 119.679 124.682 -5.003 19149 324 1 2 . 1 1 40 40 PHE HA H 40 4.736 4.736 4.766 -0.030 19149 325 1 2 . 1 1 40 40 PHE C C 40 174.410 174.410 174.842 -0.432 19149 326 1 2 . 1 1 40 40 PHE CA C 40 57.695 57.695 57.090 0.605 19149 327 1 2 . 1 1 40 40 PHE CB C 40 43.280 43.280 41.297 1.983 19149 328 1 2 . 1 1 40 40 PHE H H 40 9.181 9.181 9.364 -0.183 19149 329 1 2 . 1 1 41 41 GLU N N 41 121.828 121.828 124.895 -3.067 19149 330 1 2 . 1 1 41 41 GLU HA H 41 5.080 5.080 5.203 -0.123 19149 331 1 2 . 1 1 41 41 GLU C C 41 176.525 176.525 175.892 0.633 19149 332 1 2 . 1 1 41 41 GLU CA C 41 55.565 55.565 54.949 0.616 19149 333 1 2 . 1 1 41 41 GLU CB C 41 31.403 31.403 30.622 0.781 19149 334 1 2 . 1 1 41 41 GLU H H 41 8.741 8.741 8.849 -0.108 19149 335 1 2 . 1 1 42 42 VAL N N 42 127.341 127.341 117.986 9.355 19149 336 1 2 . 1 1 42 42 VAL HA H 42 4.495 4.495 4.498 -0.003 19149 337 1 2 . 1 1 42 42 VAL C C 42 172.949 172.949 173.231 -0.282 19149 338 1 2 . 1 1 42 42 VAL CA C 42 59.415 59.415 58.269 1.147 19149 339 1 2 . 1 1 42 42 VAL CB C 42 35.990 35.990 32.717 3.273 19149 340 1 2 . 1 1 42 42 VAL H H 42 9.393 9.393 8.875 0.518 19149 341 1 2 . 1 1 43 43 PRO HA H 43 5.179 5.179 4.485 0.694 19149 342 1 2 . 1 1 43 43 PRO CA C 43 61.545 61.545 62.791 -1.246 19149 343 1 2 . 1 1 43 43 PRO CB C 43 26.637 26.637 31.113 -4.476 19149 344 1 2 . 1 1 44 44 PHE N N 44 119.921 119.921 125.763 -5.842 19149 345 1 2 . 1 1 44 44 PHE HA H 44 4.568 4.568 4.597 -0.029 19149 346 1 2 . 1 1 44 44 PHE C C 44 175.046 175.046 175.713 -0.667 19149 347 1 2 . 1 1 44 44 PHE CA C 44 57.531 57.531 56.941 0.590 19149 348 1 2 . 1 1 44 44 PHE CB C 44 44.017 44.017 40.831 3.187 19149 349 1 2 . 1 1 44 44 PHE H H 44 8.901 8.901 8.059 0.842 19149 350 1 2 . 1 1 45 45 ALA N N 45 123.051 123.051 122.554 0.497 19149 351 1 2 . 1 1 45 45 ALA HA H 45 4.460 4.460 4.550 -0.090 19149 352 1 2 . 1 1 45 45 ALA C C 45 178.378 178.378 178.016 0.362 19149 353 1 2 . 1 1 45 45 ALA CA C 45 52.207 52.207 51.389 0.818 19149 354 1 2 . 1 1 45 45 ALA CB C 45 19.609 19.609 19.836 -0.227 19149 355 1 2 . 1 1 45 45 ALA H H 45 8.711 8.711 8.517 0.194 19149 356 1 2 . 1 1 46 46 ASP N N 46 119.600 119.600 118.951 0.649 19149 357 1 2 . 1 1 46 46 ASP HA H 46 4.312 4.312 4.470 -0.158 19149 358 1 2 . 1 1 46 46 ASP C C 46 175.945 175.945 176.269 -0.324 19149 359 1 2 . 1 1 46 46 ASP CA C 46 56.712 56.712 55.637 1.075 19149 360 1 2 . 1 1 46 46 ASP CB C 46 40.904 40.904 40.995 -0.090 19149 361 1 2 . 1 1 46 46 ASP H H 46 8.592 8.592 8.743 -0.151 19149 362 1 2 . 1 1 47 47 ASP N N 47 115.496 115.496 118.279 -2.783 19149 363 1 2 . 1 1 47 47 ASP HA H 47 4.558 4.558 4.570 -0.012 19149 364 1 2 . 1 1 47 47 ASP C C 47 175.776 175.776 175.597 0.179 19149 365 1 2 . 1 1 47 47 ASP CA C 47 53.272 53.272 54.611 -1.339 19149 366 1 2 . 1 1 47 47 ASP CB C 47 40.167 40.167 41.045 -0.878 19149 367 1 2 . 1 1 47 47 ASP H H 47 8.256 8.256 8.157 0.099 19149 368 1 2 . 1 1 48 48 ALA N N 48 122.516 122.516 122.769 -0.253 19149 369 1 2 . 1 1 48 48 ALA HA H 48 4.368 4.368 4.510 -0.142 19149 370 1 2 . 1 1 48 48 ALA C C 48 177.405 177.405 176.149 1.256 19149 371 1 2 . 1 1 48 48 ALA CA C 48 52.207 52.207 51.281 0.926 19149 372 1 2 . 1 1 48 48 ALA CB C 48 20.510 20.510 20.791 -0.281 19149 373 1 2 . 1 1 48 48 ALA H H 48 7.394 7.394 7.473 -0.079 19149 374 1 2 . 1 1 49 49 GLU N N 49 120.796 120.796 120.478 0.318 19149 375 1 2 . 1 1 49 49 GLU HA H 49 4.211 4.211 4.328 -0.117 19149 376 1 2 . 1 1 49 49 GLU C C 49 175.533 175.533 174.771 0.762 19149 377 1 2 . 1 1 49 49 GLU CA C 49 55.647 55.647 55.709 -0.062 19149 378 1 2 . 1 1 49 49 GLU CB C 49 30.093 30.093 30.328 -0.235 19149 379 1 2 . 1 1 49 49 GLU H H 49 8.227 8.227 8.330 -0.103 19149 380 1 2 . 1 1 50 50 ILE N N 50 127.078 127.078 122.651 4.427 19149 381 1 2 . 1 1 50 50 ILE HA H 50 3.474 3.474 4.326 -0.852 19149 382 1 2 . 1 1 50 50 ILE C C 50 174.859 174.859 174.530 0.329 19149 383 1 2 . 1 1 50 50 ILE CA C 50 58.105 58.105 56.704 1.401 19149 384 1 2 . 1 1 50 50 ILE CB C 50 37.464 37.464 37.102 0.362 19149 385 1 2 . 1 1 50 50 ILE H H 50 8.179 8.179 8.310 -0.131 19149 386 1 2 . 1 1 51 51 PRO HA H 51 4.716 4.716 4.674 0.042 19149 387 1 2 . 1 1 51 51 PRO C C 51 177.948 177.948 176.524 1.424 19149 388 1 2 . 1 1 51 51 PRO CA C 51 62.364 62.364 62.091 0.273 19149 389 1 2 . 1 1 51 51 PRO CB C 51 32.796 32.796 32.844 -0.048 19149 390 1 2 . 1 1 52 52 GLY N N 52 107.298 107.298 105.631 1.667 19149 391 1 2 . 1 1 52 52 GLY C C 52 174.410 174.410 173.805 0.605 19149 392 1 2 . 1 1 52 52 GLY CA C 52 46.802 46.802 45.025 1.777 19149 393 1 2 . 1 1 52 52 GLY H H 52 8.899 8.899 8.886 0.013 19149 394 1 2 . 1 1 53 53 THR N N 53 110.516 110.516 111.515 -0.999 19149 395 1 2 . 1 1 53 53 THR HA H 53 5.645 5.645 5.675 -0.030 19149 396 1 2 . 1 1 53 53 THR C C 53 172.781 172.781 173.334 -0.553 19149 397 1 2 . 1 1 53 53 THR CA C 53 59.579 59.579 60.172 -0.593 19149 398 1 2 . 1 1 53 53 THR CB C 53 72.930 72.930 71.454 1.476 19149 399 1 2 . 1 1 53 53 THR H H 53 7.661 7.661 7.551 0.110 19149 400 1 2 . 1 1 54 54 TRP N N 54 120.834 120.834 125.898 -5.064 19149 401 1 2 . 1 1 54 54 TRP HA H 54 4.460 4.460 4.623 -0.163 19149 402 1 2 . 1 1 54 54 TRP C C 54 174.222 174.222 173.608 0.614 19149 403 1 2 . 1 1 54 54 TRP CA C 54 56.057 56.057 56.235 -0.178 19149 404 1 2 . 1 1 54 54 TRP CB C 54 31.403 31.403 31.852 -0.449 19149 405 1 2 . 1 1 54 54 TRP H H 54 8.161 8.161 8.629 -0.468 19149 406 1 2 . 1 1 55 55 LEU N N 55 130.424 130.424 129.138 1.286 19149 407 1 2 . 1 1 55 55 LEU HA H 55 4.204 4.204 4.067 0.137 19149 408 1 2 . 1 1 55 55 LEU C C 55 175.177 175.177 175.673 -0.496 19149 409 1 2 . 1 1 55 55 LEU CA C 55 54.828 54.828 55.620 -0.792 19149 410 1 2 . 1 1 55 55 LEU CB C 55 39.921 39.921 40.841 -0.920 19149 411 1 2 . 1 1 55 55 LEU H H 55 7.360 7.360 7.996 -0.636 19149 412 1 2 . 1 1 56 56 CYS N N 56 125.442 125.442 125.751 -0.309 19149 413 1 2 . 1 1 56 56 CYS HA H 56 4.320 4.320 4.487 -0.167 19149 414 1 2 . 1 1 56 56 CYS C C 56 176.862 176.862 176.371 0.491 19149 415 1 2 . 1 1 56 56 CYS CA C 56 60.070 60.070 56.370 3.700 19149 416 1 2 . 1 1 56 56 CYS CB C 56 29.274 29.274 29.621 -0.347 19149 417 1 2 . 1 1 56 56 CYS H H 56 8.110 8.110 8.337 -0.227 19149 418 1 2 . 1 1 57 57 ARG N N 57 120.000 120.000 122.589 -2.589 19149 419 1 2 . 1 1 57 57 ARG HA H 57 4.007 4.007 4.029 -0.022 19149 420 1 2 . 1 1 57 57 ARG C C 57 175.608 175.608 176.052 -0.444 19149 421 1 2 . 1 1 57 57 ARG CA C 57 58.350 58.350 58.627 -0.277 19149 422 1 2 . 1 1 57 57 ARG CB C 57 29.847 29.847 29.687 0.160 19149 423 1 2 . 1 1 57 57 ARG H H 57 8.120 8.120 8.659 -0.539 19149 424 1 2 . 1 1 58 58 ASN N N 58 114.879 114.879 116.852 -1.973 19149 425 1 2 . 1 1 58 58 ASN HA H 58 4.627 4.627 4.721 -0.094 19149 426 1 2 . 1 1 58 58 ASN C C 58 175.982 175.982 175.872 0.110 19149 427 1 2 . 1 1 58 58 ASN CA C 58 52.453 52.453 52.737 -0.284 19149 428 1 2 . 1 1 58 58 ASN CB C 58 37.546 37.546 38.098 -0.552 19149 429 1 2 . 1 1 58 58 ASN H H 58 6.907 6.907 7.696 -0.789 19149 430 1 2 . 1 1 59 59 GLY N N 59 107.258 107.258 107.905 -0.647 19149 431 1 2 . 1 1 59 59 GLY C C 59 173.324 173.324 173.318 0.006 19149 432 1 2 . 1 1 59 59 GLY CA C 59 45.245 45.245 45.019 0.226 19149 433 1 2 . 1 1 59 59 GLY H H 59 8.222 8.222 8.062 0.160 19149 434 1 2 . 1 1 60 60 MET N N 60 118.147 118.147 120.306 -2.159 19149 435 1 2 . 1 1 60 60 MET HA H 60 4.539 4.539 4.737 -0.198 19149 436 1 2 . 1 1 60 60 MET C C 60 174.353 174.353 174.521 -0.168 19149 437 1 2 . 1 1 60 60 MET CA C 60 54.091 54.091 53.150 0.941 19149 438 1 2 . 1 1 60 60 MET CB C 60 35.007 35.007 35.598 -0.591 19149 439 1 2 . 1 1 60 60 MET H H 60 7.386 7.386 7.987 -0.601 19149 440 1 2 . 1 1 61 61 GLU N N 61 121.830 121.830 125.414 -3.584 19149 441 1 2 . 1 1 61 61 GLU HA H 61 4.519 4.519 4.320 0.199 19149 442 1 2 . 1 1 61 61 GLU C C 61 176.637 176.637 176.551 0.086 19149 443 1 2 . 1 1 61 61 GLU CA C 61 56.876 56.876 56.203 0.673 19149 444 1 2 . 1 1 61 61 GLU CB C 61 30.584 30.584 29.539 1.045 19149 445 1 2 . 1 1 61 61 GLU H H 61 8.742 8.742 8.754 -0.012 19149 446 1 2 . 1 1 62 62 GLY N N 62 116.891 116.891 113.614 3.277 19149 447 1 2 . 1 1 62 62 GLY C C 62 172.145 172.145 173.944 -1.799 19149 448 1 2 . 1 1 62 62 GLY CA C 62 44.344 44.344 45.157 -0.813 19149 449 1 2 . 1 1 62 62 GLY H H 62 9.783 9.783 8.671 1.112 19149 450 1 2 . 1 1 63 63 THR N N 63 116.976 116.976 121.264 -4.288 19149 451 1 2 . 1 1 63 63 THR HA H 63 5.060 5.060 5.258 -0.198 19149 452 1 2 . 1 1 63 63 THR C C 63 174.709 174.709 174.679 0.030 19149 453 1 2 . 1 1 63 63 THR CA C 63 62.036 62.036 61.701 0.335 19149 454 1 2 . 1 1 63 63 THR CB C 63 71.128 71.128 70.109 1.019 19149 455 1 2 . 1 1 63 63 THR H H 63 8.811 8.811 8.797 0.014 19149 456 1 2 . 1 1 64 64 LEU N N 64 129.784 129.784 130.051 -0.267 19149 457 1 2 . 1 1 64 64 LEU HA H 64 3.749 3.749 4.733 -0.984 19149 458 1 2 . 1 1 64 64 LEU C C 64 176.581 176.581 176.401 0.180 19149 459 1 2 . 1 1 64 64 LEU CA C 64 56.303 56.303 54.691 1.611 19149 460 1 2 . 1 1 64 64 LEU CB C 64 43.198 43.198 42.485 0.713 19149 461 1 2 . 1 1 64 64 LEU H H 64 8.178 8.178 9.003 -0.825 19149 462 1 2 . 1 1 65 65 ILE N N 65 127.682 127.682 127.794 -0.112 19149 463 1 2 . 1 1 65 65 ILE HA H 65 4.102 4.102 4.029 0.073 19149 464 1 2 . 1 1 65 65 ILE C C 65 175.720 175.720 175.500 0.220 19149 465 1 2 . 1 1 65 65 ILE CA C 65 61.381 61.381 61.515 -0.134 19149 466 1 2 . 1 1 65 65 ILE CB C 65 38.611 38.611 36.773 1.838 19149 467 1 2 . 1 1 65 65 ILE H H 65 8.713 8.713 8.099 0.614 19149 468 1 2 . 1 1 66 66 GLU N N 66 126.115 126.115 123.942 2.173 19149 469 1 2 . 1 1 66 66 GLU HA H 66 4.312 4.312 4.073 0.239 19149 470 1 2 . 1 1 66 66 GLU C C 66 176.562 176.562 175.302 1.260 19149 471 1 2 . 1 1 66 66 GLU CA C 66 56.630 56.630 57.038 -0.408 19149 472 1 2 . 1 1 66 66 GLU CB C 66 31.076 31.076 28.020 3.056 19149 473 1 2 . 1 1 66 66 GLU H H 66 8.392 8.392 8.705 -0.313 19149 474 1 2 . 1 1 67 67 GLY N N 67 109.600 109.600 108.571 1.029 19149 475 1 2 . 1 1 67 67 GLY C C 67 173.474 173.474 173.213 0.261 19149 476 1 2 . 1 1 67 67 GLY CA C 67 45.245 45.245 44.110 1.135 19149 477 1 2 . 1 1 67 67 GLY H H 67 8.330 8.330 8.387 -0.057 19149 478 1 2 . 1 1 68 68 ASP N N 68 120.192 120.192 120.694 -0.502 19149 479 1 2 . 1 1 68 68 ASP HA H 68 4.627 4.627 4.508 0.119 19149 480 1 2 . 1 1 68 68 ASP C C 68 175.926 175.926 176.503 -0.577 19149 481 1 2 . 1 1 68 68 ASP CA C 68 54.091 54.091 54.981 -0.890 19149 482 1 2 . 1 1 68 68 ASP CB C 68 41.396 41.396 41.246 0.150 19149 483 1 2 . 1 1 68 68 ASP H H 68 8.236 8.236 8.293 -0.057 19149 484 1 2 . 1 1 69 69 LEU N N 69 123.225 123.225 127.076 -3.851 19149 485 1 2 . 1 1 69 69 LEU HA H 69 4.608 4.608 4.693 -0.085 19149 486 1 2 . 1 1 69 69 LEU C C 69 175.233 175.233 175.050 0.183 19149 487 1 2 . 1 1 69 69 LEU CA C 69 53.190 53.190 51.879 1.311 19149 488 1 2 . 1 1 69 69 LEU CB C 69 41.887 41.887 43.080 -1.193 19149 489 1 2 . 1 1 69 69 LEU H H 69 8.130 8.130 8.138 -0.008 19149 490 1 2 . 1 1 70 70 PRO HA H 70 4.421 4.421 4.483 -0.062 19149 491 1 2 . 1 1 70 70 PRO CA C 70 63.224 63.224 63.010 0.214 19149 492 1 2 . 1 1 70 70 PRO CB C 70 32.189 32.189 31.885 0.304 19149 493 1 3 . 1 1 27 27 ARG N N 27 120.668 120.668 123.291 -2.623 19149 494 1 3 . 1 1 27 27 ARG HA H 27 4.578 4.578 4.799 -0.221 19149 495 1 3 . 1 1 27 27 ARG C C 27 176.132 176.132 175.315 0.817 19149 496 1 3 . 1 1 27 27 ARG CA C 27 55.893 55.893 54.924 0.969 19149 497 1 3 . 1 1 27 27 ARG CB C 27 31.813 31.813 29.465 2.348 19149 498 1 3 . 1 1 27 27 ARG H H 27 8.320 8.320 8.404 -0.084 19149 499 1 3 . 1 1 28 28 GLN N N 28 119.898 119.898 121.768 -1.870 19149 500 1 3 . 1 1 28 28 GLN HA H 28 4.608 4.608 4.614 -0.006 19149 501 1 3 . 1 1 28 28 GLN C C 28 174.372 174.372 174.228 0.144 19149 502 1 3 . 1 1 28 28 GLN CA C 28 55.320 55.320 53.660 1.660 19149 503 1 3 . 1 1 28 28 GLN CB C 28 31.403 31.403 32.023 -0.620 19149 504 1 3 . 1 1 28 28 GLN H H 28 8.756 8.756 8.007 0.749 19149 505 1 3 . 1 1 29 29 ILE N N 29 122.828 122.828 120.796 2.032 19149 506 1 3 . 1 1 29 29 ILE HA H 29 4.598 4.598 4.246 0.352 19149 507 1 3 . 1 1 29 29 ILE C C 29 175.158 175.158 175.758 -0.600 19149 508 1 3 . 1 1 29 29 ILE CA C 29 59.825 59.825 60.513 -0.688 19149 509 1 3 . 1 1 29 29 ILE CB C 29 38.857 38.857 37.977 0.880 19149 510 1 3 . 1 1 29 29 ILE H H 29 8.433 8.433 8.458 -0.025 19149 511 1 3 . 1 1 30 30 ALA N N 30 131.643 131.643 131.551 0.092 19149 512 1 3 . 1 1 30 30 ALA HA H 30 4.578 4.578 4.541 0.037 19149 513 1 3 . 1 1 30 30 ALA C C 30 174.728 174.728 175.704 -0.976 19149 514 1 3 . 1 1 30 30 ALA CA C 30 50.487 50.487 50.550 -0.063 19149 515 1 3 . 1 1 30 30 ALA CB C 30 23.049 23.049 21.320 1.729 19149 516 1 3 . 1 1 30 30 ALA H H 30 8.801 8.801 8.514 0.287 19149 517 1 3 . 1 1 31 31 ARG N N 31 120.391 120.391 120.228 0.163 19149 518 1 3 . 1 1 31 31 ARG HA H 31 5.450 5.450 5.306 0.144 19149 519 1 3 . 1 1 31 31 ARG C C 31 176.076 176.076 175.442 0.634 19149 520 1 3 . 1 1 31 31 ARG CA C 31 54.400 54.400 54.564 -0.164 19149 521 1 3 . 1 1 31 31 ARG CB C 31 33.400 33.400 32.237 1.163 19149 522 1 3 . 1 1 31 31 ARG H H 31 8.285 8.285 8.211 0.074 19149 523 1 3 . 1 1 32 32 TYR N N 32 119.947 119.947 124.643 -4.696 19149 524 1 3 . 1 1 32 32 TYR HA H 32 5.011 5.011 4.881 0.130 19149 525 1 3 . 1 1 32 32 TYR C C 32 174.803 174.803 174.439 0.364 19149 526 1 3 . 1 1 32 32 TYR CA C 32 57.286 57.286 58.041 -0.755 19149 527 1 3 . 1 1 32 32 TYR CB C 32 44.099 44.099 40.138 3.961 19149 528 1 3 . 1 1 32 32 TYR H H 32 8.895 8.895 9.308 -0.413 19149 529 1 3 . 1 1 33 33 ARG N N 33 121.071 121.071 127.036 -5.965 19149 530 1 3 . 1 1 33 33 ARG HA H 33 5.818 5.818 5.199 0.619 19149 531 1 3 . 1 1 33 33 ARG C C 33 177.873 177.873 176.644 1.229 19149 532 1 3 . 1 1 33 33 ARG CA C 33 54.091 54.091 55.036 -0.945 19149 533 1 3 . 1 1 33 33 ARG CB C 33 34.188 34.188 32.728 1.460 19149 534 1 3 . 1 1 33 33 ARG H H 33 8.918 8.918 9.374 -0.456 19149 535 1 3 . 1 1 34 34 THR N N 34 119.578 119.578 118.947 0.631 19149 536 1 3 . 1 1 34 34 THR HA H 34 5.060 5.060 4.713 0.347 19149 537 1 3 . 1 1 34 34 THR C C 34 177.274 177.274 175.425 1.849 19149 538 1 3 . 1 1 34 34 THR CA C 34 61.545 61.545 60.938 0.607 19149 539 1 3 . 1 1 34 34 THR CB C 34 70.718 70.718 70.964 -0.246 19149 540 1 3 . 1 1 34 34 THR H H 34 9.583 9.583 9.129 0.454 19149 541 1 3 . 1 1 35 35 ASP N N 35 120.797 120.797 122.552 -1.755 19149 542 1 3 . 1 1 35 35 ASP HA H 35 4.509 4.509 4.480 0.029 19149 543 1 3 . 1 1 35 35 ASP C C 35 176.188 176.188 177.017 -0.829 19149 544 1 3 . 1 1 35 35 ASP CA C 35 57.777 57.777 56.424 1.353 19149 545 1 3 . 1 1 35 35 ASP CB C 35 40.741 40.741 40.754 -0.013 19149 546 1 3 . 1 1 35 35 ASP H H 35 9.601 9.601 8.627 0.974 19149 547 1 3 . 1 1 36 36 ASN N N 36 114.714 114.714 116.479 -1.765 19149 548 1 3 . 1 1 36 36 ASN HA H 36 4.736 4.736 4.660 0.076 19149 549 1 3 . 1 1 36 36 ASN C C 36 176.188 176.188 176.296 -0.108 19149 550 1 3 . 1 1 36 36 ASN CA C 36 52.617 52.617 53.871 -1.254 19149 551 1 3 . 1 1 36 36 ASN CB C 36 37.792 37.792 39.155 -1.363 19149 552 1 3 . 1 1 36 36 ASN H H 36 7.824 7.824 8.494 -0.670 19149 553 1 3 . 1 1 37 37 GLY N N 37 108.692 108.692 107.270 1.422 19149 554 1 3 . 1 1 37 37 GLY C C 37 174.428 174.428 174.402 0.026 19149 555 1 3 . 1 1 37 37 GLY CA C 37 45.082 45.082 45.014 0.068 19149 556 1 3 . 1 1 37 37 GLY H H 37 8.520 8.520 8.137 0.383 19149 557 1 3 . 1 1 38 38 GLU N N 38 120.618 120.618 122.078 -1.460 19149 558 1 3 . 1 1 38 38 GLU HA H 38 4.135 4.135 4.352 -0.217 19149 559 1 3 . 1 1 38 38 GLU C C 38 174.204 174.204 175.906 -1.702 19149 560 1 3 . 1 1 38 38 GLU CA C 38 58.023 58.023 55.822 2.201 19149 561 1 3 . 1 1 38 38 GLU CB C 38 31.239 31.239 30.255 0.984 19149 562 1 3 . 1 1 38 38 GLU H H 38 7.159 7.159 7.900 -0.741 19149 563 1 3 . 1 1 39 39 GLU N N 39 118.314 118.314 122.910 -4.596 19149 564 1 3 . 1 1 39 39 GLU HA H 39 5.592 5.592 5.048 0.544 19149 565 1 3 . 1 1 39 39 GLU C C 39 176.020 176.020 175.923 0.097 19149 566 1 3 . 1 1 39 39 GLU CA C 39 54.337 54.337 55.423 -1.086 19149 567 1 3 . 1 1 39 39 GLU CB C 39 33.451 33.451 31.534 1.917 19149 568 1 3 . 1 1 39 39 GLU H H 39 7.904 7.904 8.628 -0.724 19149 569 1 3 . 1 1 40 40 PHE N N 40 119.679 119.679 123.327 -3.648 19149 570 1 3 . 1 1 40 40 PHE HA H 40 4.736 4.736 4.823 -0.087 19149 571 1 3 . 1 1 40 40 PHE C C 40 174.410 174.410 174.642 -0.232 19149 572 1 3 . 1 1 40 40 PHE CA C 40 57.695 57.695 56.787 0.908 19149 573 1 3 . 1 1 40 40 PHE CB C 40 43.280 43.280 41.844 1.436 19149 574 1 3 . 1 1 40 40 PHE H H 40 9.181 9.181 9.360 -0.179 19149 575 1 3 . 1 1 41 41 GLU N N 41 121.828 121.828 124.361 -2.533 19149 576 1 3 . 1 1 41 41 GLU HA H 41 5.080 5.080 5.259 -0.179 19149 577 1 3 . 1 1 41 41 GLU C C 41 176.525 176.525 175.918 0.607 19149 578 1 3 . 1 1 41 41 GLU CA C 41 55.565 55.565 54.981 0.584 19149 579 1 3 . 1 1 41 41 GLU CB C 41 31.403 31.403 30.954 0.449 19149 580 1 3 . 1 1 41 41 GLU H H 41 8.741 8.741 8.795 -0.054 19149 581 1 3 . 1 1 42 42 VAL N N 42 127.341 127.341 116.672 10.669 19149 582 1 3 . 1 1 42 42 VAL HA H 42 4.495 4.495 4.427 0.068 19149 583 1 3 . 1 1 42 42 VAL C C 42 172.949 172.949 173.096 -0.147 19149 584 1 3 . 1 1 42 42 VAL CA C 42 59.415 59.415 58.261 1.154 19149 585 1 3 . 1 1 42 42 VAL CB C 42 35.990 35.990 32.827 3.163 19149 586 1 3 . 1 1 42 42 VAL H H 42 9.393 9.393 8.542 0.851 19149 587 1 3 . 1 1 43 43 PRO HA H 43 5.179 5.179 4.656 0.523 19149 588 1 3 . 1 1 43 43 PRO CA C 43 61.545 61.545 62.486 -0.941 19149 589 1 3 . 1 1 43 43 PRO CB C 43 26.637 26.637 30.648 -4.011 19149 590 1 3 . 1 1 44 44 PHE N N 44 119.921 119.921 124.774 -4.853 19149 591 1 3 . 1 1 44 44 PHE HA H 44 4.568 4.568 4.369 0.199 19149 592 1 3 . 1 1 44 44 PHE C C 44 175.046 175.046 176.120 -1.074 19149 593 1 3 . 1 1 44 44 PHE CA C 44 57.531 57.531 57.613 -0.082 19149 594 1 3 . 1 1 44 44 PHE CB C 44 44.017 44.017 39.843 4.174 19149 595 1 3 . 1 1 44 44 PHE H H 44 8.901 8.901 7.754 1.147 19149 596 1 3 . 1 1 45 45 ALA N N 45 123.051 123.051 123.873 -0.822 19149 597 1 3 . 1 1 45 45 ALA HA H 45 4.460 4.460 4.250 0.210 19149 598 1 3 . 1 1 45 45 ALA C C 45 178.378 178.378 178.194 0.184 19149 599 1 3 . 1 1 45 45 ALA CA C 45 52.207 52.207 52.404 -0.197 19149 600 1 3 . 1 1 45 45 ALA CB C 45 19.609 19.609 19.552 0.057 19149 601 1 3 . 1 1 45 45 ALA H H 45 8.711 8.711 8.566 0.145 19149 602 1 3 . 1 1 46 46 ASP N N 46 119.600 119.600 118.900 0.700 19149 603 1 3 . 1 1 46 46 ASP HA H 46 4.312 4.312 4.480 -0.168 19149 604 1 3 . 1 1 46 46 ASP C C 46 175.945 175.945 176.411 -0.466 19149 605 1 3 . 1 1 46 46 ASP CA C 46 56.712 56.712 56.712 0.000 19149 606 1 3 . 1 1 46 46 ASP CB C 46 40.904 40.904 41.027 -0.123 19149 607 1 3 . 1 1 46 46 ASP H H 46 8.592 8.592 8.751 -0.159 19149 608 1 3 . 1 1 47 47 ASP N N 47 115.496 115.496 114.384 1.112 19149 609 1 3 . 1 1 47 47 ASP HA H 47 4.558 4.558 4.507 0.051 19149 610 1 3 . 1 1 47 47 ASP C C 47 175.776 175.776 175.384 0.392 19149 611 1 3 . 1 1 47 47 ASP CA C 47 53.272 53.272 53.736 -0.464 19149 612 1 3 . 1 1 47 47 ASP CB C 47 40.167 40.167 40.190 -0.023 19149 613 1 3 . 1 1 47 47 ASP H H 47 8.256 8.256 8.232 0.024 19149 614 1 3 . 1 1 48 48 ALA N N 48 122.516 122.516 123.217 -0.701 19149 615 1 3 . 1 1 48 48 ALA HA H 48 4.368 4.368 4.454 -0.086 19149 616 1 3 . 1 1 48 48 ALA C C 48 177.405 177.405 176.214 1.191 19149 617 1 3 . 1 1 48 48 ALA CA C 48 52.207 52.207 51.323 0.884 19149 618 1 3 . 1 1 48 48 ALA CB C 48 20.510 20.510 20.357 0.153 19149 619 1 3 . 1 1 48 48 ALA H H 48 7.394 7.394 7.497 -0.103 19149 620 1 3 . 1 1 49 49 GLU N N 49 120.796 120.796 121.387 -0.591 19149 621 1 3 . 1 1 49 49 GLU HA H 49 4.211 4.211 4.342 -0.131 19149 622 1 3 . 1 1 49 49 GLU C C 49 175.533 175.533 175.373 0.160 19149 623 1 3 . 1 1 49 49 GLU CA C 49 55.647 55.647 55.443 0.204 19149 624 1 3 . 1 1 49 49 GLU CB C 49 30.093 30.093 30.401 -0.308 19149 625 1 3 . 1 1 49 49 GLU H H 49 8.227 8.227 8.348 -0.121 19149 626 1 3 . 1 1 50 50 ILE N N 50 127.078 127.078 123.427 3.651 19149 627 1 3 . 1 1 50 50 ILE HA H 50 3.474 3.474 4.151 -0.677 19149 628 1 3 . 1 1 50 50 ILE C C 50 174.859 174.859 174.539 0.320 19149 629 1 3 . 1 1 50 50 ILE CA C 50 58.105 58.105 58.154 -0.049 19149 630 1 3 . 1 1 50 50 ILE CB C 50 37.464 37.464 38.293 -0.829 19149 631 1 3 . 1 1 50 50 ILE H H 50 8.179 8.179 8.412 -0.233 19149 632 1 3 . 1 1 51 51 PRO HA H 51 4.716 4.716 4.846 -0.130 19149 633 1 3 . 1 1 51 51 PRO C C 51 177.948 177.948 177.245 0.703 19149 634 1 3 . 1 1 51 51 PRO CA C 51 62.364 62.364 62.092 0.272 19149 635 1 3 . 1 1 51 51 PRO CB C 51 32.796 32.796 33.200 -0.404 19149 636 1 3 . 1 1 52 52 GLY N N 52 107.298 107.298 106.279 1.019 19149 637 1 3 . 1 1 52 52 GLY C C 52 174.410 174.410 173.673 0.737 19149 638 1 3 . 1 1 52 52 GLY CA C 52 46.802 46.802 45.327 1.475 19149 639 1 3 . 1 1 52 52 GLY H H 52 8.899 8.899 8.920 -0.021 19149 640 1 3 . 1 1 53 53 THR N N 53 110.516 110.516 110.558 -0.042 19149 641 1 3 . 1 1 53 53 THR HA H 53 5.645 5.645 5.849 -0.204 19149 642 1 3 . 1 1 53 53 THR C C 53 172.781 172.781 173.269 -0.488 19149 643 1 3 . 1 1 53 53 THR CA C 53 59.579 59.579 59.663 -0.083 19149 644 1 3 . 1 1 53 53 THR CB C 53 72.930 72.930 71.344 1.586 19149 645 1 3 . 1 1 53 53 THR H H 53 7.661 7.661 7.693 -0.032 19149 646 1 3 . 1 1 54 54 TRP N N 54 120.834 120.834 127.501 -6.667 19149 647 1 3 . 1 1 54 54 TRP HA H 54 4.460 4.460 4.719 -0.259 19149 648 1 3 . 1 1 54 54 TRP C C 54 174.222 174.222 173.136 1.086 19149 649 1 3 . 1 1 54 54 TRP CA C 54 56.057 56.057 56.764 -0.707 19149 650 1 3 . 1 1 54 54 TRP CB C 54 31.403 31.403 32.048 -0.645 19149 651 1 3 . 1 1 54 54 TRP H H 54 8.161 8.161 8.587 -0.426 19149 652 1 3 . 1 1 55 55 LEU N N 55 130.424 130.424 127.849 2.575 19149 653 1 3 . 1 1 55 55 LEU HA H 55 4.204 4.204 4.240 -0.036 19149 654 1 3 . 1 1 55 55 LEU C C 55 175.177 175.177 175.920 -0.743 19149 655 1 3 . 1 1 55 55 LEU CA C 55 54.828 54.828 55.698 -0.870 19149 656 1 3 . 1 1 55 55 LEU CB C 55 39.921 39.921 41.605 -1.684 19149 657 1 3 . 1 1 55 55 LEU H H 55 7.360 7.360 7.934 -0.574 19149 658 1 3 . 1 1 56 56 CYS N N 56 125.442 125.442 125.522 -0.080 19149 659 1 3 . 1 1 56 56 CYS HA H 56 4.320 4.320 4.761 -0.441 19149 660 1 3 . 1 1 56 56 CYS C C 56 176.862 176.862 175.285 1.577 19149 661 1 3 . 1 1 56 56 CYS CA C 56 60.070 60.070 56.475 3.595 19149 662 1 3 . 1 1 56 56 CYS CB C 56 29.274 29.274 30.083 -0.809 19149 663 1 3 . 1 1 56 56 CYS H H 56 8.110 8.110 8.621 -0.511 19149 664 1 3 . 1 1 57 57 ARG N N 57 120.000 120.000 122.765 -2.765 19149 665 1 3 . 1 1 57 57 ARG HA H 57 4.007 4.007 4.059 -0.052 19149 666 1 3 . 1 1 57 57 ARG C C 57 175.608 175.608 175.940 -0.332 19149 667 1 3 . 1 1 57 57 ARG CA C 57 58.350 58.350 58.715 -0.365 19149 668 1 3 . 1 1 57 57 ARG CB C 57 29.847 29.847 29.663 0.184 19149 669 1 3 . 1 1 57 57 ARG H H 57 8.120 8.120 8.812 -0.692 19149 670 1 3 . 1 1 58 58 ASN N N 58 114.879 114.879 116.600 -1.721 19149 671 1 3 . 1 1 58 58 ASN HA H 58 4.627 4.627 4.714 -0.087 19149 672 1 3 . 1 1 58 58 ASN C C 58 175.982 175.982 175.947 0.035 19149 673 1 3 . 1 1 58 58 ASN CA C 58 52.453 52.453 52.772 -0.319 19149 674 1 3 . 1 1 58 58 ASN CB C 58 37.546 37.546 37.921 -0.375 19149 675 1 3 . 1 1 58 58 ASN H H 58 6.907 6.907 7.654 -0.747 19149 676 1 3 . 1 1 59 59 GLY N N 59 107.258 107.258 108.813 -1.555 19149 677 1 3 . 1 1 59 59 GLY C C 59 173.324 173.324 173.112 0.212 19149 678 1 3 . 1 1 59 59 GLY CA C 59 45.245 45.245 44.822 0.423 19149 679 1 3 . 1 1 59 59 GLY H H 59 8.222 8.222 8.094 0.128 19149 680 1 3 . 1 1 60 60 MET N N 60 118.147 118.147 120.341 -2.194 19149 681 1 3 . 1 1 60 60 MET HA H 60 4.539 4.539 4.702 -0.163 19149 682 1 3 . 1 1 60 60 MET C C 60 174.353 174.353 174.440 -0.087 19149 683 1 3 . 1 1 60 60 MET CA C 60 54.091 54.091 54.503 -0.412 19149 684 1 3 . 1 1 60 60 MET CB C 60 35.007 35.007 35.057 -0.050 19149 685 1 3 . 1 1 60 60 MET H H 60 7.386 7.386 7.866 -0.480 19149 686 1 3 . 1 1 61 61 GLU N N 61 121.830 121.830 125.252 -3.422 19149 687 1 3 . 1 1 61 61 GLU HA H 61 4.519 4.519 4.304 0.215 19149 688 1 3 . 1 1 61 61 GLU C C 61 176.637 176.637 176.667 -0.030 19149 689 1 3 . 1 1 61 61 GLU CA C 61 56.876 56.876 56.188 0.688 19149 690 1 3 . 1 1 61 61 GLU CB C 61 30.584 30.584 29.202 1.382 19149 691 1 3 . 1 1 61 61 GLU H H 61 8.742 8.742 8.818 -0.076 19149 692 1 3 . 1 1 62 62 GLY N N 62 116.891 116.891 113.036 3.855 19149 693 1 3 . 1 1 62 62 GLY C C 62 172.145 172.145 173.716 -1.571 19149 694 1 3 . 1 1 62 62 GLY CA C 62 44.344 44.344 44.956 -0.612 19149 695 1 3 . 1 1 62 62 GLY H H 62 9.783 9.783 8.606 1.177 19149 696 1 3 . 1 1 63 63 THR N N 63 116.976 116.976 117.887 -0.911 19149 697 1 3 . 1 1 63 63 THR HA H 63 5.060 5.060 5.479 -0.419 19149 698 1 3 . 1 1 63 63 THR C C 63 174.709 174.709 174.539 0.170 19149 699 1 3 . 1 1 63 63 THR CA C 63 62.036 62.036 61.521 0.515 19149 700 1 3 . 1 1 63 63 THR CB C 63 71.128 71.128 71.109 0.019 19149 701 1 3 . 1 1 63 63 THR H H 63 8.811 8.811 8.458 0.353 19149 702 1 3 . 1 1 64 64 LEU N N 64 129.784 129.784 130.136 -0.352 19149 703 1 3 . 1 1 64 64 LEU HA H 64 3.749 3.749 4.667 -0.918 19149 704 1 3 . 1 1 64 64 LEU C C 64 176.581 176.581 176.354 0.227 19149 705 1 3 . 1 1 64 64 LEU CA C 64 56.303 56.303 55.098 1.205 19149 706 1 3 . 1 1 64 64 LEU CB C 64 43.198 43.198 42.596 0.602 19149 707 1 3 . 1 1 64 64 LEU H H 64 8.178 8.178 8.963 -0.785 19149 708 1 3 . 1 1 65 65 ILE N N 65 127.682 127.682 127.481 0.201 19149 709 1 3 . 1 1 65 65 ILE HA H 65 4.102 4.102 3.917 0.185 19149 710 1 3 . 1 1 65 65 ILE C C 65 175.720 175.720 175.495 0.225 19149 711 1 3 . 1 1 65 65 ILE CA C 65 61.381 61.381 62.443 -1.062 19149 712 1 3 . 1 1 65 65 ILE CB C 65 38.611 38.611 36.371 2.240 19149 713 1 3 . 1 1 65 65 ILE H H 65 8.713 8.713 7.849 0.864 19149 714 1 3 . 1 1 66 66 GLU N N 66 126.115 126.115 123.365 2.750 19149 715 1 3 . 1 1 66 66 GLU HA H 66 4.312 4.312 4.059 0.253 19149 716 1 3 . 1 1 66 66 GLU C C 66 176.562 176.562 175.261 1.301 19149 717 1 3 . 1 1 66 66 GLU CA C 66 56.630 56.630 57.091 -0.461 19149 718 1 3 . 1 1 66 66 GLU CB C 66 31.076 31.076 27.459 3.617 19149 719 1 3 . 1 1 66 66 GLU H H 66 8.392 8.392 8.573 -0.181 19149 720 1 3 . 1 1 67 67 GLY N N 67 109.600 109.600 108.149 1.451 19149 721 1 3 . 1 1 67 67 GLY C C 67 173.474 173.474 172.900 0.574 19149 722 1 3 . 1 1 67 67 GLY CA C 67 45.245 45.245 44.135 1.110 19149 723 1 3 . 1 1 67 67 GLY H H 67 8.330 8.330 8.055 0.275 19149 724 1 3 . 1 1 68 68 ASP N N 68 120.192 120.192 120.868 -0.676 19149 725 1 3 . 1 1 68 68 ASP HA H 68 4.627 4.627 4.811 -0.184 19149 726 1 3 . 1 1 68 68 ASP C C 68 175.926 175.926 175.738 0.188 19149 727 1 3 . 1 1 68 68 ASP CA C 68 54.091 54.091 53.032 1.060 19149 728 1 3 . 1 1 68 68 ASP CB C 68 41.396 41.396 41.241 0.155 19149 729 1 3 . 1 1 68 68 ASP H H 68 8.236 8.236 8.480 -0.244 19149 730 1 3 . 1 1 69 69 LEU N N 69 123.225 123.225 127.842 -4.617 19149 731 1 3 . 1 1 69 69 LEU HA H 69 4.608 4.608 4.719 -0.111 19149 732 1 3 . 1 1 69 69 LEU C C 69 175.233 175.233 175.088 0.145 19149 733 1 3 . 1 1 69 69 LEU CA C 69 53.190 53.190 52.423 0.767 19149 734 1 3 . 1 1 69 69 LEU CB C 69 41.887 41.887 42.438 -0.551 19149 735 1 3 . 1 1 69 69 LEU H H 69 8.130 8.130 8.396 -0.266 19149 736 1 3 . 1 1 70 70 PRO HA H 70 4.421 4.421 4.471 -0.050 19149 737 1 3 . 1 1 70 70 PRO CA C 70 63.224 63.224 62.965 0.259 19149 738 1 3 . 1 1 70 70 PRO CB C 70 32.189 32.189 32.172 0.017 19149 739 1 4 . 1 1 27 27 ARG N N 27 120.668 120.668 117.843 2.825 19149 740 1 4 . 1 1 27 27 ARG HA H 27 4.578 4.578 4.037 0.541 19149 741 1 4 . 1 1 27 27 ARG C C 27 176.132 176.132 174.906 1.226 19149 742 1 4 . 1 1 27 27 ARG CA C 27 55.893 55.893 56.986 -1.093 19149 743 1 4 . 1 1 27 27 ARG CB C 27 31.813 31.813 28.161 3.652 19149 744 1 4 . 1 1 27 27 ARG H H 27 8.320 8.320 8.655 -0.335 19149 745 1 4 . 1 1 28 28 GLN N N 28 119.898 119.898 115.798 4.100 19149 746 1 4 . 1 1 28 28 GLN HA H 28 4.608 4.608 4.582 0.026 19149 747 1 4 . 1 1 28 28 GLN C C 28 174.372 174.372 174.436 -0.064 19149 748 1 4 . 1 1 28 28 GLN CA C 28 55.320 55.320 54.796 0.524 19149 749 1 4 . 1 1 28 28 GLN CB C 28 31.403 31.403 30.211 1.192 19149 750 1 4 . 1 1 28 28 GLN H H 28 8.756 8.756 8.027 0.729 19149 751 1 4 . 1 1 29 29 ILE N N 29 122.828 122.828 121.978 0.850 19149 752 1 4 . 1 1 29 29 ILE HA H 29 4.598 4.598 4.272 0.326 19149 753 1 4 . 1 1 29 29 ILE C C 29 175.158 175.158 175.749 -0.591 19149 754 1 4 . 1 1 29 29 ILE CA C 29 59.825 59.825 60.449 -0.624 19149 755 1 4 . 1 1 29 29 ILE CB C 29 38.857 38.857 38.546 0.311 19149 756 1 4 . 1 1 29 29 ILE H H 29 8.433 8.433 8.489 -0.056 19149 757 1 4 . 1 1 30 30 ALA N N 30 131.643 131.643 131.133 0.510 19149 758 1 4 . 1 1 30 30 ALA HA H 30 4.578 4.578 4.522 0.056 19149 759 1 4 . 1 1 30 30 ALA C C 30 174.728 174.728 175.334 -0.606 19149 760 1 4 . 1 1 30 30 ALA CA C 30 50.487 50.487 50.778 -0.291 19149 761 1 4 . 1 1 30 30 ALA CB C 30 23.049 23.049 21.211 1.838 19149 762 1 4 . 1 1 30 30 ALA H H 30 8.801 8.801 8.689 0.112 19149 763 1 4 . 1 1 31 31 ARG N N 31 120.391 120.391 122.641 -2.250 19149 764 1 4 . 1 1 31 31 ARG HA H 31 5.450 5.450 5.448 0.002 19149 765 1 4 . 1 1 31 31 ARG C C 31 176.076 176.076 175.116 0.960 19149 766 1 4 . 1 1 31 31 ARG CA C 31 54.400 54.400 54.830 -0.429 19149 767 1 4 . 1 1 31 31 ARG CB C 31 33.400 33.400 32.629 0.771 19149 768 1 4 . 1 1 31 31 ARG H H 31 8.285 8.285 8.204 0.081 19149 769 1 4 . 1 1 32 32 TYR N N 32 119.947 119.947 127.216 -7.269 19149 770 1 4 . 1 1 32 32 TYR HA H 32 5.011 5.011 5.017 -0.006 19149 771 1 4 . 1 1 32 32 TYR C C 32 174.803 174.803 174.609 0.194 19149 772 1 4 . 1 1 32 32 TYR CA C 32 57.286 57.286 56.996 0.290 19149 773 1 4 . 1 1 32 32 TYR CB C 32 44.099 44.099 40.066 4.033 19149 774 1 4 . 1 1 32 32 TYR H H 32 8.895 8.895 9.226 -0.331 19149 775 1 4 . 1 1 33 33 ARG N N 33 121.071 121.071 126.586 -5.515 19149 776 1 4 . 1 1 33 33 ARG HA H 33 5.818 5.818 5.871 -0.053 19149 777 1 4 . 1 1 33 33 ARG C C 33 177.873 177.873 177.161 0.712 19149 778 1 4 . 1 1 33 33 ARG CA C 33 54.091 54.091 54.486 -0.395 19149 779 1 4 . 1 1 33 33 ARG CB C 33 34.188 34.188 32.970 1.218 19149 780 1 4 . 1 1 33 33 ARG H H 33 8.918 8.918 9.372 -0.454 19149 781 1 4 . 1 1 34 34 THR N N 34 119.578 119.578 118.715 0.863 19149 782 1 4 . 1 1 34 34 THR HA H 34 5.060 5.060 4.650 0.410 19149 783 1 4 . 1 1 34 34 THR C C 34 177.274 177.274 175.956 1.318 19149 784 1 4 . 1 1 34 34 THR CA C 34 61.545 61.545 60.513 1.032 19149 785 1 4 . 1 1 34 34 THR CB C 34 70.718 70.718 70.693 0.025 19149 786 1 4 . 1 1 34 34 THR H H 34 9.583 9.583 9.057 0.526 19149 787 1 4 . 1 1 35 35 ASP N N 35 120.797 120.797 120.779 0.018 19149 788 1 4 . 1 1 35 35 ASP HA H 35 4.509 4.509 4.436 0.073 19149 789 1 4 . 1 1 35 35 ASP C C 35 176.188 176.188 177.173 -0.985 19149 790 1 4 . 1 1 35 35 ASP CA C 35 57.777 57.777 56.771 1.006 19149 791 1 4 . 1 1 35 35 ASP CB C 35 40.741 40.741 40.672 0.069 19149 792 1 4 . 1 1 35 35 ASP H H 35 9.601 9.601 8.572 1.029 19149 793 1 4 . 1 1 36 36 ASN N N 36 114.714 114.714 116.895 -2.181 19149 794 1 4 . 1 1 36 36 ASN HA H 36 4.736 4.736 4.731 0.005 19149 795 1 4 . 1 1 36 36 ASN C C 36 176.188 176.188 176.027 0.161 19149 796 1 4 . 1 1 36 36 ASN CA C 36 52.617 52.617 53.089 -0.472 19149 797 1 4 . 1 1 36 36 ASN CB C 36 37.792 37.792 38.981 -1.189 19149 798 1 4 . 1 1 36 36 ASN H H 36 7.824 7.824 7.807 0.017 19149 799 1 4 . 1 1 37 37 GLY N N 37 108.692 108.692 107.748 0.944 19149 800 1 4 . 1 1 37 37 GLY C C 37 174.428 174.428 174.312 0.116 19149 801 1 4 . 1 1 37 37 GLY CA C 37 45.082 45.082 45.169 -0.087 19149 802 1 4 . 1 1 37 37 GLY H H 37 8.520 8.520 8.080 0.440 19149 803 1 4 . 1 1 38 38 GLU N N 38 120.618 120.618 120.695 -0.077 19149 804 1 4 . 1 1 38 38 GLU HA H 38 4.135 4.135 4.210 -0.075 19149 805 1 4 . 1 1 38 38 GLU C C 38 174.204 174.204 175.918 -1.714 19149 806 1 4 . 1 1 38 38 GLU CA C 38 58.023 58.023 56.885 1.138 19149 807 1 4 . 1 1 38 38 GLU CB C 38 31.239 31.239 30.414 0.825 19149 808 1 4 . 1 1 38 38 GLU H H 38 7.159 7.159 7.772 -0.613 19149 809 1 4 . 1 1 39 39 GLU N N 39 118.314 118.314 122.789 -4.475 19149 810 1 4 . 1 1 39 39 GLU HA H 39 5.592 5.592 4.978 0.614 19149 811 1 4 . 1 1 39 39 GLU C C 39 176.020 176.020 175.773 0.247 19149 812 1 4 . 1 1 39 39 GLU CA C 39 54.337 54.337 55.230 -0.893 19149 813 1 4 . 1 1 39 39 GLU CB C 39 33.451 33.451 31.587 1.864 19149 814 1 4 . 1 1 39 39 GLU H H 39 7.904 7.904 8.491 -0.587 19149 815 1 4 . 1 1 40 40 PHE N N 40 119.679 119.679 123.791 -4.112 19149 816 1 4 . 1 1 40 40 PHE HA H 40 4.736 4.736 4.825 -0.089 19149 817 1 4 . 1 1 40 40 PHE C C 40 174.410 174.410 174.838 -0.428 19149 818 1 4 . 1 1 40 40 PHE CA C 40 57.695 57.695 56.762 0.933 19149 819 1 4 . 1 1 40 40 PHE CB C 40 43.280 43.280 41.577 1.703 19149 820 1 4 . 1 1 40 40 PHE H H 40 9.181 9.181 9.205 -0.024 19149 821 1 4 . 1 1 41 41 GLU N N 41 121.828 121.828 124.815 -2.987 19149 822 1 4 . 1 1 41 41 GLU HA H 41 5.080 5.080 5.493 -0.413 19149 823 1 4 . 1 1 41 41 GLU C C 41 176.525 176.525 176.011 0.514 19149 824 1 4 . 1 1 41 41 GLU CA C 41 55.565 55.565 55.056 0.508 19149 825 1 4 . 1 1 41 41 GLU CB C 41 31.403 31.403 30.999 0.404 19149 826 1 4 . 1 1 41 41 GLU H H 41 8.741 8.741 8.852 -0.111 19149 827 1 4 . 1 1 42 42 VAL N N 42 127.341 127.341 117.757 9.584 19149 828 1 4 . 1 1 42 42 VAL HA H 42 4.495 4.495 4.497 -0.002 19149 829 1 4 . 1 1 42 42 VAL C C 42 172.949 172.949 173.196 -0.247 19149 830 1 4 . 1 1 42 42 VAL CA C 42 59.415 59.415 58.687 0.728 19149 831 1 4 . 1 1 42 42 VAL CB C 42 35.990 35.990 33.632 2.358 19149 832 1 4 . 1 1 42 42 VAL H H 42 9.393 9.393 8.865 0.528 19149 833 1 4 . 1 1 43 43 PRO HA H 43 5.179 5.179 4.650 0.529 19149 834 1 4 . 1 1 43 43 PRO CA C 43 61.545 61.545 62.601 -1.056 19149 835 1 4 . 1 1 43 43 PRO CB C 43 26.637 26.637 31.188 -4.551 19149 836 1 4 . 1 1 44 44 PHE N N 44 119.921 119.921 124.489 -4.568 19149 837 1 4 . 1 1 44 44 PHE HA H 44 4.568 4.568 4.438 0.130 19149 838 1 4 . 1 1 44 44 PHE C C 44 175.046 175.046 175.960 -0.914 19149 839 1 4 . 1 1 44 44 PHE CA C 44 57.531 57.531 57.725 -0.194 19149 840 1 4 . 1 1 44 44 PHE CB C 44 44.017 44.017 40.169 3.848 19149 841 1 4 . 1 1 44 44 PHE H H 44 8.901 8.901 7.921 0.980 19149 842 1 4 . 1 1 45 45 ALA N N 45 123.051 123.051 124.288 -1.237 19149 843 1 4 . 1 1 45 45 ALA HA H 45 4.460 4.460 4.441 0.019 19149 844 1 4 . 1 1 45 45 ALA C C 45 178.378 178.378 178.448 -0.070 19149 845 1 4 . 1 1 45 45 ALA CA C 45 52.207 52.207 51.742 0.465 19149 846 1 4 . 1 1 45 45 ALA CB C 45 19.609 19.609 19.728 -0.119 19149 847 1 4 . 1 1 45 45 ALA H H 45 8.711 8.711 8.309 0.402 19149 848 1 4 . 1 1 46 46 ASP N N 46 119.600 119.600 121.512 -1.912 19149 849 1 4 . 1 1 46 46 ASP HA H 46 4.312 4.312 4.438 -0.126 19149 850 1 4 . 1 1 46 46 ASP C C 46 175.945 175.945 175.785 0.160 19149 851 1 4 . 1 1 46 46 ASP CA C 46 56.712 56.712 54.927 1.785 19149 852 1 4 . 1 1 46 46 ASP CB C 46 40.904 40.904 40.712 0.191 19149 853 1 4 . 1 1 46 46 ASP H H 46 8.592 8.592 8.801 -0.209 19149 854 1 4 . 1 1 47 47 ASP N N 47 115.496 115.496 119.469 -3.973 19149 855 1 4 . 1 1 47 47 ASP HA H 47 4.558 4.558 4.573 -0.015 19149 856 1 4 . 1 1 47 47 ASP C C 47 175.776 175.776 175.566 0.210 19149 857 1 4 . 1 1 47 47 ASP CA C 47 53.272 53.272 54.369 -1.097 19149 858 1 4 . 1 1 47 47 ASP CB C 47 40.167 40.167 40.844 -0.678 19149 859 1 4 . 1 1 47 47 ASP H H 47 8.256 8.256 8.287 -0.031 19149 860 1 4 . 1 1 48 48 ALA N N 48 122.516 122.516 122.780 -0.264 19149 861 1 4 . 1 1 48 48 ALA HA H 48 4.368 4.368 4.488 -0.120 19149 862 1 4 . 1 1 48 48 ALA C C 48 177.405 177.405 176.180 1.225 19149 863 1 4 . 1 1 48 48 ALA CA C 48 52.207 52.207 51.477 0.730 19149 864 1 4 . 1 1 48 48 ALA CB C 48 20.510 20.510 20.686 -0.176 19149 865 1 4 . 1 1 48 48 ALA H H 48 7.394 7.394 7.440 -0.046 19149 866 1 4 . 1 1 49 49 GLU N N 49 120.796 120.796 118.824 1.972 19149 867 1 4 . 1 1 49 49 GLU HA H 49 4.211 4.211 4.257 -0.046 19149 868 1 4 . 1 1 49 49 GLU C C 49 175.533 175.533 175.542 -0.009 19149 869 1 4 . 1 1 49 49 GLU CA C 49 55.647 55.647 55.930 -0.283 19149 870 1 4 . 1 1 49 49 GLU CB C 49 30.093 30.093 30.462 -0.369 19149 871 1 4 . 1 1 49 49 GLU H H 49 8.227 8.227 8.321 -0.094 19149 872 1 4 . 1 1 50 50 ILE N N 50 127.078 127.078 123.396 3.682 19149 873 1 4 . 1 1 50 50 ILE HA H 50 3.474 3.474 4.225 -0.751 19149 874 1 4 . 1 1 50 50 ILE C C 50 174.859 174.859 173.920 0.939 19149 875 1 4 . 1 1 50 50 ILE CA C 50 58.105 58.105 57.125 0.980 19149 876 1 4 . 1 1 50 50 ILE CB C 50 37.464 37.464 37.428 0.036 19149 877 1 4 . 1 1 50 50 ILE H H 50 8.179 8.179 8.262 -0.083 19149 878 1 4 . 1 1 51 51 PRO HA H 51 4.716 4.716 4.857 -0.141 19149 879 1 4 . 1 1 51 51 PRO C C 51 177.948 177.948 177.591 0.357 19149 880 1 4 . 1 1 51 51 PRO CA C 51 62.364 62.364 62.016 0.348 19149 881 1 4 . 1 1 51 51 PRO CB C 51 32.796 32.796 33.363 -0.567 19149 882 1 4 . 1 1 52 52 GLY N N 52 107.298 107.298 105.952 1.346 19149 883 1 4 . 1 1 52 52 GLY C C 52 174.410 174.410 173.089 1.321 19149 884 1 4 . 1 1 52 52 GLY CA C 52 46.802 46.802 44.885 1.917 19149 885 1 4 . 1 1 52 52 GLY H H 52 8.899 8.899 8.825 0.074 19149 886 1 4 . 1 1 53 53 THR N N 53 110.516 110.516 109.528 0.988 19149 887 1 4 . 1 1 53 53 THR HA H 53 5.645 5.645 5.743 -0.098 19149 888 1 4 . 1 1 53 53 THR C C 53 172.781 172.781 173.217 -0.436 19149 889 1 4 . 1 1 53 53 THR CA C 53 59.579 59.579 59.380 0.198 19149 890 1 4 . 1 1 53 53 THR CB C 53 72.930 72.930 71.821 1.109 19149 891 1 4 . 1 1 53 53 THR H H 53 7.661 7.661 7.584 0.077 19149 892 1 4 . 1 1 54 54 TRP N N 54 120.834 120.834 127.027 -6.193 19149 893 1 4 . 1 1 54 54 TRP HA H 54 4.460 4.460 4.644 -0.184 19149 894 1 4 . 1 1 54 54 TRP C C 54 174.222 174.222 173.321 0.901 19149 895 1 4 . 1 1 54 54 TRP CA C 54 56.057 56.057 56.532 -0.475 19149 896 1 4 . 1 1 54 54 TRP CB C 54 31.403 31.403 32.648 -1.245 19149 897 1 4 . 1 1 54 54 TRP H H 54 8.161 8.161 8.488 -0.327 19149 898 1 4 . 1 1 55 55 LEU N N 55 130.424 130.424 127.429 2.995 19149 899 1 4 . 1 1 55 55 LEU HA H 55 4.204 4.204 4.070 0.134 19149 900 1 4 . 1 1 55 55 LEU C C 55 175.177 175.177 175.591 -0.414 19149 901 1 4 . 1 1 55 55 LEU CA C 55 54.828 54.828 55.827 -0.999 19149 902 1 4 . 1 1 55 55 LEU CB C 55 39.921 39.921 41.560 -1.639 19149 903 1 4 . 1 1 55 55 LEU H H 55 7.360 7.360 7.956 -0.596 19149 904 1 4 . 1 1 56 56 CYS N N 56 125.442 125.442 126.579 -1.137 19149 905 1 4 . 1 1 56 56 CYS HA H 56 4.320 4.320 4.574 -0.254 19149 906 1 4 . 1 1 56 56 CYS C C 56 176.862 176.862 175.759 1.103 19149 907 1 4 . 1 1 56 56 CYS CA C 56 60.070 60.070 56.367 3.703 19149 908 1 4 . 1 1 56 56 CYS CB C 56 29.274 29.274 29.850 -0.576 19149 909 1 4 . 1 1 56 56 CYS H H 56 8.110 8.110 8.422 -0.312 19149 910 1 4 . 1 1 57 57 ARG N N 57 120.000 120.000 123.374 -3.374 19149 911 1 4 . 1 1 57 57 ARG HA H 57 4.007 4.007 4.106 -0.099 19149 912 1 4 . 1 1 57 57 ARG C C 57 175.608 175.608 176.614 -1.006 19149 913 1 4 . 1 1 57 57 ARG CA C 57 58.350 58.350 58.361 -0.011 19149 914 1 4 . 1 1 57 57 ARG CB C 57 29.847 29.847 29.505 0.342 19149 915 1 4 . 1 1 57 57 ARG H H 57 8.120 8.120 8.878 -0.758 19149 916 1 4 . 1 1 58 58 ASN N N 58 114.879 114.879 115.654 -0.775 19149 917 1 4 . 1 1 58 58 ASN HA H 58 4.627 4.627 4.724 -0.098 19149 918 1 4 . 1 1 58 58 ASN C C 58 175.982 175.982 176.038 -0.056 19149 919 1 4 . 1 1 58 58 ASN CA C 58 52.453 52.453 52.979 -0.526 19149 920 1 4 . 1 1 58 58 ASN CB C 58 37.546 37.546 38.143 -0.597 19149 921 1 4 . 1 1 58 58 ASN H H 58 6.907 6.907 7.729 -0.822 19149 922 1 4 . 1 1 59 59 GLY N N 59 107.258 107.258 108.555 -1.297 19149 923 1 4 . 1 1 59 59 GLY C C 59 173.324 173.324 173.132 0.192 19149 924 1 4 . 1 1 59 59 GLY CA C 59 45.245 45.245 44.807 0.438 19149 925 1 4 . 1 1 59 59 GLY H H 59 8.222 8.222 8.168 0.054 19149 926 1 4 . 1 1 60 60 MET N N 60 118.147 118.147 120.455 -2.308 19149 927 1 4 . 1 1 60 60 MET HA H 60 4.539 4.539 4.706 -0.167 19149 928 1 4 . 1 1 60 60 MET C C 60 174.353 174.353 174.445 -0.092 19149 929 1 4 . 1 1 60 60 MET CA C 60 54.091 54.091 54.472 -0.381 19149 930 1 4 . 1 1 60 60 MET CB C 60 35.007 35.007 35.060 -0.053 19149 931 1 4 . 1 1 60 60 MET H H 60 7.386 7.386 7.833 -0.447 19149 932 1 4 . 1 1 61 61 GLU N N 61 121.830 121.830 124.677 -2.847 19149 933 1 4 . 1 1 61 61 GLU HA H 61 4.519 4.519 4.467 0.052 19149 934 1 4 . 1 1 61 61 GLU C C 61 176.637 176.637 176.818 -0.181 19149 935 1 4 . 1 1 61 61 GLU CA C 61 56.876 56.876 55.922 0.954 19149 936 1 4 . 1 1 61 61 GLU CB C 61 30.584 30.584 29.398 1.186 19149 937 1 4 . 1 1 61 61 GLU H H 61 8.742 8.742 8.782 -0.040 19149 938 1 4 . 1 1 62 62 GLY N N 62 116.891 116.891 112.763 4.128 19149 939 1 4 . 1 1 62 62 GLY C C 62 172.145 172.145 173.753 -1.608 19149 940 1 4 . 1 1 62 62 GLY CA C 62 44.344 44.344 44.963 -0.619 19149 941 1 4 . 1 1 62 62 GLY H H 62 9.783 9.783 8.258 1.525 19149 942 1 4 . 1 1 63 63 THR N N 63 116.976 116.976 120.701 -3.725 19149 943 1 4 . 1 1 63 63 THR HA H 63 5.060 5.060 5.300 -0.240 19149 944 1 4 . 1 1 63 63 THR C C 63 174.709 174.709 174.769 -0.060 19149 945 1 4 . 1 1 63 63 THR CA C 63 62.036 62.036 61.428 0.608 19149 946 1 4 . 1 1 63 63 THR CB C 63 71.128 71.128 69.993 1.135 19149 947 1 4 . 1 1 63 63 THR H H 63 8.811 8.811 8.927 -0.116 19149 948 1 4 . 1 1 64 64 LEU N N 64 129.784 129.784 130.126 -0.342 19149 949 1 4 . 1 1 64 64 LEU HA H 64 3.749 3.749 4.796 -1.047 19149 950 1 4 . 1 1 64 64 LEU C C 64 176.581 176.581 176.360 0.221 19149 951 1 4 . 1 1 64 64 LEU CA C 64 56.303 56.303 54.715 1.588 19149 952 1 4 . 1 1 64 64 LEU CB C 64 43.198 43.198 42.627 0.571 19149 953 1 4 . 1 1 64 64 LEU H H 64 8.178 8.178 8.941 -0.763 19149 954 1 4 . 1 1 65 65 ILE N N 65 127.682 127.682 127.857 -0.175 19149 955 1 4 . 1 1 65 65 ILE HA H 65 4.102 4.102 3.993 0.109 19149 956 1 4 . 1 1 65 65 ILE C C 65 175.720 175.720 175.233 0.487 19149 957 1 4 . 1 1 65 65 ILE CA C 65 61.381 61.381 61.616 -0.235 19149 958 1 4 . 1 1 65 65 ILE CB C 65 38.611 38.611 36.456 2.155 19149 959 1 4 . 1 1 65 65 ILE H H 65 8.713 8.713 8.072 0.641 19149 960 1 4 . 1 1 66 66 GLU N N 66 126.115 126.115 123.485 2.630 19149 961 1 4 . 1 1 66 66 GLU HA H 66 4.312 4.312 4.056 0.256 19149 962 1 4 . 1 1 66 66 GLU C C 66 176.562 176.562 175.211 1.351 19149 963 1 4 . 1 1 66 66 GLU CA C 66 56.630 56.630 57.152 -0.522 19149 964 1 4 . 1 1 66 66 GLU CB C 66 31.076 31.076 28.117 2.959 19149 965 1 4 . 1 1 66 66 GLU H H 66 8.392 8.392 8.458 -0.066 19149 966 1 4 . 1 1 67 67 GLY N N 67 109.600 109.600 110.398 -0.798 19149 967 1 4 . 1 1 67 67 GLY C C 67 173.474 173.474 173.371 0.103 19149 968 1 4 . 1 1 67 67 GLY CA C 67 45.245 45.245 44.618 0.627 19149 969 1 4 . 1 1 67 67 GLY H H 67 8.330 8.330 8.106 0.224 19149 970 1 4 . 1 1 68 68 ASP N N 68 120.192 120.192 120.577 -0.385 19149 971 1 4 . 1 1 68 68 ASP HA H 68 4.627 4.627 4.620 0.007 19149 972 1 4 . 1 1 68 68 ASP C C 68 175.926 175.926 176.605 -0.679 19149 973 1 4 . 1 1 68 68 ASP CA C 68 54.091 54.091 55.073 -0.982 19149 974 1 4 . 1 1 68 68 ASP CB C 68 41.396 41.396 42.358 -0.962 19149 975 1 4 . 1 1 68 68 ASP H H 68 8.236 8.236 8.473 -0.237 19149 976 1 4 . 1 1 69 69 LEU N N 69 123.225 123.225 118.996 4.229 19149 977 1 4 . 1 1 69 69 LEU HA H 69 4.608 4.608 4.798 -0.190 19149 978 1 4 . 1 1 69 69 LEU C C 69 175.233 175.233 175.026 0.207 19149 979 1 4 . 1 1 69 69 LEU CA C 69 53.190 53.190 52.387 0.803 19149 980 1 4 . 1 1 69 69 LEU CB C 69 41.887 41.887 41.745 0.142 19149 981 1 4 . 1 1 69 69 LEU H H 69 8.130 8.130 8.081 0.049 19149 982 1 4 . 1 1 70 70 PRO HA H 70 4.421 4.421 4.540 -0.119 19149 983 1 4 . 1 1 70 70 PRO CA C 70 63.224 63.224 63.045 0.179 19149 984 1 4 . 1 1 70 70 PRO CB C 70 32.189 32.189 32.063 0.126 19149 985 1 5 . 1 1 27 27 ARG N N 27 120.668 120.668 120.651 0.017 19149 986 1 5 . 1 1 27 27 ARG HA H 27 4.578 4.578 3.919 0.659 19149 987 1 5 . 1 1 27 27 ARG C C 27 176.132 176.132 174.855 1.277 19149 988 1 5 . 1 1 27 27 ARG CA C 27 55.893 55.893 57.019 -1.126 19149 989 1 5 . 1 1 27 27 ARG CB C 27 31.813 31.813 29.123 2.690 19149 990 1 5 . 1 1 27 27 ARG H H 27 8.320 8.320 9.172 -0.852 19149 991 1 5 . 1 1 28 28 GLN N N 28 119.898 119.898 120.202 -0.304 19149 992 1 5 . 1 1 28 28 GLN HA H 28 4.608 4.608 4.700 -0.092 19149 993 1 5 . 1 1 28 28 GLN C C 28 174.372 174.372 174.426 -0.054 19149 994 1 5 . 1 1 28 28 GLN CA C 28 55.320 55.320 54.268 1.052 19149 995 1 5 . 1 1 28 28 GLN CB C 28 31.403 31.403 31.059 0.344 19149 996 1 5 . 1 1 28 28 GLN H H 28 8.756 8.756 7.985 0.771 19149 997 1 5 . 1 1 29 29 ILE N N 29 122.828 122.828 124.205 -1.377 19149 998 1 5 . 1 1 29 29 ILE HA H 29 4.598 4.598 4.457 0.141 19149 999 1 5 . 1 1 29 29 ILE C C 29 175.158 175.158 175.359 -0.201 19149 1000 1 5 . 1 1 29 29 ILE CA C 29 59.825 59.825 60.390 -0.565 19149 1001 1 5 . 1 1 29 29 ILE CB C 29 38.857 38.857 38.464 0.393 19149 1002 1 5 . 1 1 29 29 ILE H H 29 8.433 8.433 8.792 -0.359 19149 1003 1 5 . 1 1 30 30 ALA N N 30 131.643 131.643 129.927 1.716 19149 1004 1 5 . 1 1 30 30 ALA HA H 30 4.578 4.578 4.558 0.020 19149 1005 1 5 . 1 1 30 30 ALA C C 30 174.728 174.728 175.286 -0.558 19149 1006 1 5 . 1 1 30 30 ALA CA C 30 50.487 50.487 50.856 -0.369 19149 1007 1 5 . 1 1 30 30 ALA CB C 30 23.049 23.049 20.728 2.321 19149 1008 1 5 . 1 1 30 30 ALA H H 30 8.801 8.801 8.770 0.031 19149 1009 1 5 . 1 1 31 31 ARG N N 31 120.391 120.391 120.719 -0.328 19149 1010 1 5 . 1 1 31 31 ARG HA H 31 5.450 5.450 5.583 -0.133 19149 1011 1 5 . 1 1 31 31 ARG C C 31 176.076 176.076 175.310 0.766 19149 1012 1 5 . 1 1 31 31 ARG CA C 31 54.400 54.400 54.750 -0.350 19149 1013 1 5 . 1 1 31 31 ARG CB C 31 33.400 33.400 32.280 1.120 19149 1014 1 5 . 1 1 31 31 ARG H H 31 8.285 8.285 8.066 0.219 19149 1015 1 5 . 1 1 32 32 TYR N N 32 119.947 119.947 123.814 -3.867 19149 1016 1 5 . 1 1 32 32 TYR HA H 32 5.011 5.011 4.908 0.103 19149 1017 1 5 . 1 1 32 32 TYR C C 32 174.803 174.803 174.446 0.357 19149 1018 1 5 . 1 1 32 32 TYR CA C 32 57.286 57.286 57.693 -0.407 19149 1019 1 5 . 1 1 32 32 TYR CB C 32 44.099 44.099 40.246 3.853 19149 1020 1 5 . 1 1 32 32 TYR H H 32 8.895 8.895 8.821 0.074 19149 1021 1 5 . 1 1 33 33 ARG N N 33 121.071 121.071 126.526 -5.455 19149 1022 1 5 . 1 1 33 33 ARG HA H 33 5.818 5.818 5.407 0.411 19149 1023 1 5 . 1 1 33 33 ARG C C 33 177.873 177.873 176.837 1.036 19149 1024 1 5 . 1 1 33 33 ARG CA C 33 54.091 54.091 54.865 -0.774 19149 1025 1 5 . 1 1 33 33 ARG CB C 33 34.188 34.188 32.833 1.355 19149 1026 1 5 . 1 1 33 33 ARG H H 33 8.918 8.918 9.358 -0.440 19149 1027 1 5 . 1 1 34 34 THR N N 34 119.578 119.578 120.678 -1.100 19149 1028 1 5 . 1 1 34 34 THR HA H 34 5.060 5.060 4.646 0.414 19149 1029 1 5 . 1 1 34 34 THR C C 34 177.274 177.274 175.695 1.579 19149 1030 1 5 . 1 1 34 34 THR CA C 34 61.545 61.545 60.230 1.315 19149 1031 1 5 . 1 1 34 34 THR CB C 34 70.718 70.718 69.942 0.776 19149 1032 1 5 . 1 1 34 34 THR H H 34 9.583 9.583 9.152 0.431 19149 1033 1 5 . 1 1 35 35 ASP N N 35 120.797 120.797 119.385 1.412 19149 1034 1 5 . 1 1 35 35 ASP HA H 35 4.509 4.509 4.491 0.018 19149 1035 1 5 . 1 1 35 35 ASP C C 35 176.188 176.188 176.693 -0.505 19149 1036 1 5 . 1 1 35 35 ASP CA C 35 57.777 57.777 56.800 0.977 19149 1037 1 5 . 1 1 35 35 ASP CB C 35 40.741 40.741 40.873 -0.133 19149 1038 1 5 . 1 1 35 35 ASP H H 35 9.601 9.601 8.625 0.976 19149 1039 1 5 . 1 1 36 36 ASN N N 36 114.714 114.714 116.082 -1.368 19149 1040 1 5 . 1 1 36 36 ASN HA H 36 4.736 4.736 4.761 -0.025 19149 1041 1 5 . 1 1 36 36 ASN C C 36 176.188 176.188 176.052 0.136 19149 1042 1 5 . 1 1 36 36 ASN CA C 36 52.617 52.617 53.308 -0.691 19149 1043 1 5 . 1 1 36 36 ASN CB C 36 37.792 37.792 39.143 -1.351 19149 1044 1 5 . 1 1 36 36 ASN H H 36 7.824 7.824 8.093 -0.269 19149 1045 1 5 . 1 1 37 37 GLY N N 37 108.692 108.692 107.870 0.822 19149 1046 1 5 . 1 1 37 37 GLY C C 37 174.428 174.428 173.601 0.827 19149 1047 1 5 . 1 1 37 37 GLY CA C 37 45.082 45.082 45.138 -0.056 19149 1048 1 5 . 1 1 37 37 GLY H H 37 8.520 8.520 8.204 0.316 19149 1049 1 5 . 1 1 38 38 GLU N N 38 120.618 120.618 121.017 -0.399 19149 1050 1 5 . 1 1 38 38 GLU HA H 38 4.135 4.135 4.299 -0.164 19149 1051 1 5 . 1 1 38 38 GLU C C 38 174.204 174.204 175.867 -1.663 19149 1052 1 5 . 1 1 38 38 GLU CA C 38 58.023 58.023 55.278 2.745 19149 1053 1 5 . 1 1 38 38 GLU CB C 38 31.239 31.239 29.450 1.789 19149 1054 1 5 . 1 1 38 38 GLU H H 38 7.159 7.159 8.086 -0.927 19149 1055 1 5 . 1 1 39 39 GLU N N 39 118.314 118.314 123.324 -5.010 19149 1056 1 5 . 1 1 39 39 GLU HA H 39 5.592 5.592 4.832 0.760 19149 1057 1 5 . 1 1 39 39 GLU C C 39 176.020 176.020 175.371 0.649 19149 1058 1 5 . 1 1 39 39 GLU CA C 39 54.337 54.337 54.864 -0.527 19149 1059 1 5 . 1 1 39 39 GLU CB C 39 33.451 33.451 30.518 2.933 19149 1060 1 5 . 1 1 39 39 GLU H H 39 7.904 7.904 8.536 -0.632 19149 1061 1 5 . 1 1 40 40 PHE N N 40 119.679 119.679 122.481 -2.802 19149 1062 1 5 . 1 1 40 40 PHE HA H 40 4.736 4.736 4.827 -0.091 19149 1063 1 5 . 1 1 40 40 PHE C C 40 174.410 174.410 174.663 -0.253 19149 1064 1 5 . 1 1 40 40 PHE CA C 40 57.695 57.695 57.091 0.604 19149 1065 1 5 . 1 1 40 40 PHE CB C 40 43.280 43.280 42.508 0.772 19149 1066 1 5 . 1 1 40 40 PHE H H 40 9.181 9.181 9.354 -0.173 19149 1067 1 5 . 1 1 41 41 GLU N N 41 121.828 121.828 122.295 -0.467 19149 1068 1 5 . 1 1 41 41 GLU HA H 41 5.080 5.080 5.422 -0.342 19149 1069 1 5 . 1 1 41 41 GLU C C 41 176.525 176.525 175.735 0.790 19149 1070 1 5 . 1 1 41 41 GLU CA C 41 55.565 55.565 54.575 0.990 19149 1071 1 5 . 1 1 41 41 GLU CB C 41 31.403 31.403 31.818 -0.415 19149 1072 1 5 . 1 1 41 41 GLU H H 41 8.741 8.741 8.670 0.071 19149 1073 1 5 . 1 1 42 42 VAL N N 42 127.341 127.341 117.024 10.317 19149 1074 1 5 . 1 1 42 42 VAL HA H 42 4.495 4.495 4.597 -0.102 19149 1075 1 5 . 1 1 42 42 VAL C C 42 172.949 172.949 173.460 -0.511 19149 1076 1 5 . 1 1 42 42 VAL CA C 42 59.415 59.415 58.472 0.943 19149 1077 1 5 . 1 1 42 42 VAL CB C 42 35.990 35.990 33.107 2.883 19149 1078 1 5 . 1 1 42 42 VAL H H 42 9.393 9.393 8.769 0.624 19149 1079 1 5 . 1 1 43 43 PRO HA H 43 5.179 5.179 4.741 0.438 19149 1080 1 5 . 1 1 43 43 PRO CA C 43 61.545 61.545 62.950 -1.405 19149 1081 1 5 . 1 1 43 43 PRO CB C 43 26.637 26.637 31.059 -4.422 19149 1082 1 5 . 1 1 44 44 PHE N N 44 119.921 119.921 125.245 -5.324 19149 1083 1 5 . 1 1 44 44 PHE HA H 44 4.568 4.568 4.536 0.032 19149 1084 1 5 . 1 1 44 44 PHE C C 44 175.046 175.046 175.785 -0.739 19149 1085 1 5 . 1 1 44 44 PHE CA C 44 57.531 57.531 56.992 0.539 19149 1086 1 5 . 1 1 44 44 PHE CB C 44 44.017 44.017 40.732 3.285 19149 1087 1 5 . 1 1 44 44 PHE H H 44 8.901 8.901 8.250 0.651 19149 1088 1 5 . 1 1 45 45 ALA N N 45 123.051 123.051 122.252 0.799 19149 1089 1 5 . 1 1 45 45 ALA HA H 45 4.460 4.460 4.606 -0.146 19149 1090 1 5 . 1 1 45 45 ALA C C 45 178.378 178.378 178.110 0.268 19149 1091 1 5 . 1 1 45 45 ALA CA C 45 52.207 52.207 51.566 0.641 19149 1092 1 5 . 1 1 45 45 ALA CB C 45 19.609 19.609 19.603 0.006 19149 1093 1 5 . 1 1 45 45 ALA H H 45 8.711 8.711 8.572 0.139 19149 1094 1 5 . 1 1 46 46 ASP N N 46 119.600 119.600 120.967 -1.367 19149 1095 1 5 . 1 1 46 46 ASP HA H 46 4.312 4.312 4.742 -0.430 19149 1096 1 5 . 1 1 46 46 ASP C C 46 175.945 175.945 176.084 -0.139 19149 1097 1 5 . 1 1 46 46 ASP CA C 46 56.712 56.712 55.044 1.668 19149 1098 1 5 . 1 1 46 46 ASP CB C 46 40.904 40.904 40.685 0.219 19149 1099 1 5 . 1 1 46 46 ASP H H 46 8.592 8.592 8.905 -0.313 19149 1100 1 5 . 1 1 47 47 ASP N N 47 115.496 115.496 116.208 -0.712 19149 1101 1 5 . 1 1 47 47 ASP HA H 47 4.558 4.558 4.632 -0.074 19149 1102 1 5 . 1 1 47 47 ASP C C 47 175.776 175.776 175.316 0.460 19149 1103 1 5 . 1 1 47 47 ASP CA C 47 53.272 53.272 53.522 -0.249 19149 1104 1 5 . 1 1 47 47 ASP CB C 47 40.167 40.167 40.380 -0.213 19149 1105 1 5 . 1 1 47 47 ASP H H 47 8.256 8.256 8.111 0.145 19149 1106 1 5 . 1 1 48 48 ALA N N 48 122.516 122.516 122.688 -0.172 19149 1107 1 5 . 1 1 48 48 ALA HA H 48 4.368 4.368 4.460 -0.092 19149 1108 1 5 . 1 1 48 48 ALA C C 48 177.405 177.405 175.861 1.544 19149 1109 1 5 . 1 1 48 48 ALA CA C 48 52.207 52.207 51.023 1.184 19149 1110 1 5 . 1 1 48 48 ALA CB C 48 20.510 20.510 20.752 -0.242 19149 1111 1 5 . 1 1 48 48 ALA H H 48 7.394 7.394 7.430 -0.036 19149 1112 1 5 . 1 1 49 49 GLU N N 49 120.796 120.796 119.518 1.278 19149 1113 1 5 . 1 1 49 49 GLU HA H 49 4.211 4.211 4.251 -0.040 19149 1114 1 5 . 1 1 49 49 GLU C C 49 175.533 175.533 175.288 0.245 19149 1115 1 5 . 1 1 49 49 GLU CA C 49 55.647 55.647 55.732 -0.085 19149 1116 1 5 . 1 1 49 49 GLU CB C 49 30.093 30.093 30.171 -0.078 19149 1117 1 5 . 1 1 49 49 GLU H H 49 8.227 8.227 8.334 -0.107 19149 1118 1 5 . 1 1 50 50 ILE N N 50 127.078 127.078 123.385 3.693 19149 1119 1 5 . 1 1 50 50 ILE HA H 50 3.474 3.474 4.208 -0.734 19149 1120 1 5 . 1 1 50 50 ILE C C 50 174.859 174.859 174.160 0.699 19149 1121 1 5 . 1 1 50 50 ILE CA C 50 58.105 58.105 56.899 1.206 19149 1122 1 5 . 1 1 50 50 ILE CB C 50 37.464 37.464 37.401 0.063 19149 1123 1 5 . 1 1 50 50 ILE H H 50 8.179 8.179 8.440 -0.261 19149 1124 1 5 . 1 1 51 51 PRO HA H 51 4.716 4.716 4.646 0.070 19149 1125 1 5 . 1 1 51 51 PRO C C 51 177.948 177.948 177.365 0.583 19149 1126 1 5 . 1 1 51 51 PRO CA C 51 62.364 62.364 62.364 0.000 19149 1127 1 5 . 1 1 51 51 PRO CB C 51 32.796 32.796 33.202 -0.406 19149 1128 1 5 . 1 1 52 52 GLY N N 52 107.298 107.298 106.358 0.940 19149 1129 1 5 . 1 1 52 52 GLY C C 52 174.410 174.410 173.259 1.151 19149 1130 1 5 . 1 1 52 52 GLY CA C 52 46.802 46.802 45.048 1.754 19149 1131 1 5 . 1 1 52 52 GLY H H 52 8.899 8.899 8.875 0.024 19149 1132 1 5 . 1 1 53 53 THR N N 53 110.516 110.516 110.977 -0.461 19149 1133 1 5 . 1 1 53 53 THR HA H 53 5.645 5.645 5.832 -0.187 19149 1134 1 5 . 1 1 53 53 THR C C 53 172.781 172.781 173.173 -0.392 19149 1135 1 5 . 1 1 53 53 THR CA C 53 59.579 59.579 59.839 -0.260 19149 1136 1 5 . 1 1 53 53 THR CB C 53 72.930 72.930 71.203 1.727 19149 1137 1 5 . 1 1 53 53 THR H H 53 7.661 7.661 7.642 0.019 19149 1138 1 5 . 1 1 54 54 TRP N N 54 120.834 120.834 126.190 -5.356 19149 1139 1 5 . 1 1 54 54 TRP HA H 54 4.460 4.460 4.514 -0.054 19149 1140 1 5 . 1 1 54 54 TRP C C 54 174.222 174.222 173.615 0.607 19149 1141 1 5 . 1 1 54 54 TRP CA C 54 56.057 56.057 57.155 -1.098 19149 1142 1 5 . 1 1 54 54 TRP CB C 54 31.403 31.403 31.400 0.003 19149 1143 1 5 . 1 1 54 54 TRP H H 54 8.161 8.161 8.724 -0.563 19149 1144 1 5 . 1 1 55 55 LEU N N 55 130.424 130.424 127.713 2.711 19149 1145 1 5 . 1 1 55 55 LEU HA H 55 4.204 4.204 4.186 0.018 19149 1146 1 5 . 1 1 55 55 LEU C C 55 175.177 175.177 175.456 -0.279 19149 1147 1 5 . 1 1 55 55 LEU CA C 55 54.828 54.828 55.689 -0.861 19149 1148 1 5 . 1 1 55 55 LEU CB C 55 39.921 39.921 41.954 -2.033 19149 1149 1 5 . 1 1 55 55 LEU H H 55 7.360 7.360 7.862 -0.502 19149 1150 1 5 . 1 1 56 56 CYS N N 56 125.442 125.442 126.439 -0.997 19149 1151 1 5 . 1 1 56 56 CYS HA H 56 4.320 4.320 4.598 -0.278 19149 1152 1 5 . 1 1 56 56 CYS C C 56 176.862 176.862 175.820 1.042 19149 1153 1 5 . 1 1 56 56 CYS CA C 56 60.070 60.070 56.384 3.686 19149 1154 1 5 . 1 1 56 56 CYS CB C 56 29.274 29.274 29.905 -0.631 19149 1155 1 5 . 1 1 56 56 CYS H H 56 8.110 8.110 8.492 -0.382 19149 1156 1 5 . 1 1 57 57 ARG N N 57 120.000 120.000 123.112 -3.112 19149 1157 1 5 . 1 1 57 57 ARG HA H 57 4.007 4.007 4.007 -0.000 19149 1158 1 5 . 1 1 57 57 ARG C C 57 175.608 175.608 176.745 -1.137 19149 1159 1 5 . 1 1 57 57 ARG CA C 57 58.350 58.350 58.584 -0.235 19149 1160 1 5 . 1 1 57 57 ARG CB C 57 29.847 29.847 29.619 0.228 19149 1161 1 5 . 1 1 57 57 ARG H H 57 8.120 8.120 8.590 -0.470 19149 1162 1 5 . 1 1 58 58 ASN N N 58 114.879 114.879 114.649 0.230 19149 1163 1 5 . 1 1 58 58 ASN HA H 58 4.627 4.627 4.678 -0.051 19149 1164 1 5 . 1 1 58 58 ASN C C 58 175.982 175.982 176.064 -0.082 19149 1165 1 5 . 1 1 58 58 ASN CA C 58 52.453 52.453 52.995 -0.542 19149 1166 1 5 . 1 1 58 58 ASN CB C 58 37.546 37.546 37.599 -0.053 19149 1167 1 5 . 1 1 58 58 ASN H H 58 6.907 6.907 7.610 -0.703 19149 1168 1 5 . 1 1 59 59 GLY N N 59 107.258 107.258 106.954 0.304 19149 1169 1 5 . 1 1 59 59 GLY C C 59 173.324 173.324 173.446 -0.122 19149 1170 1 5 . 1 1 59 59 GLY CA C 59 45.245 45.245 44.832 0.413 19149 1171 1 5 . 1 1 59 59 GLY H H 59 8.222 8.222 8.023 0.199 19149 1172 1 5 . 1 1 60 60 MET N N 60 118.147 118.147 120.424 -2.277 19149 1173 1 5 . 1 1 60 60 MET HA H 60 4.539 4.539 4.701 -0.162 19149 1174 1 5 . 1 1 60 60 MET C C 60 174.353 174.353 174.470 -0.117 19149 1175 1 5 . 1 1 60 60 MET CA C 60 54.091 54.091 53.197 0.894 19149 1176 1 5 . 1 1 60 60 MET CB C 60 35.007 35.007 35.587 -0.580 19149 1177 1 5 . 1 1 60 60 MET H H 60 7.386 7.386 8.289 -0.903 19149 1178 1 5 . 1 1 61 61 GLU N N 61 121.830 121.830 125.541 -3.711 19149 1179 1 5 . 1 1 61 61 GLU HA H 61 4.519 4.519 4.317 0.202 19149 1180 1 5 . 1 1 61 61 GLU C C 61 176.637 176.637 176.292 0.345 19149 1181 1 5 . 1 1 61 61 GLU CA C 61 56.876 56.876 56.044 0.832 19149 1182 1 5 . 1 1 61 61 GLU CB C 61 30.584 30.584 30.135 0.449 19149 1183 1 5 . 1 1 61 61 GLU H H 61 8.742 8.742 8.732 0.010 19149 1184 1 5 . 1 1 62 62 GLY N N 62 116.891 116.891 114.772 2.119 19149 1185 1 5 . 1 1 62 62 GLY C C 62 172.145 172.145 173.363 -1.218 19149 1186 1 5 . 1 1 62 62 GLY CA C 62 44.344 44.344 44.814 -0.470 19149 1187 1 5 . 1 1 62 62 GLY H H 62 9.783 9.783 8.764 1.019 19149 1188 1 5 . 1 1 63 63 THR N N 63 116.976 116.976 118.589 -1.613 19149 1189 1 5 . 1 1 63 63 THR HA H 63 5.060 5.060 5.378 -0.318 19149 1190 1 5 . 1 1 63 63 THR C C 63 174.709 174.709 174.449 0.260 19149 1191 1 5 . 1 1 63 63 THR CA C 63 62.036 62.036 61.222 0.814 19149 1192 1 5 . 1 1 63 63 THR CB C 63 71.128 71.128 71.289 -0.161 19149 1193 1 5 . 1 1 63 63 THR H H 63 8.811 8.811 8.653 0.158 19149 1194 1 5 . 1 1 64 64 LEU N N 64 129.784 129.784 129.882 -0.098 19149 1195 1 5 . 1 1 64 64 LEU HA H 64 3.749 3.749 4.956 -1.207 19149 1196 1 5 . 1 1 64 64 LEU C C 64 176.581 176.581 176.673 -0.092 19149 1197 1 5 . 1 1 64 64 LEU CA C 64 56.303 56.303 54.504 1.799 19149 1198 1 5 . 1 1 64 64 LEU CB C 64 43.198 43.198 42.754 0.444 19149 1199 1 5 . 1 1 64 64 LEU H H 64 8.178 8.178 8.934 -0.756 19149 1200 1 5 . 1 1 65 65 ILE N N 65 127.682 127.682 126.939 0.743 19149 1201 1 5 . 1 1 65 65 ILE HA H 65 4.102 4.102 3.831 0.271 19149 1202 1 5 . 1 1 65 65 ILE C C 65 175.720 175.720 175.220 0.500 19149 1203 1 5 . 1 1 65 65 ILE CA C 65 61.381 61.381 62.461 -1.080 19149 1204 1 5 . 1 1 65 65 ILE CB C 65 38.611 38.611 36.710 1.901 19149 1205 1 5 . 1 1 65 65 ILE H H 65 8.713 8.713 7.973 0.740 19149 1206 1 5 . 1 1 66 66 GLU N N 66 126.115 126.115 123.103 3.012 19149 1207 1 5 . 1 1 66 66 GLU HA H 66 4.312 4.312 3.997 0.315 19149 1208 1 5 . 1 1 66 66 GLU C C 66 176.562 176.562 175.448 1.114 19149 1209 1 5 . 1 1 66 66 GLU CA C 66 56.630 56.630 56.826 -0.196 19149 1210 1 5 . 1 1 66 66 GLU CB C 66 31.076 31.076 27.951 3.126 19149 1211 1 5 . 1 1 66 66 GLU H H 66 8.392 8.392 8.455 -0.063 19149 1212 1 5 . 1 1 67 67 GLY N N 67 109.600 109.600 109.560 0.040 19149 1213 1 5 . 1 1 67 67 GLY C C 67 173.474 173.474 173.279 0.195 19149 1214 1 5 . 1 1 67 67 GLY CA C 67 45.245 45.245 44.421 0.824 19149 1215 1 5 . 1 1 67 67 GLY H H 67 8.330 8.330 8.327 0.003 19149 1216 1 5 . 1 1 68 68 ASP N N 68 120.192 120.192 121.330 -1.138 19149 1217 1 5 . 1 1 68 68 ASP HA H 68 4.627 4.627 4.758 -0.132 19149 1218 1 5 . 1 1 68 68 ASP C C 68 175.926 175.926 176.023 -0.097 19149 1219 1 5 . 1 1 68 68 ASP CA C 68 54.091 54.091 53.627 0.464 19149 1220 1 5 . 1 1 68 68 ASP CB C 68 41.396 41.396 41.831 -0.435 19149 1221 1 5 . 1 1 68 68 ASP H H 68 8.236 8.236 8.134 0.102 19149 1222 1 5 . 1 1 69 69 LEU N N 69 123.225 123.225 122.146 1.079 19149 1223 1 5 . 1 1 69 69 LEU HA H 69 4.608 4.608 5.064 -0.456 19149 1224 1 5 . 1 1 69 69 LEU C C 69 175.233 175.233 175.137 0.096 19149 1225 1 5 . 1 1 69 69 LEU CA C 69 53.190 53.190 51.941 1.249 19149 1226 1 5 . 1 1 69 69 LEU CB C 69 41.887 41.887 41.686 0.201 19149 1227 1 5 . 1 1 69 69 LEU H H 69 8.130 8.130 8.186 -0.056 19149 1228 1 5 . 1 1 70 70 PRO HA H 70 4.421 4.421 4.461 -0.040 19149 1229 1 5 . 1 1 70 70 PRO CA C 70 63.224 63.224 63.032 0.192 19149 1230 1 5 . 1 1 70 70 PRO CB C 70 32.189 32.189 32.285 -0.097 19149 1231 1 6 . 1 1 27 27 ARG N N 27 120.668 120.668 121.507 -0.839 19149 1232 1 6 . 1 1 27 27 ARG HA H 27 4.578 4.578 4.596 -0.018 19149 1233 1 6 . 1 1 27 27 ARG C C 27 176.132 176.132 175.382 0.750 19149 1234 1 6 . 1 1 27 27 ARG CA C 27 55.893 55.893 55.582 0.311 19149 1235 1 6 . 1 1 27 27 ARG CB C 27 31.813 31.813 29.546 2.268 19149 1236 1 6 . 1 1 27 27 ARG H H 27 8.320 8.320 8.532 -0.212 19149 1237 1 6 . 1 1 28 28 GLN N N 28 119.898 119.898 121.121 -1.223 19149 1238 1 6 . 1 1 28 28 GLN HA H 28 4.608 4.608 4.583 0.025 19149 1239 1 6 . 1 1 28 28 GLN C C 28 174.372 174.372 174.900 -0.528 19149 1240 1 6 . 1 1 28 28 GLN CA C 28 55.320 55.320 53.981 1.339 19149 1241 1 6 . 1 1 28 28 GLN CB C 28 31.403 31.403 30.941 0.462 19149 1242 1 6 . 1 1 28 28 GLN H H 28 8.756 8.756 7.931 0.825 19149 1243 1 6 . 1 1 29 29 ILE N N 29 122.828 122.828 121.571 1.257 19149 1244 1 6 . 1 1 29 29 ILE HA H 29 4.598 4.598 4.410 0.188 19149 1245 1 6 . 1 1 29 29 ILE C C 29 175.158 175.158 175.791 -0.633 19149 1246 1 6 . 1 1 29 29 ILE CA C 29 59.825 59.825 60.528 -0.703 19149 1247 1 6 . 1 1 29 29 ILE CB C 29 38.857 38.857 38.315 0.542 19149 1248 1 6 . 1 1 29 29 ILE H H 29 8.433 8.433 8.496 -0.063 19149 1249 1 6 . 1 1 30 30 ALA N N 30 131.643 131.643 131.353 0.290 19149 1250 1 6 . 1 1 30 30 ALA HA H 30 4.578 4.578 4.513 0.065 19149 1251 1 6 . 1 1 30 30 ALA C C 30 174.728 174.728 175.712 -0.984 19149 1252 1 6 . 1 1 30 30 ALA CA C 30 50.487 50.487 50.608 -0.121 19149 1253 1 6 . 1 1 30 30 ALA CB C 30 23.049 23.049 21.188 1.861 19149 1254 1 6 . 1 1 30 30 ALA H H 30 8.801 8.801 8.720 0.081 19149 1255 1 6 . 1 1 31 31 ARG N N 31 120.391 120.391 120.585 -0.194 19149 1256 1 6 . 1 1 31 31 ARG HA H 31 5.450 5.450 5.237 0.213 19149 1257 1 6 . 1 1 31 31 ARG C C 31 176.076 176.076 175.304 0.772 19149 1258 1 6 . 1 1 31 31 ARG CA C 31 54.400 54.400 54.786 -0.386 19149 1259 1 6 . 1 1 31 31 ARG CB C 31 33.400 33.400 32.256 1.144 19149 1260 1 6 . 1 1 31 31 ARG H H 31 8.285 8.285 8.177 0.108 19149 1261 1 6 . 1 1 32 32 TYR N N 32 119.947 119.947 124.968 -5.021 19149 1262 1 6 . 1 1 32 32 TYR HA H 32 5.011 5.011 4.966 0.045 19149 1263 1 6 . 1 1 32 32 TYR C C 32 174.803 174.803 174.624 0.179 19149 1264 1 6 . 1 1 32 32 TYR CA C 32 57.286 57.286 57.070 0.216 19149 1265 1 6 . 1 1 32 32 TYR CB C 32 44.099 44.099 39.976 4.123 19149 1266 1 6 . 1 1 32 32 TYR H H 32 8.895 8.895 9.376 -0.481 19149 1267 1 6 . 1 1 33 33 ARG N N 33 121.071 121.071 127.218 -6.147 19149 1268 1 6 . 1 1 33 33 ARG HA H 33 5.818 5.818 5.112 0.706 19149 1269 1 6 . 1 1 33 33 ARG C C 33 177.873 177.873 176.729 1.144 19149 1270 1 6 . 1 1 33 33 ARG CA C 33 54.091 54.091 55.036 -0.945 19149 1271 1 6 . 1 1 33 33 ARG CB C 33 34.188 34.188 32.523 1.665 19149 1272 1 6 . 1 1 33 33 ARG H H 33 8.918 8.918 9.356 -0.438 19149 1273 1 6 . 1 1 34 34 THR N N 34 119.578 119.578 119.930 -0.352 19149 1274 1 6 . 1 1 34 34 THR HA H 34 5.060 5.060 4.797 0.263 19149 1275 1 6 . 1 1 34 34 THR C C 34 177.274 177.274 175.603 1.671 19149 1276 1 6 . 1 1 34 34 THR CA C 34 61.545 61.545 60.943 0.602 19149 1277 1 6 . 1 1 34 34 THR CB C 34 70.718 70.718 70.908 -0.190 19149 1278 1 6 . 1 1 34 34 THR H H 34 9.583 9.583 8.961 0.622 19149 1279 1 6 . 1 1 35 35 ASP N N 35 120.797 120.797 122.932 -2.135 19149 1280 1 6 . 1 1 35 35 ASP HA H 35 4.509 4.509 4.359 0.150 19149 1281 1 6 . 1 1 35 35 ASP C C 35 176.188 176.188 177.022 -0.834 19149 1282 1 6 . 1 1 35 35 ASP CA C 35 57.777 57.777 57.073 0.704 19149 1283 1 6 . 1 1 35 35 ASP CB C 35 40.741 40.741 41.179 -0.438 19149 1284 1 6 . 1 1 35 35 ASP H H 35 9.601 9.601 8.858 0.743 19149 1285 1 6 . 1 1 36 36 ASN N N 36 114.714 114.714 114.011 0.703 19149 1286 1 6 . 1 1 36 36 ASN HA H 36 4.736 4.736 4.607 0.129 19149 1287 1 6 . 1 1 36 36 ASN C C 36 176.188 176.188 175.894 0.294 19149 1288 1 6 . 1 1 36 36 ASN CA C 36 52.617 52.617 53.043 -0.426 19149 1289 1 6 . 1 1 36 36 ASN CB C 36 37.792 37.792 38.506 -0.714 19149 1290 1 6 . 1 1 36 36 ASN H H 36 7.824 7.824 8.250 -0.426 19149 1291 1 6 . 1 1 37 37 GLY N N 37 108.692 108.692 107.246 1.446 19149 1292 1 6 . 1 1 37 37 GLY C C 37 174.428 174.428 174.091 0.337 19149 1293 1 6 . 1 1 37 37 GLY CA C 37 45.082 45.082 44.883 0.199 19149 1294 1 6 . 1 1 37 37 GLY H H 37 8.520 8.520 8.173 0.347 19149 1295 1 6 . 1 1 38 38 GLU N N 38 120.618 120.618 122.358 -1.740 19149 1296 1 6 . 1 1 38 38 GLU HA H 38 4.135 4.135 4.247 -0.112 19149 1297 1 6 . 1 1 38 38 GLU C C 38 174.204 174.204 175.857 -1.653 19149 1298 1 6 . 1 1 38 38 GLU CA C 38 58.023 58.023 55.560 2.463 19149 1299 1 6 . 1 1 38 38 GLU CB C 38 31.239 31.239 29.775 1.464 19149 1300 1 6 . 1 1 38 38 GLU H H 38 7.159 7.159 7.929 -0.770 19149 1301 1 6 . 1 1 39 39 GLU N N 39 118.314 118.314 124.317 -6.003 19149 1302 1 6 . 1 1 39 39 GLU HA H 39 5.592 5.592 4.885 0.707 19149 1303 1 6 . 1 1 39 39 GLU C C 39 176.020 176.020 175.769 0.251 19149 1304 1 6 . 1 1 39 39 GLU CA C 39 54.337 54.337 55.620 -1.282 19149 1305 1 6 . 1 1 39 39 GLU CB C 39 33.451 33.451 31.001 2.450 19149 1306 1 6 . 1 1 39 39 GLU H H 39 7.904 7.904 8.692 -0.788 19149 1307 1 6 . 1 1 40 40 PHE N N 40 119.679 119.679 124.453 -4.774 19149 1308 1 6 . 1 1 40 40 PHE HA H 40 4.736 4.736 4.816 -0.080 19149 1309 1 6 . 1 1 40 40 PHE C C 40 174.410 174.410 174.793 -0.383 19149 1310 1 6 . 1 1 40 40 PHE CA C 40 57.695 57.695 56.940 0.755 19149 1311 1 6 . 1 1 40 40 PHE CB C 40 43.280 43.280 41.445 1.835 19149 1312 1 6 . 1 1 40 40 PHE H H 40 9.181 9.181 9.440 -0.259 19149 1313 1 6 . 1 1 41 41 GLU N N 41 121.828 121.828 124.969 -3.141 19149 1314 1 6 . 1 1 41 41 GLU HA H 41 5.080 5.080 5.405 -0.325 19149 1315 1 6 . 1 1 41 41 GLU C C 41 176.525 176.525 175.982 0.543 19149 1316 1 6 . 1 1 41 41 GLU CA C 41 55.565 55.565 55.051 0.514 19149 1317 1 6 . 1 1 41 41 GLU CB C 41 31.403 31.403 31.218 0.185 19149 1318 1 6 . 1 1 41 41 GLU H H 41 8.741 8.741 8.860 -0.119 19149 1319 1 6 . 1 1 42 42 VAL N N 42 127.341 127.341 117.229 10.112 19149 1320 1 6 . 1 1 42 42 VAL HA H 42 4.495 4.495 4.506 -0.011 19149 1321 1 6 . 1 1 42 42 VAL C C 42 172.949 172.949 173.306 -0.357 19149 1322 1 6 . 1 1 42 42 VAL CA C 42 59.415 59.415 58.799 0.616 19149 1323 1 6 . 1 1 42 42 VAL CB C 42 35.990 35.990 33.129 2.861 19149 1324 1 6 . 1 1 42 42 VAL H H 42 9.393 9.393 8.784 0.609 19149 1325 1 6 . 1 1 43 43 PRO HA H 43 5.179 5.179 4.511 0.668 19149 1326 1 6 . 1 1 43 43 PRO CA C 43 61.545 61.545 62.580 -1.035 19149 1327 1 6 . 1 1 43 43 PRO CB C 43 26.637 26.637 30.897 -4.260 19149 1328 1 6 . 1 1 44 44 PHE N N 44 119.921 119.921 126.034 -6.113 19149 1329 1 6 . 1 1 44 44 PHE HA H 44 4.568 4.568 4.421 0.147 19149 1330 1 6 . 1 1 44 44 PHE C C 44 175.046 175.046 175.934 -0.888 19149 1331 1 6 . 1 1 44 44 PHE CA C 44 57.531 57.531 57.861 -0.330 19149 1332 1 6 . 1 1 44 44 PHE CB C 44 44.017 44.017 39.866 4.151 19149 1333 1 6 . 1 1 44 44 PHE H H 44 8.901 8.901 7.892 1.009 19149 1334 1 6 . 1 1 45 45 ALA N N 45 123.051 123.051 122.204 0.847 19149 1335 1 6 . 1 1 45 45 ALA HA H 45 4.460 4.460 4.419 0.041 19149 1336 1 6 . 1 1 45 45 ALA C C 45 178.378 178.378 178.569 -0.191 19149 1337 1 6 . 1 1 45 45 ALA CA C 45 52.207 52.207 51.924 0.283 19149 1338 1 6 . 1 1 45 45 ALA CB C 45 19.609 19.609 20.013 -0.404 19149 1339 1 6 . 1 1 45 45 ALA H H 45 8.711 8.711 8.437 0.274 19149 1340 1 6 . 1 1 46 46 ASP N N 46 119.600 119.600 117.555 2.045 19149 1341 1 6 . 1 1 46 46 ASP HA H 46 4.312 4.312 4.666 -0.354 19149 1342 1 6 . 1 1 46 46 ASP C C 46 175.945 175.945 176.632 -0.687 19149 1343 1 6 . 1 1 46 46 ASP CA C 46 56.712 56.712 55.855 0.857 19149 1344 1 6 . 1 1 46 46 ASP CB C 46 40.904 40.904 41.045 -0.141 19149 1345 1 6 . 1 1 46 46 ASP H H 46 8.592 8.592 8.626 -0.034 19149 1346 1 6 . 1 1 47 47 ASP N N 47 115.496 115.496 116.468 -0.972 19149 1347 1 6 . 1 1 47 47 ASP HA H 47 4.558 4.558 4.557 0.001 19149 1348 1 6 . 1 1 47 47 ASP C C 47 175.776 175.776 174.878 0.898 19149 1349 1 6 . 1 1 47 47 ASP CA C 47 53.272 53.272 53.645 -0.373 19149 1350 1 6 . 1 1 47 47 ASP CB C 47 40.167 40.167 40.093 0.074 19149 1351 1 6 . 1 1 47 47 ASP H H 47 8.256 8.256 8.145 0.111 19149 1352 1 6 . 1 1 48 48 ALA N N 48 122.516 122.516 123.070 -0.554 19149 1353 1 6 . 1 1 48 48 ALA HA H 48 4.368 4.368 4.592 -0.224 19149 1354 1 6 . 1 1 48 48 ALA C C 48 177.405 177.405 176.205 1.200 19149 1355 1 6 . 1 1 48 48 ALA CA C 48 52.207 52.207 51.476 0.731 19149 1356 1 6 . 1 1 48 48 ALA CB C 48 20.510 20.510 21.035 -0.525 19149 1357 1 6 . 1 1 48 48 ALA H H 48 7.394 7.394 7.238 0.156 19149 1358 1 6 . 1 1 49 49 GLU N N 49 120.796 120.796 120.493 0.303 19149 1359 1 6 . 1 1 49 49 GLU HA H 49 4.211 4.211 4.431 -0.220 19149 1360 1 6 . 1 1 49 49 GLU C C 49 175.533 175.533 175.348 0.185 19149 1361 1 6 . 1 1 49 49 GLU CA C 49 55.647 55.647 55.188 0.459 19149 1362 1 6 . 1 1 49 49 GLU CB C 49 30.093 30.093 31.234 -1.141 19149 1363 1 6 . 1 1 49 49 GLU H H 49 8.227 8.227 8.294 -0.067 19149 1364 1 6 . 1 1 50 50 ILE N N 50 127.078 127.078 121.954 5.124 19149 1365 1 6 . 1 1 50 50 ILE HA H 50 3.474 3.474 4.171 -0.697 19149 1366 1 6 . 1 1 50 50 ILE C C 50 174.859 174.859 173.928 0.931 19149 1367 1 6 . 1 1 50 50 ILE CA C 50 58.105 58.105 57.330 0.775 19149 1368 1 6 . 1 1 50 50 ILE CB C 50 37.464 37.464 37.092 0.372 19149 1369 1 6 . 1 1 50 50 ILE H H 50 8.179 8.179 8.447 -0.268 19149 1370 1 6 . 1 1 51 51 PRO HA H 51 4.716 4.716 4.973 -0.257 19149 1371 1 6 . 1 1 51 51 PRO C C 51 177.948 177.948 177.596 0.352 19149 1372 1 6 . 1 1 51 51 PRO CA C 51 62.364 62.364 62.136 0.228 19149 1373 1 6 . 1 1 51 51 PRO CB C 51 32.796 32.796 33.406 -0.610 19149 1374 1 6 . 1 1 52 52 GLY N N 52 107.298 107.298 106.613 0.685 19149 1375 1 6 . 1 1 52 52 GLY C C 52 174.410 174.410 173.422 0.988 19149 1376 1 6 . 1 1 52 52 GLY CA C 52 46.802 46.802 45.254 1.548 19149 1377 1 6 . 1 1 52 52 GLY H H 52 8.899 8.899 8.638 0.261 19149 1378 1 6 . 1 1 53 53 THR N N 53 110.516 110.516 111.102 -0.586 19149 1379 1 6 . 1 1 53 53 THR HA H 53 5.645 5.645 5.648 -0.003 19149 1380 1 6 . 1 1 53 53 THR C C 53 172.781 172.781 173.305 -0.524 19149 1381 1 6 . 1 1 53 53 THR CA C 53 59.579 59.579 60.304 -0.725 19149 1382 1 6 . 1 1 53 53 THR CB C 53 72.930 72.930 71.234 1.696 19149 1383 1 6 . 1 1 53 53 THR H H 53 7.661 7.661 7.666 -0.005 19149 1384 1 6 . 1 1 54 54 TRP N N 54 120.834 120.834 126.001 -5.167 19149 1385 1 6 . 1 1 54 54 TRP HA H 54 4.460 4.460 4.689 -0.229 19149 1386 1 6 . 1 1 54 54 TRP C C 54 174.222 174.222 173.499 0.723 19149 1387 1 6 . 1 1 54 54 TRP CA C 54 56.057 56.057 56.697 -0.640 19149 1388 1 6 . 1 1 54 54 TRP CB C 54 31.403 31.403 31.910 -0.507 19149 1389 1 6 . 1 1 54 54 TRP H H 54 8.161 8.161 8.459 -0.298 19149 1390 1 6 . 1 1 55 55 LEU N N 55 130.424 130.424 127.563 2.861 19149 1391 1 6 . 1 1 55 55 LEU HA H 55 4.204 4.204 4.110 0.094 19149 1392 1 6 . 1 1 55 55 LEU C C 55 175.177 175.177 175.322 -0.145 19149 1393 1 6 . 1 1 55 55 LEU CA C 55 54.828 54.828 55.792 -0.964 19149 1394 1 6 . 1 1 55 55 LEU CB C 55 39.921 39.921 41.764 -1.843 19149 1395 1 6 . 1 1 55 55 LEU H H 55 7.360 7.360 7.939 -0.579 19149 1396 1 6 . 1 1 56 56 CYS N N 56 125.442 125.442 125.132 0.310 19149 1397 1 6 . 1 1 56 56 CYS HA H 56 4.320 4.320 4.643 -0.323 19149 1398 1 6 . 1 1 56 56 CYS C C 56 176.862 176.862 176.088 0.774 19149 1399 1 6 . 1 1 56 56 CYS CA C 56 60.070 60.070 56.311 3.759 19149 1400 1 6 . 1 1 56 56 CYS CB C 56 29.274 29.274 30.130 -0.856 19149 1401 1 6 . 1 1 56 56 CYS H H 56 8.110 8.110 8.148 -0.038 19149 1402 1 6 . 1 1 57 57 ARG N N 57 120.000 120.000 122.349 -2.349 19149 1403 1 6 . 1 1 57 57 ARG HA H 57 4.007 4.007 4.043 -0.036 19149 1404 1 6 . 1 1 57 57 ARG C C 57 175.608 175.608 176.660 -1.052 19149 1405 1 6 . 1 1 57 57 ARG CA C 57 58.350 58.350 59.134 -0.784 19149 1406 1 6 . 1 1 57 57 ARG CB C 57 29.847 29.847 30.041 -0.194 19149 1407 1 6 . 1 1 57 57 ARG H H 57 8.120 8.120 8.714 -0.594 19149 1408 1 6 . 1 1 58 58 ASN N N 58 114.879 114.879 115.069 -0.190 19149 1409 1 6 . 1 1 58 58 ASN HA H 58 4.627 4.627 4.708 -0.081 19149 1410 1 6 . 1 1 58 58 ASN C C 58 175.982 175.982 175.881 0.101 19149 1411 1 6 . 1 1 58 58 ASN CA C 58 52.453 52.453 52.809 -0.356 19149 1412 1 6 . 1 1 58 58 ASN CB C 58 37.546 37.546 37.626 -0.079 19149 1413 1 6 . 1 1 58 58 ASN H H 58 6.907 6.907 7.643 -0.736 19149 1414 1 6 . 1 1 59 59 GLY N N 59 107.258 107.258 108.234 -0.976 19149 1415 1 6 . 1 1 59 59 GLY C C 59 173.324 173.324 173.488 -0.164 19149 1416 1 6 . 1 1 59 59 GLY CA C 59 45.245 45.245 45.036 0.209 19149 1417 1 6 . 1 1 59 59 GLY H H 59 8.222 8.222 8.000 0.222 19149 1418 1 6 . 1 1 60 60 MET N N 60 118.147 118.147 121.277 -3.130 19149 1419 1 6 . 1 1 60 60 MET HA H 60 4.539 4.539 4.574 -0.035 19149 1420 1 6 . 1 1 60 60 MET C C 60 174.353 174.353 174.851 -0.498 19149 1421 1 6 . 1 1 60 60 MET CA C 60 54.091 54.091 54.455 -0.364 19149 1422 1 6 . 1 1 60 60 MET CB C 60 35.007 35.007 34.047 0.960 19149 1423 1 6 . 1 1 60 60 MET H H 60 7.386 7.386 7.581 -0.195 19149 1424 1 6 . 1 1 61 61 GLU N N 61 121.830 121.830 125.904 -4.074 19149 1425 1 6 . 1 1 61 61 GLU HA H 61 4.519 4.519 4.327 0.192 19149 1426 1 6 . 1 1 61 61 GLU C C 61 176.637 176.637 176.720 -0.083 19149 1427 1 6 . 1 1 61 61 GLU CA C 61 56.876 56.876 55.948 0.928 19149 1428 1 6 . 1 1 61 61 GLU CB C 61 30.584 30.584 29.170 1.414 19149 1429 1 6 . 1 1 61 61 GLU H H 61 8.742 8.742 8.695 0.047 19149 1430 1 6 . 1 1 62 62 GLY N N 62 116.891 116.891 112.872 4.019 19149 1431 1 6 . 1 1 62 62 GLY C C 62 172.145 172.145 173.657 -1.512 19149 1432 1 6 . 1 1 62 62 GLY CA C 62 44.344 44.344 45.100 -0.756 19149 1433 1 6 . 1 1 62 62 GLY H H 62 9.783 9.783 8.360 1.423 19149 1434 1 6 . 1 1 63 63 THR N N 63 116.976 116.976 120.640 -3.664 19149 1435 1 6 . 1 1 63 63 THR HA H 63 5.060 5.060 5.329 -0.269 19149 1436 1 6 . 1 1 63 63 THR C C 63 174.709 174.709 174.796 -0.087 19149 1437 1 6 . 1 1 63 63 THR CA C 63 62.036 62.036 61.798 0.238 19149 1438 1 6 . 1 1 63 63 THR CB C 63 71.128 71.128 70.297 0.830 19149 1439 1 6 . 1 1 63 63 THR H H 63 8.811 8.811 8.456 0.355 19149 1440 1 6 . 1 1 64 64 LEU N N 64 129.784 129.784 129.834 -0.050 19149 1441 1 6 . 1 1 64 64 LEU HA H 64 3.749 3.749 4.934 -1.185 19149 1442 1 6 . 1 1 64 64 LEU C C 64 176.581 176.581 176.275 0.306 19149 1443 1 6 . 1 1 64 64 LEU CA C 64 56.303 56.303 54.622 1.681 19149 1444 1 6 . 1 1 64 64 LEU CB C 64 43.198 43.198 42.571 0.627 19149 1445 1 6 . 1 1 64 64 LEU H H 64 8.178 8.178 8.945 -0.767 19149 1446 1 6 . 1 1 65 65 ILE N N 65 127.682 127.682 126.158 1.524 19149 1447 1 6 . 1 1 65 65 ILE HA H 65 4.102 4.102 3.976 0.126 19149 1448 1 6 . 1 1 65 65 ILE C C 65 175.720 175.720 175.461 0.259 19149 1449 1 6 . 1 1 65 65 ILE CA C 65 61.381 61.381 61.718 -0.337 19149 1450 1 6 . 1 1 65 65 ILE CB C 65 38.611 38.611 37.568 1.043 19149 1451 1 6 . 1 1 65 65 ILE H H 65 8.713 8.713 7.957 0.756 19149 1452 1 6 . 1 1 66 66 GLU N N 66 126.115 126.115 124.045 2.070 19149 1453 1 6 . 1 1 66 66 GLU HA H 66 4.312 4.312 3.966 0.346 19149 1454 1 6 . 1 1 66 66 GLU C C 66 176.562 176.562 175.149 1.413 19149 1455 1 6 . 1 1 66 66 GLU CA C 66 56.630 56.630 56.968 -0.338 19149 1456 1 6 . 1 1 66 66 GLU CB C 66 31.076 31.076 28.544 2.532 19149 1457 1 6 . 1 1 66 66 GLU H H 66 8.392 8.392 8.907 -0.515 19149 1458 1 6 . 1 1 67 67 GLY N N 67 109.600 109.600 110.223 -0.623 19149 1459 1 6 . 1 1 67 67 GLY C C 67 173.474 173.474 172.817 0.657 19149 1460 1 6 . 1 1 67 67 GLY CA C 67 45.245 45.245 44.736 0.509 19149 1461 1 6 . 1 1 67 67 GLY H H 67 8.330 8.330 8.118 0.212 19149 1462 1 6 . 1 1 68 68 ASP N N 68 120.192 120.192 121.426 -1.234 19149 1463 1 6 . 1 1 68 68 ASP HA H 68 4.627 4.627 4.685 -0.058 19149 1464 1 6 . 1 1 68 68 ASP C C 68 175.926 175.926 176.321 -0.395 19149 1465 1 6 . 1 1 68 68 ASP CA C 68 54.091 54.091 53.977 0.114 19149 1466 1 6 . 1 1 68 68 ASP CB C 68 41.396 41.396 41.843 -0.447 19149 1467 1 6 . 1 1 68 68 ASP H H 68 8.236 8.236 8.056 0.180 19149 1468 1 6 . 1 1 69 69 LEU N N 69 123.225 123.225 127.389 -4.164 19149 1469 1 6 . 1 1 69 69 LEU HA H 69 4.608 4.608 4.491 0.117 19149 1470 1 6 . 1 1 69 69 LEU C C 69 175.233 175.233 175.323 -0.090 19149 1471 1 6 . 1 1 69 69 LEU CA C 69 53.190 53.190 52.973 0.217 19149 1472 1 6 . 1 1 69 69 LEU CB C 69 41.887 41.887 41.845 0.042 19149 1473 1 6 . 1 1 69 69 LEU H H 69 8.130 8.130 8.421 -0.291 19149 1474 1 6 . 1 1 70 70 PRO HA H 70 4.421 4.421 4.380 0.041 19149 1475 1 6 . 1 1 70 70 PRO CA C 70 63.224 63.224 63.084 0.140 19149 1476 1 6 . 1 1 70 70 PRO CB C 70 32.189 32.189 31.949 0.240 19149 1477 1 7 . 1 1 27 27 ARG N N 27 120.668 120.668 121.471 -0.803 19149 1478 1 7 . 1 1 27 27 ARG HA H 27 4.578 4.578 4.519 0.059 19149 1479 1 7 . 1 1 27 27 ARG C C 27 176.132 176.132 175.915 0.217 19149 1480 1 7 . 1 1 27 27 ARG CA C 27 55.893 55.893 56.425 -0.532 19149 1481 1 7 . 1 1 27 27 ARG CB C 27 31.813 31.813 32.053 -0.240 19149 1482 1 7 . 1 1 27 27 ARG H H 27 8.320 8.320 8.987 -0.667 19149 1483 1 7 . 1 1 28 28 GLN N N 28 119.898 119.898 118.161 1.737 19149 1484 1 7 . 1 1 28 28 GLN HA H 28 4.608 4.608 4.596 0.012 19149 1485 1 7 . 1 1 28 28 GLN C C 28 174.372 174.372 174.809 -0.437 19149 1486 1 7 . 1 1 28 28 GLN CA C 28 55.320 55.320 54.285 1.035 19149 1487 1 7 . 1 1 28 28 GLN CB C 28 31.403 31.403 31.118 0.285 19149 1488 1 7 . 1 1 28 28 GLN H H 28 8.756 8.756 7.904 0.852 19149 1489 1 7 . 1 1 29 29 ILE N N 29 122.828 122.828 123.755 -0.927 19149 1490 1 7 . 1 1 29 29 ILE HA H 29 4.598 4.598 4.120 0.478 19149 1491 1 7 . 1 1 29 29 ILE C C 29 175.158 175.158 175.785 -0.627 19149 1492 1 7 . 1 1 29 29 ILE CA C 29 59.825 59.825 60.823 -0.998 19149 1493 1 7 . 1 1 29 29 ILE CB C 29 38.857 38.857 37.666 1.190 19149 1494 1 7 . 1 1 29 29 ILE H H 29 8.433 8.433 8.609 -0.176 19149 1495 1 7 . 1 1 30 30 ALA N N 30 131.643 131.643 131.754 -0.111 19149 1496 1 7 . 1 1 30 30 ALA HA H 30 4.578 4.578 4.503 0.075 19149 1497 1 7 . 1 1 30 30 ALA C C 30 174.728 174.728 175.718 -0.990 19149 1498 1 7 . 1 1 30 30 ALA CA C 30 50.487 50.487 50.719 -0.232 19149 1499 1 7 . 1 1 30 30 ALA CB C 30 23.049 23.049 21.145 1.904 19149 1500 1 7 . 1 1 30 30 ALA H H 30 8.801 8.801 8.423 0.378 19149 1501 1 7 . 1 1 31 31 ARG N N 31 120.391 120.391 120.610 -0.219 19149 1502 1 7 . 1 1 31 31 ARG HA H 31 5.450 5.450 5.363 0.087 19149 1503 1 7 . 1 1 31 31 ARG C C 31 176.076 176.076 175.378 0.698 19149 1504 1 7 . 1 1 31 31 ARG CA C 31 54.400 54.400 54.592 -0.192 19149 1505 1 7 . 1 1 31 31 ARG CB C 31 33.400 33.400 32.663 0.737 19149 1506 1 7 . 1 1 31 31 ARG H H 31 8.285 8.285 8.184 0.101 19149 1507 1 7 . 1 1 32 32 TYR N N 32 119.947 119.947 124.307 -4.360 19149 1508 1 7 . 1 1 32 32 TYR HA H 32 5.011 5.011 4.873 0.138 19149 1509 1 7 . 1 1 32 32 TYR C C 32 174.803 174.803 174.713 0.090 19149 1510 1 7 . 1 1 32 32 TYR CA C 32 57.286 57.286 57.925 -0.639 19149 1511 1 7 . 1 1 32 32 TYR CB C 32 44.099 44.099 39.815 4.284 19149 1512 1 7 . 1 1 32 32 TYR H H 32 8.895 8.895 9.279 -0.384 19149 1513 1 7 . 1 1 33 33 ARG N N 33 121.071 121.071 126.498 -5.427 19149 1514 1 7 . 1 1 33 33 ARG HA H 33 5.818 5.818 5.782 0.036 19149 1515 1 7 . 1 1 33 33 ARG C C 33 177.873 177.873 177.055 0.818 19149 1516 1 7 . 1 1 33 33 ARG CA C 33 54.091 54.091 54.902 -0.811 19149 1517 1 7 . 1 1 33 33 ARG CB C 33 34.188 34.188 32.832 1.356 19149 1518 1 7 . 1 1 33 33 ARG H H 33 8.918 8.918 9.217 -0.299 19149 1519 1 7 . 1 1 34 34 THR N N 34 119.578 119.578 119.668 -0.090 19149 1520 1 7 . 1 1 34 34 THR HA H 34 5.060 5.060 4.791 0.269 19149 1521 1 7 . 1 1 34 34 THR C C 34 177.274 177.274 176.048 1.226 19149 1522 1 7 . 1 1 34 34 THR CA C 34 61.545 61.545 59.741 1.804 19149 1523 1 7 . 1 1 34 34 THR CB C 34 70.718 70.718 70.437 0.281 19149 1524 1 7 . 1 1 34 34 THR H H 34 9.583 9.583 8.556 1.027 19149 1525 1 7 . 1 1 35 35 ASP N N 35 120.797 120.797 119.137 1.660 19149 1526 1 7 . 1 1 35 35 ASP HA H 35 4.509 4.509 4.393 0.116 19149 1527 1 7 . 1 1 35 35 ASP C C 35 176.188 176.188 176.809 -0.621 19149 1528 1 7 . 1 1 35 35 ASP CA C 35 57.777 57.777 56.743 1.034 19149 1529 1 7 . 1 1 35 35 ASP CB C 35 40.741 40.741 40.050 0.691 19149 1530 1 7 . 1 1 35 35 ASP H H 35 9.601 9.601 8.707 0.894 19149 1531 1 7 . 1 1 36 36 ASN N N 36 114.714 114.714 117.224 -2.510 19149 1532 1 7 . 1 1 36 36 ASN HA H 36 4.736 4.736 4.660 0.076 19149 1533 1 7 . 1 1 36 36 ASN C C 36 176.188 176.188 176.347 -0.159 19149 1534 1 7 . 1 1 36 36 ASN CA C 36 52.617 52.617 53.532 -0.915 19149 1535 1 7 . 1 1 36 36 ASN CB C 36 37.792 37.792 39.014 -1.222 19149 1536 1 7 . 1 1 36 36 ASN H H 36 7.824 7.824 7.983 -0.159 19149 1537 1 7 . 1 1 37 37 GLY N N 37 108.692 108.692 107.603 1.089 19149 1538 1 7 . 1 1 37 37 GLY C C 37 174.428 174.428 174.393 0.035 19149 1539 1 7 . 1 1 37 37 GLY CA C 37 45.082 45.082 45.189 -0.107 19149 1540 1 7 . 1 1 37 37 GLY H H 37 8.520 8.520 8.200 0.320 19149 1541 1 7 . 1 1 38 38 GLU N N 38 120.618 120.618 121.243 -0.625 19149 1542 1 7 . 1 1 38 38 GLU HA H 38 4.135 4.135 4.268 -0.133 19149 1543 1 7 . 1 1 38 38 GLU C C 38 174.204 174.204 175.822 -1.618 19149 1544 1 7 . 1 1 38 38 GLU CA C 38 58.023 58.023 55.737 2.286 19149 1545 1 7 . 1 1 38 38 GLU CB C 38 31.239 31.239 30.402 0.837 19149 1546 1 7 . 1 1 38 38 GLU H H 38 7.159 7.159 7.992 -0.833 19149 1547 1 7 . 1 1 39 39 GLU N N 39 118.314 118.314 122.172 -3.858 19149 1548 1 7 . 1 1 39 39 GLU HA H 39 5.592 5.592 4.490 1.102 19149 1549 1 7 . 1 1 39 39 GLU C C 39 176.020 176.020 175.691 0.329 19149 1550 1 7 . 1 1 39 39 GLU CA C 39 54.337 54.337 55.787 -1.450 19149 1551 1 7 . 1 1 39 39 GLU CB C 39 33.451 33.451 30.377 3.075 19149 1552 1 7 . 1 1 39 39 GLU H H 39 7.904 7.904 8.596 -0.692 19149 1553 1 7 . 1 1 40 40 PHE N N 40 119.679 119.679 125.079 -5.400 19149 1554 1 7 . 1 1 40 40 PHE HA H 40 4.736 4.736 4.730 0.006 19149 1555 1 7 . 1 1 40 40 PHE C C 40 174.410 174.410 175.010 -0.600 19149 1556 1 7 . 1 1 40 40 PHE CA C 40 57.695 57.695 57.286 0.409 19149 1557 1 7 . 1 1 40 40 PHE CB C 40 43.280 43.280 40.787 2.493 19149 1558 1 7 . 1 1 40 40 PHE H H 40 9.181 9.181 9.085 0.096 19149 1559 1 7 . 1 1 41 41 GLU N N 41 121.828 121.828 124.562 -2.734 19149 1560 1 7 . 1 1 41 41 GLU HA H 41 5.080 5.080 5.591 -0.511 19149 1561 1 7 . 1 1 41 41 GLU C C 41 176.525 176.525 175.983 0.542 19149 1562 1 7 . 1 1 41 41 GLU CA C 41 55.565 55.565 54.579 0.986 19149 1563 1 7 . 1 1 41 41 GLU CB C 41 31.403 31.403 31.489 -0.086 19149 1564 1 7 . 1 1 41 41 GLU H H 41 8.741 8.741 8.769 -0.028 19149 1565 1 7 . 1 1 42 42 VAL N N 42 127.341 127.341 116.251 11.090 19149 1566 1 7 . 1 1 42 42 VAL HA H 42 4.495 4.495 4.431 0.064 19149 1567 1 7 . 1 1 42 42 VAL C C 42 172.949 172.949 173.145 -0.196 19149 1568 1 7 . 1 1 42 42 VAL CA C 42 59.415 59.415 58.291 1.124 19149 1569 1 7 . 1 1 42 42 VAL CB C 42 35.990 35.990 32.865 3.125 19149 1570 1 7 . 1 1 42 42 VAL H H 42 9.393 9.393 8.725 0.668 19149 1571 1 7 . 1 1 43 43 PRO HA H 43 5.179 5.179 4.435 0.744 19149 1572 1 7 . 1 1 43 43 PRO CA C 43 61.545 61.545 62.482 -0.937 19149 1573 1 7 . 1 1 43 43 PRO CB C 43 26.637 26.637 30.923 -4.286 19149 1574 1 7 . 1 1 44 44 PHE N N 44 119.921 119.921 125.135 -5.214 19149 1575 1 7 . 1 1 44 44 PHE HA H 44 4.568 4.568 4.641 -0.073 19149 1576 1 7 . 1 1 44 44 PHE C C 44 175.046 175.046 175.527 -0.481 19149 1577 1 7 . 1 1 44 44 PHE CA C 44 57.531 57.531 56.769 0.762 19149 1578 1 7 . 1 1 44 44 PHE CB C 44 44.017 44.017 40.956 3.061 19149 1579 1 7 . 1 1 44 44 PHE H H 44 8.901 8.901 7.851 1.050 19149 1580 1 7 . 1 1 45 45 ALA N N 45 123.051 123.051 122.528 0.523 19149 1581 1 7 . 1 1 45 45 ALA HA H 45 4.460 4.460 4.561 -0.101 19149 1582 1 7 . 1 1 45 45 ALA C C 45 178.378 178.378 178.285 0.093 19149 1583 1 7 . 1 1 45 45 ALA CA C 45 52.207 52.207 51.352 0.855 19149 1584 1 7 . 1 1 45 45 ALA CB C 45 19.609 19.609 20.192 -0.583 19149 1585 1 7 . 1 1 45 45 ALA H H 45 8.711 8.711 8.475 0.236 19149 1586 1 7 . 1 1 46 46 ASP N N 46 119.600 119.600 117.143 2.457 19149 1587 1 7 . 1 1 46 46 ASP HA H 46 4.312 4.312 4.408 -0.096 19149 1588 1 7 . 1 1 46 46 ASP C C 46 175.945 175.945 176.015 -0.070 19149 1589 1 7 . 1 1 46 46 ASP CA C 46 56.712 56.712 55.681 1.031 19149 1590 1 7 . 1 1 46 46 ASP CB C 46 40.904 40.904 40.676 0.228 19149 1591 1 7 . 1 1 46 46 ASP H H 46 8.592 8.592 8.686 -0.094 19149 1592 1 7 . 1 1 47 47 ASP N N 47 115.496 115.496 117.415 -1.919 19149 1593 1 7 . 1 1 47 47 ASP HA H 47 4.558 4.558 4.506 0.052 19149 1594 1 7 . 1 1 47 47 ASP C C 47 175.776 175.776 175.740 0.036 19149 1595 1 7 . 1 1 47 47 ASP CA C 47 53.272 53.272 53.880 -0.608 19149 1596 1 7 . 1 1 47 47 ASP CB C 47 40.167 40.167 40.594 -0.427 19149 1597 1 7 . 1 1 47 47 ASP H H 47 8.256 8.256 7.936 0.320 19149 1598 1 7 . 1 1 48 48 ALA N N 48 122.516 122.516 123.718 -1.202 19149 1599 1 7 . 1 1 48 48 ALA HA H 48 4.368 4.368 4.351 0.017 19149 1600 1 7 . 1 1 48 48 ALA C C 48 177.405 177.405 176.699 0.706 19149 1601 1 7 . 1 1 48 48 ALA CA C 48 52.207 52.207 51.804 0.403 19149 1602 1 7 . 1 1 48 48 ALA CB C 48 20.510 20.510 19.699 0.811 19149 1603 1 7 . 1 1 48 48 ALA H H 48 7.394 7.394 7.467 -0.073 19149 1604 1 7 . 1 1 49 49 GLU N N 49 120.796 120.796 121.581 -0.785 19149 1605 1 7 . 1 1 49 49 GLU HA H 49 4.211 4.211 4.416 -0.205 19149 1606 1 7 . 1 1 49 49 GLU C C 49 175.533 175.533 175.131 0.402 19149 1607 1 7 . 1 1 49 49 GLU CA C 49 55.647 55.647 55.265 0.382 19149 1608 1 7 . 1 1 49 49 GLU CB C 49 30.093 30.093 29.945 0.148 19149 1609 1 7 . 1 1 49 49 GLU H H 49 8.227 8.227 8.360 -0.133 19149 1610 1 7 . 1 1 50 50 ILE N N 50 127.078 127.078 125.983 1.095 19149 1611 1 7 . 1 1 50 50 ILE HA H 50 3.474 3.474 4.367 -0.893 19149 1612 1 7 . 1 1 50 50 ILE C C 50 174.859 174.859 174.703 0.156 19149 1613 1 7 . 1 1 50 50 ILE CA C 50 58.105 58.105 57.386 0.719 19149 1614 1 7 . 1 1 50 50 ILE CB C 50 37.464 37.464 37.052 0.412 19149 1615 1 7 . 1 1 50 50 ILE H H 50 8.179 8.179 8.595 -0.416 19149 1616 1 7 . 1 1 51 51 PRO HA H 51 4.716 4.716 5.005 -0.289 19149 1617 1 7 . 1 1 51 51 PRO C C 51 177.948 177.948 177.323 0.625 19149 1618 1 7 . 1 1 51 51 PRO CA C 51 62.364 62.364 61.896 0.468 19149 1619 1 7 . 1 1 51 51 PRO CB C 51 32.796 32.796 33.164 -0.368 19149 1620 1 7 . 1 1 52 52 GLY N N 52 107.298 107.298 106.728 0.570 19149 1621 1 7 . 1 1 52 52 GLY C C 52 174.410 174.410 173.716 0.694 19149 1622 1 7 . 1 1 52 52 GLY CA C 52 46.802 46.802 45.307 1.495 19149 1623 1 7 . 1 1 52 52 GLY H H 52 8.899 8.899 8.744 0.155 19149 1624 1 7 . 1 1 53 53 THR N N 53 110.516 110.516 110.170 0.346 19149 1625 1 7 . 1 1 53 53 THR HA H 53 5.645 5.645 5.847 -0.202 19149 1626 1 7 . 1 1 53 53 THR C C 53 172.781 172.781 173.130 -0.349 19149 1627 1 7 . 1 1 53 53 THR CA C 53 59.579 59.579 59.733 -0.154 19149 1628 1 7 . 1 1 53 53 THR CB C 53 72.930 72.930 71.602 1.328 19149 1629 1 7 . 1 1 53 53 THR H H 53 7.661 7.661 7.685 -0.024 19149 1630 1 7 . 1 1 54 54 TRP N N 54 120.834 120.834 126.957 -6.123 19149 1631 1 7 . 1 1 54 54 TRP HA H 54 4.460 4.460 4.587 -0.127 19149 1632 1 7 . 1 1 54 54 TRP C C 54 174.222 174.222 173.086 1.136 19149 1633 1 7 . 1 1 54 54 TRP CA C 54 56.057 56.057 56.656 -0.599 19149 1634 1 7 . 1 1 54 54 TRP CB C 54 31.403 31.403 32.007 -0.604 19149 1635 1 7 . 1 1 54 54 TRP H H 54 8.161 8.161 8.573 -0.412 19149 1636 1 7 . 1 1 55 55 LEU N N 55 130.424 130.424 126.787 3.637 19149 1637 1 7 . 1 1 55 55 LEU HA H 55 4.204 4.204 4.097 0.107 19149 1638 1 7 . 1 1 55 55 LEU C C 55 175.177 175.177 175.692 -0.515 19149 1639 1 7 . 1 1 55 55 LEU CA C 55 54.828 54.828 55.553 -0.726 19149 1640 1 7 . 1 1 55 55 LEU CB C 55 39.921 39.921 41.816 -1.895 19149 1641 1 7 . 1 1 55 55 LEU H H 55 7.360 7.360 7.842 -0.482 19149 1642 1 7 . 1 1 56 56 CYS N N 56 125.442 125.442 125.248 0.194 19149 1643 1 7 . 1 1 56 56 CYS HA H 56 4.320 4.320 4.714 -0.394 19149 1644 1 7 . 1 1 56 56 CYS C C 56 176.862 176.862 175.232 1.630 19149 1645 1 7 . 1 1 56 56 CYS CA C 56 60.070 60.070 56.374 3.696 19149 1646 1 7 . 1 1 56 56 CYS CB C 56 29.274 29.274 30.283 -1.009 19149 1647 1 7 . 1 1 56 56 CYS H H 56 8.110 8.110 8.125 -0.015 19149 1648 1 7 . 1 1 57 57 ARG N N 57 120.000 120.000 122.993 -2.993 19149 1649 1 7 . 1 1 57 57 ARG HA H 57 4.007 4.007 4.047 -0.040 19149 1650 1 7 . 1 1 57 57 ARG C C 57 175.608 175.608 175.941 -0.333 19149 1651 1 7 . 1 1 57 57 ARG CA C 57 58.350 58.350 58.717 -0.367 19149 1652 1 7 . 1 1 57 57 ARG CB C 57 29.847 29.847 29.718 0.129 19149 1653 1 7 . 1 1 57 57 ARG H H 57 8.120 8.120 8.782 -0.662 19149 1654 1 7 . 1 1 58 58 ASN N N 58 114.879 114.879 116.721 -1.842 19149 1655 1 7 . 1 1 58 58 ASN HA H 58 4.627 4.627 4.699 -0.072 19149 1656 1 7 . 1 1 58 58 ASN C C 58 175.982 175.982 175.925 0.057 19149 1657 1 7 . 1 1 58 58 ASN CA C 58 52.453 52.453 52.744 -0.291 19149 1658 1 7 . 1 1 58 58 ASN CB C 58 37.546 37.546 37.791 -0.245 19149 1659 1 7 . 1 1 58 58 ASN H H 58 6.907 6.907 7.683 -0.776 19149 1660 1 7 . 1 1 59 59 GLY N N 59 107.258 107.258 108.716 -1.458 19149 1661 1 7 . 1 1 59 59 GLY C C 59 173.324 173.324 173.146 0.178 19149 1662 1 7 . 1 1 59 59 GLY CA C 59 45.245 45.245 44.927 0.318 19149 1663 1 7 . 1 1 59 59 GLY H H 59 8.222 8.222 8.168 0.054 19149 1664 1 7 . 1 1 60 60 MET N N 60 118.147 118.147 120.032 -1.885 19149 1665 1 7 . 1 1 60 60 MET HA H 60 4.539 4.539 4.675 -0.136 19149 1666 1 7 . 1 1 60 60 MET C C 60 174.353 174.353 174.676 -0.323 19149 1667 1 7 . 1 1 60 60 MET CA C 60 54.091 54.091 53.316 0.775 19149 1668 1 7 . 1 1 60 60 MET CB C 60 35.007 35.007 35.267 -0.260 19149 1669 1 7 . 1 1 60 60 MET H H 60 7.386 7.386 7.610 -0.224 19149 1670 1 7 . 1 1 61 61 GLU N N 61 121.830 121.830 127.806 -5.976 19149 1671 1 7 . 1 1 61 61 GLU HA H 61 4.519 4.519 4.176 0.343 19149 1672 1 7 . 1 1 61 61 GLU C C 61 176.637 176.637 176.592 0.045 19149 1673 1 7 . 1 1 61 61 GLU CA C 61 56.876 56.876 56.694 0.182 19149 1674 1 7 . 1 1 61 61 GLU CB C 61 30.584 30.584 29.052 1.532 19149 1675 1 7 . 1 1 61 61 GLU H H 61 8.742 8.742 8.858 -0.116 19149 1676 1 7 . 1 1 62 62 GLY N N 62 116.891 116.891 113.022 3.869 19149 1677 1 7 . 1 1 62 62 GLY C C 62 172.145 172.145 173.482 -1.337 19149 1678 1 7 . 1 1 62 62 GLY CA C 62 44.344 44.344 44.652 -0.308 19149 1679 1 7 . 1 1 62 62 GLY H H 62 9.783 9.783 8.508 1.276 19149 1680 1 7 . 1 1 63 63 THR N N 63 116.976 116.976 119.745 -2.769 19149 1681 1 7 . 1 1 63 63 THR HA H 63 5.060 5.060 5.318 -0.258 19149 1682 1 7 . 1 1 63 63 THR C C 63 174.709 174.709 174.619 0.090 19149 1683 1 7 . 1 1 63 63 THR CA C 63 62.036 62.036 61.136 0.900 19149 1684 1 7 . 1 1 63 63 THR CB C 63 71.128 71.128 70.542 0.586 19149 1685 1 7 . 1 1 63 63 THR H H 63 8.811 8.811 8.641 0.170 19149 1686 1 7 . 1 1 64 64 LEU N N 64 129.784 129.784 130.105 -0.321 19149 1687 1 7 . 1 1 64 64 LEU HA H 64 3.749 3.749 4.839 -1.090 19149 1688 1 7 . 1 1 64 64 LEU C C 64 176.581 176.581 176.245 0.336 19149 1689 1 7 . 1 1 64 64 LEU CA C 64 56.303 56.303 54.698 1.605 19149 1690 1 7 . 1 1 64 64 LEU CB C 64 43.198 43.198 42.583 0.615 19149 1691 1 7 . 1 1 64 64 LEU H H 64 8.178 8.178 9.037 -0.859 19149 1692 1 7 . 1 1 65 65 ILE N N 65 127.682 127.682 127.522 0.160 19149 1693 1 7 . 1 1 65 65 ILE HA H 65 4.102 4.102 3.891 0.211 19149 1694 1 7 . 1 1 65 65 ILE C C 65 175.720 175.720 175.371 0.349 19149 1695 1 7 . 1 1 65 65 ILE CA C 65 61.381 61.381 62.556 -1.175 19149 1696 1 7 . 1 1 65 65 ILE CB C 65 38.611 38.611 36.732 1.879 19149 1697 1 7 . 1 1 65 65 ILE H H 65 8.713 8.713 8.090 0.623 19149 1698 1 7 . 1 1 66 66 GLU N N 66 126.115 126.115 122.246 3.869 19149 1699 1 7 . 1 1 66 66 GLU HA H 66 4.312 4.312 4.019 0.293 19149 1700 1 7 . 1 1 66 66 GLU C C 66 176.562 176.562 175.758 0.804 19149 1701 1 7 . 1 1 66 66 GLU CA C 66 56.630 56.630 56.829 -0.199 19149 1702 1 7 . 1 1 66 66 GLU CB C 66 31.076 31.076 27.726 3.350 19149 1703 1 7 . 1 1 66 66 GLU H H 66 8.392 8.392 8.595 -0.203 19149 1704 1 7 . 1 1 67 67 GLY N N 67 109.600 109.600 107.851 1.749 19149 1705 1 7 . 1 1 67 67 GLY C C 67 173.474 173.474 173.276 0.198 19149 1706 1 7 . 1 1 67 67 GLY CA C 67 45.245 45.245 44.084 1.161 19149 1707 1 7 . 1 1 67 67 GLY H H 67 8.330 8.330 7.776 0.554 19149 1708 1 7 . 1 1 68 68 ASP N N 68 120.192 120.192 119.534 0.658 19149 1709 1 7 . 1 1 68 68 ASP HA H 68 4.627 4.627 4.677 -0.050 19149 1710 1 7 . 1 1 68 68 ASP C C 68 175.926 175.926 175.936 -0.010 19149 1711 1 7 . 1 1 68 68 ASP CA C 68 54.091 54.091 54.444 -0.353 19149 1712 1 7 . 1 1 68 68 ASP CB C 68 41.396 41.396 42.416 -1.020 19149 1713 1 7 . 1 1 68 68 ASP H H 68 8.236 8.236 8.085 0.151 19149 1714 1 7 . 1 1 69 69 LEU N N 69 123.225 123.225 121.596 1.629 19149 1715 1 7 . 1 1 69 69 LEU HA H 69 4.608 4.608 4.973 -0.365 19149 1716 1 7 . 1 1 69 69 LEU C C 69 175.233 175.233 175.276 -0.043 19149 1717 1 7 . 1 1 69 69 LEU CA C 69 53.190 53.190 51.746 1.444 19149 1718 1 7 . 1 1 69 69 LEU CB C 69 41.887 41.887 41.663 0.224 19149 1719 1 7 . 1 1 69 69 LEU H H 69 8.130 8.130 8.204 -0.074 19149 1720 1 7 . 1 1 70 70 PRO HA H 70 4.421 4.421 4.620 -0.199 19149 1721 1 7 . 1 1 70 70 PRO CA C 70 63.224 63.224 62.742 0.482 19149 1722 1 7 . 1 1 70 70 PRO CB C 70 32.189 32.189 32.371 -0.182 19149 1723 1 8 . 1 1 27 27 ARG N N 27 120.668 120.668 116.828 3.840 19149 1724 1 8 . 1 1 27 27 ARG HA H 27 4.578 4.578 4.139 0.439 19149 1725 1 8 . 1 1 27 27 ARG C C 27 176.132 176.132 175.313 0.819 19149 1726 1 8 . 1 1 27 27 ARG CA C 27 55.893 55.893 57.379 -1.486 19149 1727 1 8 . 1 1 27 27 ARG CB C 27 31.813 31.813 28.032 3.781 19149 1728 1 8 . 1 1 27 27 ARG H H 27 8.320 8.320 8.358 -0.038 19149 1729 1 8 . 1 1 28 28 GLN N N 28 119.898 119.898 115.844 4.054 19149 1730 1 8 . 1 1 28 28 GLN HA H 28 4.608 4.608 4.618 -0.010 19149 1731 1 8 . 1 1 28 28 GLN C C 28 174.372 174.372 174.543 -0.171 19149 1732 1 8 . 1 1 28 28 GLN CA C 28 55.320 55.320 53.857 1.463 19149 1733 1 8 . 1 1 28 28 GLN CB C 28 31.403 31.403 31.332 0.071 19149 1734 1 8 . 1 1 28 28 GLN H H 28 8.756 8.756 7.886 0.870 19149 1735 1 8 . 1 1 29 29 ILE N N 29 122.828 122.828 121.655 1.173 19149 1736 1 8 . 1 1 29 29 ILE HA H 29 4.598 4.598 4.420 0.178 19149 1737 1 8 . 1 1 29 29 ILE C C 29 175.158 175.158 175.769 -0.611 19149 1738 1 8 . 1 1 29 29 ILE CA C 29 59.825 59.825 60.468 -0.643 19149 1739 1 8 . 1 1 29 29 ILE CB C 29 38.857 38.857 37.896 0.961 19149 1740 1 8 . 1 1 29 29 ILE H H 29 8.433 8.433 8.532 -0.099 19149 1741 1 8 . 1 1 30 30 ALA N N 30 131.643 131.643 131.368 0.275 19149 1742 1 8 . 1 1 30 30 ALA HA H 30 4.578 4.578 4.493 0.085 19149 1743 1 8 . 1 1 30 30 ALA C C 30 174.728 174.728 176.053 -1.325 19149 1744 1 8 . 1 1 30 30 ALA CA C 30 50.487 50.487 51.004 -0.517 19149 1745 1 8 . 1 1 30 30 ALA CB C 30 23.049 23.049 21.129 1.920 19149 1746 1 8 . 1 1 30 30 ALA H H 30 8.801 8.801 8.644 0.157 19149 1747 1 8 . 1 1 31 31 ARG N N 31 120.391 120.391 121.956 -1.565 19149 1748 1 8 . 1 1 31 31 ARG HA H 31 5.450 5.450 5.584 -0.134 19149 1749 1 8 . 1 1 31 31 ARG C C 31 176.076 176.076 175.693 0.383 19149 1750 1 8 . 1 1 31 31 ARG CA C 31 54.400 54.400 54.443 -0.043 19149 1751 1 8 . 1 1 31 31 ARG CB C 31 33.400 33.400 32.035 1.365 19149 1752 1 8 . 1 1 31 31 ARG H H 31 8.285 8.285 8.293 -0.008 19149 1753 1 8 . 1 1 32 32 TYR N N 32 119.947 119.947 125.106 -5.159 19149 1754 1 8 . 1 1 32 32 TYR HA H 32 5.011 5.011 4.849 0.162 19149 1755 1 8 . 1 1 32 32 TYR C C 32 174.803 174.803 174.811 -0.008 19149 1756 1 8 . 1 1 32 32 TYR CA C 32 57.286 57.286 57.454 -0.168 19149 1757 1 8 . 1 1 32 32 TYR CB C 32 44.099 44.099 40.122 3.977 19149 1758 1 8 . 1 1 32 32 TYR H H 32 8.895 8.895 8.978 -0.083 19149 1759 1 8 . 1 1 33 33 ARG N N 33 121.071 121.071 127.186 -6.115 19149 1760 1 8 . 1 1 33 33 ARG HA H 33 5.818 5.818 5.489 0.329 19149 1761 1 8 . 1 1 33 33 ARG C C 33 177.873 177.873 177.290 0.583 19149 1762 1 8 . 1 1 33 33 ARG CA C 33 54.091 54.091 54.490 -0.399 19149 1763 1 8 . 1 1 33 33 ARG CB C 33 34.188 34.188 32.259 1.929 19149 1764 1 8 . 1 1 33 33 ARG H H 33 8.918 8.918 9.410 -0.492 19149 1765 1 8 . 1 1 34 34 THR N N 34 119.578 119.578 119.984 -0.406 19149 1766 1 8 . 1 1 34 34 THR HA H 34 5.060 5.060 4.748 0.312 19149 1767 1 8 . 1 1 34 34 THR C C 34 177.274 177.274 176.059 1.215 19149 1768 1 8 . 1 1 34 34 THR CA C 34 61.545 61.545 61.340 0.205 19149 1769 1 8 . 1 1 34 34 THR CB C 34 70.718 70.718 70.212 0.506 19149 1770 1 8 . 1 1 34 34 THR H H 34 9.583 9.583 9.193 0.390 19149 1771 1 8 . 1 1 35 35 ASP N N 35 120.797 120.797 121.414 -0.617 19149 1772 1 8 . 1 1 35 35 ASP HA H 35 4.509 4.509 4.391 0.118 19149 1773 1 8 . 1 1 35 35 ASP C C 35 176.188 176.188 176.670 -0.482 19149 1774 1 8 . 1 1 35 35 ASP CA C 35 57.777 57.777 56.754 1.023 19149 1775 1 8 . 1 1 35 35 ASP CB C 35 40.741 40.741 40.649 0.092 19149 1776 1 8 . 1 1 35 35 ASP H H 35 9.601 9.601 8.882 0.719 19149 1777 1 8 . 1 1 36 36 ASN N N 36 114.714 114.714 116.398 -1.684 19149 1778 1 8 . 1 1 36 36 ASN HA H 36 4.736 4.736 4.671 0.065 19149 1779 1 8 . 1 1 36 36 ASN C C 36 176.188 176.188 175.927 0.261 19149 1780 1 8 . 1 1 36 36 ASN CA C 36 52.617 52.617 53.542 -0.925 19149 1781 1 8 . 1 1 36 36 ASN CB C 36 37.792 37.792 38.452 -0.660 19149 1782 1 8 . 1 1 36 36 ASN H H 36 7.824 7.824 8.344 -0.520 19149 1783 1 8 . 1 1 37 37 GLY N N 37 108.692 108.692 106.569 2.123 19149 1784 1 8 . 1 1 37 37 GLY C C 37 174.428 174.428 174.226 0.202 19149 1785 1 8 . 1 1 37 37 GLY CA C 37 45.082 45.082 44.978 0.104 19149 1786 1 8 . 1 1 37 37 GLY H H 37 8.520 8.520 8.146 0.374 19149 1787 1 8 . 1 1 38 38 GLU N N 38 120.618 120.618 121.782 -1.164 19149 1788 1 8 . 1 1 38 38 GLU HA H 38 4.135 4.135 4.063 0.072 19149 1789 1 8 . 1 1 38 38 GLU C C 38 174.204 174.204 175.787 -1.583 19149 1790 1 8 . 1 1 38 38 GLU CA C 38 58.023 58.023 56.640 1.383 19149 1791 1 8 . 1 1 38 38 GLU CB C 38 31.239 31.239 29.915 1.324 19149 1792 1 8 . 1 1 38 38 GLU H H 38 7.159 7.159 7.839 -0.680 19149 1793 1 8 . 1 1 39 39 GLU N N 39 118.314 118.314 123.733 -5.419 19149 1794 1 8 . 1 1 39 39 GLU HA H 39 5.592 5.592 4.746 0.846 19149 1795 1 8 . 1 1 39 39 GLU C C 39 176.020 176.020 175.645 0.375 19149 1796 1 8 . 1 1 39 39 GLU CA C 39 54.337 54.337 55.604 -1.267 19149 1797 1 8 . 1 1 39 39 GLU CB C 39 33.451 33.451 30.927 2.523 19149 1798 1 8 . 1 1 39 39 GLU H H 39 7.904 7.904 8.448 -0.544 19149 1799 1 8 . 1 1 40 40 PHE N N 40 119.679 119.679 123.624 -3.945 19149 1800 1 8 . 1 1 40 40 PHE HA H 40 4.736 4.736 4.857 -0.121 19149 1801 1 8 . 1 1 40 40 PHE C C 40 174.410 174.410 174.423 -0.013 19149 1802 1 8 . 1 1 40 40 PHE CA C 40 57.695 57.695 56.899 0.796 19149 1803 1 8 . 1 1 40 40 PHE CB C 40 43.280 43.280 42.817 0.463 19149 1804 1 8 . 1 1 40 40 PHE H H 40 9.181 9.181 9.220 -0.040 19149 1805 1 8 . 1 1 41 41 GLU N N 41 121.828 121.828 122.475 -0.647 19149 1806 1 8 . 1 1 41 41 GLU HA H 41 5.080 5.080 5.494 -0.414 19149 1807 1 8 . 1 1 41 41 GLU C C 41 176.525 176.525 175.685 0.840 19149 1808 1 8 . 1 1 41 41 GLU CA C 41 55.565 55.565 54.504 1.061 19149 1809 1 8 . 1 1 41 41 GLU CB C 41 31.403 31.403 31.802 -0.400 19149 1810 1 8 . 1 1 41 41 GLU H H 41 8.741 8.741 8.730 0.011 19149 1811 1 8 . 1 1 42 42 VAL N N 42 127.341 127.341 117.178 10.163 19149 1812 1 8 . 1 1 42 42 VAL HA H 42 4.495 4.495 4.514 -0.019 19149 1813 1 8 . 1 1 42 42 VAL C C 42 172.949 172.949 173.277 -0.328 19149 1814 1 8 . 1 1 42 42 VAL CA C 42 59.415 59.415 58.322 1.093 19149 1815 1 8 . 1 1 42 42 VAL CB C 42 35.990 35.990 32.868 3.122 19149 1816 1 8 . 1 1 42 42 VAL H H 42 9.393 9.393 8.693 0.700 19149 1817 1 8 . 1 1 43 43 PRO HA H 43 5.179 5.179 4.681 0.498 19149 1818 1 8 . 1 1 43 43 PRO CA C 43 61.545 61.545 62.887 -1.342 19149 1819 1 8 . 1 1 43 43 PRO CB C 43 26.637 26.637 31.157 -4.520 19149 1820 1 8 . 1 1 44 44 PHE N N 44 119.921 119.921 125.067 -5.146 19149 1821 1 8 . 1 1 44 44 PHE HA H 44 4.568 4.568 4.664 -0.096 19149 1822 1 8 . 1 1 44 44 PHE C C 44 175.046 175.046 175.746 -0.700 19149 1823 1 8 . 1 1 44 44 PHE CA C 44 57.531 57.531 56.726 0.805 19149 1824 1 8 . 1 1 44 44 PHE CB C 44 44.017 44.017 40.799 3.218 19149 1825 1 8 . 1 1 44 44 PHE H H 44 8.901 8.901 8.593 0.308 19149 1826 1 8 . 1 1 45 45 ALA N N 45 123.051 123.051 122.324 0.727 19149 1827 1 8 . 1 1 45 45 ALA HA H 45 4.460 4.460 4.433 0.027 19149 1828 1 8 . 1 1 45 45 ALA C C 45 178.378 178.378 178.309 0.069 19149 1829 1 8 . 1 1 45 45 ALA CA C 45 52.207 52.207 52.135 0.072 19149 1830 1 8 . 1 1 45 45 ALA CB C 45 19.609 19.609 19.795 -0.186 19149 1831 1 8 . 1 1 45 45 ALA H H 45 8.711 8.711 8.490 0.221 19149 1832 1 8 . 1 1 46 46 ASP N N 46 119.600 119.600 115.746 3.854 19149 1833 1 8 . 1 1 46 46 ASP HA H 46 4.312 4.312 4.499 -0.187 19149 1834 1 8 . 1 1 46 46 ASP C C 46 175.945 175.945 176.172 -0.227 19149 1835 1 8 . 1 1 46 46 ASP CA C 46 56.712 56.712 55.809 0.903 19149 1836 1 8 . 1 1 46 46 ASP CB C 46 40.904 40.904 41.063 -0.159 19149 1837 1 8 . 1 1 46 46 ASP H H 46 8.592 8.592 8.564 0.028 19149 1838 1 8 . 1 1 47 47 ASP N N 47 115.496 115.496 118.047 -2.551 19149 1839 1 8 . 1 1 47 47 ASP HA H 47 4.558 4.558 4.496 0.062 19149 1840 1 8 . 1 1 47 47 ASP C C 47 175.776 175.776 175.536 0.240 19149 1841 1 8 . 1 1 47 47 ASP CA C 47 53.272 53.272 54.206 -0.935 19149 1842 1 8 . 1 1 47 47 ASP CB C 47 40.167 40.167 40.601 -0.434 19149 1843 1 8 . 1 1 47 47 ASP H H 47 8.256 8.256 8.187 0.069 19149 1844 1 8 . 1 1 48 48 ALA N N 48 122.516 122.516 123.253 -0.737 19149 1845 1 8 . 1 1 48 48 ALA HA H 48 4.368 4.368 4.289 0.079 19149 1846 1 8 . 1 1 48 48 ALA C C 48 177.405 177.405 176.933 0.472 19149 1847 1 8 . 1 1 48 48 ALA CA C 48 52.207 52.207 51.843 0.364 19149 1848 1 8 . 1 1 48 48 ALA CB C 48 20.510 20.510 19.141 1.369 19149 1849 1 8 . 1 1 48 48 ALA H H 48 7.394 7.394 7.409 -0.015 19149 1850 1 8 . 1 1 49 49 GLU N N 49 120.796 120.796 123.039 -2.243 19149 1851 1 8 . 1 1 49 49 GLU HA H 49 4.211 4.211 4.353 -0.142 19149 1852 1 8 . 1 1 49 49 GLU C C 49 175.533 175.533 175.596 -0.063 19149 1853 1 8 . 1 1 49 49 GLU CA C 49 55.647 55.647 55.727 -0.080 19149 1854 1 8 . 1 1 49 49 GLU CB C 49 30.093 30.093 30.356 -0.263 19149 1855 1 8 . 1 1 49 49 GLU H H 49 8.227 8.227 8.489 -0.262 19149 1856 1 8 . 1 1 50 50 ILE N N 50 127.078 127.078 127.409 -0.331 19149 1857 1 8 . 1 1 50 50 ILE HA H 50 3.474 3.474 4.211 -0.737 19149 1858 1 8 . 1 1 50 50 ILE C C 50 174.859 174.859 174.556 0.303 19149 1859 1 8 . 1 1 50 50 ILE CA C 50 58.105 58.105 58.552 -0.447 19149 1860 1 8 . 1 1 50 50 ILE CB C 50 37.464 37.464 38.039 -0.575 19149 1861 1 8 . 1 1 50 50 ILE H H 50 8.179 8.179 8.424 -0.245 19149 1862 1 8 . 1 1 51 51 PRO HA H 51 4.716 4.716 4.814 -0.098 19149 1863 1 8 . 1 1 51 51 PRO C C 51 177.948 177.948 176.924 1.024 19149 1864 1 8 . 1 1 51 51 PRO CA C 51 62.364 62.364 61.849 0.515 19149 1865 1 8 . 1 1 51 51 PRO CB C 51 32.796 32.796 33.017 -0.221 19149 1866 1 8 . 1 1 52 52 GLY N N 52 107.298 107.298 106.075 1.223 19149 1867 1 8 . 1 1 52 52 GLY C C 52 174.410 174.410 173.776 0.634 19149 1868 1 8 . 1 1 52 52 GLY CA C 52 46.802 46.802 45.428 1.374 19149 1869 1 8 . 1 1 52 52 GLY H H 52 8.899 8.899 8.855 0.044 19149 1870 1 8 . 1 1 53 53 THR N N 53 110.516 110.516 109.868 0.648 19149 1871 1 8 . 1 1 53 53 THR HA H 53 5.645 5.645 5.812 -0.167 19149 1872 1 8 . 1 1 53 53 THR C C 53 172.781 172.781 173.289 -0.508 19149 1873 1 8 . 1 1 53 53 THR CA C 53 59.579 59.579 59.867 -0.288 19149 1874 1 8 . 1 1 53 53 THR CB C 53 72.930 72.930 71.417 1.513 19149 1875 1 8 . 1 1 53 53 THR H H 53 7.661 7.661 7.679 -0.018 19149 1876 1 8 . 1 1 54 54 TRP N N 54 120.834 120.834 127.207 -6.373 19149 1877 1 8 . 1 1 54 54 TRP HA H 54 4.460 4.460 4.694 -0.234 19149 1878 1 8 . 1 1 54 54 TRP C C 54 174.222 174.222 173.290 0.932 19149 1879 1 8 . 1 1 54 54 TRP CA C 54 56.057 56.057 56.717 -0.659 19149 1880 1 8 . 1 1 54 54 TRP CB C 54 31.403 31.403 32.087 -0.684 19149 1881 1 8 . 1 1 54 54 TRP H H 54 8.161 8.161 8.602 -0.441 19149 1882 1 8 . 1 1 55 55 LEU N N 55 130.424 130.424 127.083 3.341 19149 1883 1 8 . 1 1 55 55 LEU HA H 55 4.204 4.204 4.076 0.128 19149 1884 1 8 . 1 1 55 55 LEU C C 55 175.177 175.177 175.626 -0.449 19149 1885 1 8 . 1 1 55 55 LEU CA C 55 54.828 54.828 55.717 -0.889 19149 1886 1 8 . 1 1 55 55 LEU CB C 55 39.921 39.921 41.845 -1.924 19149 1887 1 8 . 1 1 55 55 LEU H H 55 7.360 7.360 7.914 -0.554 19149 1888 1 8 . 1 1 56 56 CYS N N 56 125.442 125.442 124.988 0.454 19149 1889 1 8 . 1 1 56 56 CYS HA H 56 4.320 4.320 4.638 -0.318 19149 1890 1 8 . 1 1 56 56 CYS C C 56 176.862 176.862 175.215 1.647 19149 1891 1 8 . 1 1 56 56 CYS CA C 56 60.070 60.070 56.418 3.652 19149 1892 1 8 . 1 1 56 56 CYS CB C 56 29.274 29.274 30.159 -0.885 19149 1893 1 8 . 1 1 56 56 CYS H H 56 8.110 8.110 8.234 -0.124 19149 1894 1 8 . 1 1 57 57 ARG N N 57 120.000 120.000 122.360 -2.360 19149 1895 1 8 . 1 1 57 57 ARG HA H 57 4.007 4.007 4.019 -0.012 19149 1896 1 8 . 1 1 57 57 ARG C C 57 175.608 175.608 175.944 -0.336 19149 1897 1 8 . 1 1 57 57 ARG CA C 57 58.350 58.350 58.567 -0.217 19149 1898 1 8 . 1 1 57 57 ARG CB C 57 29.847 29.847 29.599 0.249 19149 1899 1 8 . 1 1 57 57 ARG H H 57 8.120 8.120 8.522 -0.402 19149 1900 1 8 . 1 1 58 58 ASN N N 58 114.879 114.879 117.043 -2.164 19149 1901 1 8 . 1 1 58 58 ASN HA H 58 4.627 4.627 4.726 -0.099 19149 1902 1 8 . 1 1 58 58 ASN C C 58 175.982 175.982 175.800 0.182 19149 1903 1 8 . 1 1 58 58 ASN CA C 58 52.453 52.453 52.629 -0.176 19149 1904 1 8 . 1 1 58 58 ASN CB C 58 37.546 37.546 38.189 -0.643 19149 1905 1 8 . 1 1 58 58 ASN H H 58 6.907 6.907 7.487 -0.580 19149 1906 1 8 . 1 1 59 59 GLY N N 59 107.258 107.258 107.409 -0.151 19149 1907 1 8 . 1 1 59 59 GLY C C 59 173.324 173.324 173.376 -0.052 19149 1908 1 8 . 1 1 59 59 GLY CA C 59 45.245 45.245 45.159 0.086 19149 1909 1 8 . 1 1 59 59 GLY H H 59 8.222 8.222 7.917 0.305 19149 1910 1 8 . 1 1 60 60 MET N N 60 118.147 118.147 118.731 -0.584 19149 1911 1 8 . 1 1 60 60 MET HA H 60 4.539 4.539 4.778 -0.239 19149 1912 1 8 . 1 1 60 60 MET C C 60 174.353 174.353 174.198 0.155 19149 1913 1 8 . 1 1 60 60 MET CA C 60 54.091 54.091 53.526 0.565 19149 1914 1 8 . 1 1 60 60 MET CB C 60 35.007 35.007 35.425 -0.418 19149 1915 1 8 . 1 1 60 60 MET H H 60 7.386 7.386 8.099 -0.713 19149 1916 1 8 . 1 1 61 61 GLU N N 61 121.830 121.830 122.001 -0.171 19149 1917 1 8 . 1 1 61 61 GLU HA H 61 4.519 4.519 4.391 0.128 19149 1918 1 8 . 1 1 61 61 GLU C C 61 176.637 176.637 176.738 -0.101 19149 1919 1 8 . 1 1 61 61 GLU CA C 61 56.876 56.876 56.726 0.150 19149 1920 1 8 . 1 1 61 61 GLU CB C 61 30.584 30.584 30.298 0.286 19149 1921 1 8 . 1 1 61 61 GLU H H 61 8.742 8.742 8.594 0.148 19149 1922 1 8 . 1 1 62 62 GLY N N 62 116.891 116.891 112.030 4.861 19149 1923 1 8 . 1 1 62 62 GLY C C 62 172.145 172.145 173.481 -1.336 19149 1924 1 8 . 1 1 62 62 GLY CA C 62 44.344 44.344 44.094 0.250 19149 1925 1 8 . 1 1 62 62 GLY H H 62 9.783 9.783 9.039 0.744 19149 1926 1 8 . 1 1 63 63 THR N N 63 116.976 116.976 121.065 -4.089 19149 1927 1 8 . 1 1 63 63 THR HA H 63 5.060 5.060 5.334 -0.274 19149 1928 1 8 . 1 1 63 63 THR C C 63 174.709 174.709 174.758 -0.049 19149 1929 1 8 . 1 1 63 63 THR CA C 63 62.036 62.036 61.915 0.121 19149 1930 1 8 . 1 1 63 63 THR CB C 63 71.128 71.128 70.168 0.960 19149 1931 1 8 . 1 1 63 63 THR H H 63 8.811 8.811 8.647 0.164 19149 1932 1 8 . 1 1 64 64 LEU N N 64 129.784 129.784 131.016 -1.232 19149 1933 1 8 . 1 1 64 64 LEU HA H 64 3.749 3.749 4.643 -0.894 19149 1934 1 8 . 1 1 64 64 LEU C C 64 176.581 176.581 176.301 0.280 19149 1935 1 8 . 1 1 64 64 LEU CA C 64 56.303 56.303 54.750 1.553 19149 1936 1 8 . 1 1 64 64 LEU CB C 64 43.198 43.198 42.260 0.938 19149 1937 1 8 . 1 1 64 64 LEU H H 64 8.178 8.178 9.026 -0.848 19149 1938 1 8 . 1 1 65 65 ILE N N 65 127.682 127.682 129.570 -1.888 19149 1939 1 8 . 1 1 65 65 ILE HA H 65 4.102 4.102 3.934 0.168 19149 1940 1 8 . 1 1 65 65 ILE C C 65 175.720 175.720 175.346 0.374 19149 1941 1 8 . 1 1 65 65 ILE CA C 65 61.381 61.381 63.479 -2.098 19149 1942 1 8 . 1 1 65 65 ILE CB C 65 38.611 38.611 36.659 1.952 19149 1943 1 8 . 1 1 65 65 ILE H H 65 8.713 8.713 8.158 0.555 19149 1944 1 8 . 1 1 66 66 GLU N N 66 126.115 126.115 121.677 4.438 19149 1945 1 8 . 1 1 66 66 GLU HA H 66 4.312 4.312 4.043 0.269 19149 1946 1 8 . 1 1 66 66 GLU C C 66 176.562 176.562 175.813 0.749 19149 1947 1 8 . 1 1 66 66 GLU CA C 66 56.630 56.630 56.963 -0.333 19149 1948 1 8 . 1 1 66 66 GLU CB C 66 31.076 31.076 27.077 3.999 19149 1949 1 8 . 1 1 66 66 GLU H H 66 8.392 8.392 8.757 -0.365 19149 1950 1 8 . 1 1 67 67 GLY N N 67 109.600 109.600 106.872 2.728 19149 1951 1 8 . 1 1 67 67 GLY C C 67 173.474 173.474 173.736 -0.262 19149 1952 1 8 . 1 1 67 67 GLY CA C 67 45.245 45.245 44.479 0.766 19149 1953 1 8 . 1 1 67 67 GLY H H 67 8.330 8.330 7.964 0.366 19149 1954 1 8 . 1 1 68 68 ASP N N 68 120.192 120.192 120.357 -0.165 19149 1955 1 8 . 1 1 68 68 ASP HA H 68 4.627 4.627 4.850 -0.223 19149 1956 1 8 . 1 1 68 68 ASP C C 68 175.926 175.926 174.842 1.084 19149 1957 1 8 . 1 1 68 68 ASP CA C 68 54.091 54.091 53.765 0.326 19149 1958 1 8 . 1 1 68 68 ASP CB C 68 41.396 41.396 42.800 -1.404 19149 1959 1 8 . 1 1 68 68 ASP H H 68 8.236 8.236 8.330 -0.094 19149 1960 1 8 . 1 1 69 69 LEU N N 69 123.225 123.225 126.313 -3.088 19149 1961 1 8 . 1 1 69 69 LEU HA H 69 4.608 4.608 4.831 -0.223 19149 1962 1 8 . 1 1 69 69 LEU C C 69 175.233 175.233 174.790 0.443 19149 1963 1 8 . 1 1 69 69 LEU CA C 69 53.190 53.190 51.350 1.840 19149 1964 1 8 . 1 1 69 69 LEU CB C 69 41.887 41.887 43.532 -1.645 19149 1965 1 8 . 1 1 69 69 LEU H H 69 8.130 8.130 8.385 -0.255 19149 1966 1 8 . 1 1 70 70 PRO HA H 70 4.421 4.421 4.504 -0.083 19149 1967 1 8 . 1 1 70 70 PRO CA C 70 63.224 63.224 63.163 0.061 19149 1968 1 8 . 1 1 70 70 PRO CB C 70 32.189 32.189 32.339 -0.150 19149 1969 1 9 . 1 1 27 27 ARG N N 27 120.668 120.668 120.062 0.606 19149 1970 1 9 . 1 1 27 27 ARG HA H 27 4.578 4.578 4.074 0.504 19149 1971 1 9 . 1 1 27 27 ARG C C 27 176.132 176.132 174.996 1.136 19149 1972 1 9 . 1 1 27 27 ARG CA C 27 55.893 55.893 57.189 -1.296 19149 1973 1 9 . 1 1 27 27 ARG CB C 27 31.813 31.813 28.937 2.876 19149 1974 1 9 . 1 1 27 27 ARG H H 27 8.320 8.320 8.593 -0.273 19149 1975 1 9 . 1 1 28 28 GLN N N 28 119.898 119.898 115.203 4.695 19149 1976 1 9 . 1 1 28 28 GLN HA H 28 4.608 4.608 4.471 0.137 19149 1977 1 9 . 1 1 28 28 GLN C C 28 174.372 174.372 173.802 0.570 19149 1978 1 9 . 1 1 28 28 GLN CA C 28 55.320 55.320 53.831 1.489 19149 1979 1 9 . 1 1 28 28 GLN CB C 28 31.403 31.403 31.681 -0.278 19149 1980 1 9 . 1 1 28 28 GLN H H 28 8.756 8.756 7.883 0.873 19149 1981 1 9 . 1 1 29 29 ILE N N 29 122.828 122.828 120.863 1.965 19149 1982 1 9 . 1 1 29 29 ILE HA H 29 4.598 4.598 4.134 0.464 19149 1983 1 9 . 1 1 29 29 ILE C C 29 175.158 175.158 175.356 -0.198 19149 1984 1 9 . 1 1 29 29 ILE CA C 29 59.825 59.825 60.260 -0.435 19149 1985 1 9 . 1 1 29 29 ILE CB C 29 38.857 38.857 38.515 0.342 19149 1986 1 9 . 1 1 29 29 ILE H H 29 8.433 8.433 8.353 0.080 19149 1987 1 9 . 1 1 30 30 ALA N N 30 131.643 131.643 131.554 0.089 19149 1988 1 9 . 1 1 30 30 ALA HA H 30 4.578 4.578 4.448 0.130 19149 1989 1 9 . 1 1 30 30 ALA C C 30 174.728 174.728 175.375 -0.647 19149 1990 1 9 . 1 1 30 30 ALA CA C 30 50.487 50.487 50.985 -0.498 19149 1991 1 9 . 1 1 30 30 ALA CB C 30 23.049 23.049 20.479 2.570 19149 1992 1 9 . 1 1 30 30 ALA H H 30 8.801 8.801 8.431 0.370 19149 1993 1 9 . 1 1 31 31 ARG N N 31 120.391 120.391 126.157 -5.766 19149 1994 1 9 . 1 1 31 31 ARG HA H 31 5.450 5.450 5.114 0.337 19149 1995 1 9 . 1 1 31 31 ARG C C 31 176.076 176.076 174.901 1.175 19149 1996 1 9 . 1 1 31 31 ARG CA C 31 54.400 54.400 54.740 -0.340 19149 1997 1 9 . 1 1 31 31 ARG CB C 31 33.400 33.400 32.000 1.400 19149 1998 1 9 . 1 1 31 31 ARG H H 31 8.285 8.285 8.369 -0.084 19149 1999 1 9 . 1 1 32 32 TYR N N 32 119.947 119.947 126.677 -6.730 19149 2000 1 9 . 1 1 32 32 TYR HA H 32 5.011 5.011 4.991 0.020 19149 2001 1 9 . 1 1 32 32 TYR C C 32 174.803 174.803 174.758 0.045 19149 2002 1 9 . 1 1 32 32 TYR CA C 32 57.286 57.286 56.867 0.419 19149 2003 1 9 . 1 1 32 32 TYR CB C 32 44.099 44.099 40.794 3.305 19149 2004 1 9 . 1 1 32 32 TYR H H 32 8.895 8.895 9.425 -0.530 19149 2005 1 9 . 1 1 33 33 ARG N N 33 121.071 121.071 124.855 -3.784 19149 2006 1 9 . 1 1 33 33 ARG HA H 33 5.818 5.818 5.081 0.737 19149 2007 1 9 . 1 1 33 33 ARG C C 33 177.873 177.873 176.767 1.106 19149 2008 1 9 . 1 1 33 33 ARG CA C 33 54.091 54.091 55.117 -1.026 19149 2009 1 9 . 1 1 33 33 ARG CB C 33 34.188 34.188 32.864 1.324 19149 2010 1 9 . 1 1 33 33 ARG H H 33 8.918 8.918 9.190 -0.272 19149 2011 1 9 . 1 1 34 34 THR N N 34 119.578 119.578 119.625 -0.047 19149 2012 1 9 . 1 1 34 34 THR HA H 34 5.060 5.060 4.472 0.588 19149 2013 1 9 . 1 1 34 34 THR C C 34 177.274 177.274 175.621 1.653 19149 2014 1 9 . 1 1 34 34 THR CA C 34 61.545 61.545 60.199 1.346 19149 2015 1 9 . 1 1 34 34 THR CB C 34 70.718 70.718 69.814 0.904 19149 2016 1 9 . 1 1 34 34 THR H H 34 9.583 9.583 8.669 0.914 19149 2017 1 9 . 1 1 35 35 ASP N N 35 120.797 120.797 120.178 0.619 19149 2018 1 9 . 1 1 35 35 ASP HA H 35 4.509 4.509 4.403 0.106 19149 2019 1 9 . 1 1 35 35 ASP C C 35 176.188 176.188 176.445 -0.257 19149 2020 1 9 . 1 1 35 35 ASP CA C 35 57.777 57.777 57.029 0.748 19149 2021 1 9 . 1 1 35 35 ASP CB C 35 40.741 40.741 40.840 -0.099 19149 2022 1 9 . 1 1 35 35 ASP H H 35 9.601 9.601 8.702 0.899 19149 2023 1 9 . 1 1 36 36 ASN N N 36 114.714 114.714 115.933 -1.219 19149 2024 1 9 . 1 1 36 36 ASN HA H 36 4.736 4.736 4.707 0.029 19149 2025 1 9 . 1 1 36 36 ASN C C 36 176.188 176.188 175.930 0.258 19149 2026 1 9 . 1 1 36 36 ASN CA C 36 52.617 52.617 53.230 -0.613 19149 2027 1 9 . 1 1 36 36 ASN CB C 36 37.792 37.792 38.112 -0.320 19149 2028 1 9 . 1 1 36 36 ASN H H 36 7.824 7.824 8.236 -0.412 19149 2029 1 9 . 1 1 37 37 GLY N N 37 108.692 108.692 109.120 -0.428 19149 2030 1 9 . 1 1 37 37 GLY C C 37 174.428 174.428 174.760 -0.332 19149 2031 1 9 . 1 1 37 37 GLY CA C 37 45.082 45.082 45.337 -0.255 19149 2032 1 9 . 1 1 37 37 GLY H H 37 8.520 8.520 7.980 0.540 19149 2033 1 9 . 1 1 38 38 GLU N N 38 120.618 120.618 122.354 -1.736 19149 2034 1 9 . 1 1 38 38 GLU HA H 38 4.135 4.135 4.369 -0.234 19149 2035 1 9 . 1 1 38 38 GLU C C 38 174.204 174.204 176.342 -2.138 19149 2036 1 9 . 1 1 38 38 GLU CA C 38 58.023 58.023 56.614 1.409 19149 2037 1 9 . 1 1 38 38 GLU CB C 38 31.239 31.239 30.513 0.726 19149 2038 1 9 . 1 1 38 38 GLU H H 38 7.159 7.159 8.353 -1.194 19149 2039 1 9 . 1 1 39 39 GLU N N 39 118.314 118.314 122.397 -4.083 19149 2040 1 9 . 1 1 39 39 GLU HA H 39 5.592 5.592 4.779 0.813 19149 2041 1 9 . 1 1 39 39 GLU C C 39 176.020 176.020 176.133 -0.113 19149 2042 1 9 . 1 1 39 39 GLU CA C 39 54.337 54.337 56.283 -1.946 19149 2043 1 9 . 1 1 39 39 GLU CB C 39 33.451 33.451 30.372 3.079 19149 2044 1 9 . 1 1 39 39 GLU H H 39 7.904 7.904 8.712 -0.808 19149 2045 1 9 . 1 1 40 40 PHE N N 40 119.679 119.679 125.802 -6.123 19149 2046 1 9 . 1 1 40 40 PHE HA H 40 4.736 4.736 4.727 0.009 19149 2047 1 9 . 1 1 40 40 PHE C C 40 174.410 174.410 174.581 -0.171 19149 2048 1 9 . 1 1 40 40 PHE CA C 40 57.695 57.695 56.468 1.226 19149 2049 1 9 . 1 1 40 40 PHE CB C 40 43.280 43.280 40.642 2.638 19149 2050 1 9 . 1 1 40 40 PHE H H 40 9.181 9.181 9.638 -0.457 19149 2051 1 9 . 1 1 41 41 GLU N N 41 121.828 121.828 125.017 -3.189 19149 2052 1 9 . 1 1 41 41 GLU HA H 41 5.080 5.080 5.208 -0.128 19149 2053 1 9 . 1 1 41 41 GLU C C 41 176.525 176.525 175.558 0.967 19149 2054 1 9 . 1 1 41 41 GLU CA C 41 55.565 55.565 54.001 1.565 19149 2055 1 9 . 1 1 41 41 GLU CB C 41 31.403 31.403 31.392 0.011 19149 2056 1 9 . 1 1 41 41 GLU H H 41 8.741 8.741 8.649 0.092 19149 2057 1 9 . 1 1 42 42 VAL N N 42 127.341 127.341 117.002 10.339 19149 2058 1 9 . 1 1 42 42 VAL HA H 42 4.495 4.495 4.334 0.161 19149 2059 1 9 . 1 1 42 42 VAL C C 42 172.949 172.949 173.228 -0.279 19149 2060 1 9 . 1 1 42 42 VAL CA C 42 59.415 59.415 58.649 0.766 19149 2061 1 9 . 1 1 42 42 VAL CB C 42 35.990 35.990 32.803 3.187 19149 2062 1 9 . 1 1 42 42 VAL H H 42 9.393 9.393 8.700 0.693 19149 2063 1 9 . 1 1 43 43 PRO HA H 43 5.179 5.179 4.580 0.599 19149 2064 1 9 . 1 1 43 43 PRO CA C 43 61.545 61.545 62.812 -1.267 19149 2065 1 9 . 1 1 43 43 PRO CB C 43 26.637 26.637 31.190 -4.553 19149 2066 1 9 . 1 1 44 44 PHE N N 44 119.921 119.921 125.465 -5.544 19149 2067 1 9 . 1 1 44 44 PHE HA H 44 4.568 4.568 4.569 -0.001 19149 2068 1 9 . 1 1 44 44 PHE C C 44 175.046 175.046 175.844 -0.798 19149 2069 1 9 . 1 1 44 44 PHE CA C 44 57.531 57.531 57.034 0.497 19149 2070 1 9 . 1 1 44 44 PHE CB C 44 44.017 44.017 40.825 3.192 19149 2071 1 9 . 1 1 44 44 PHE H H 44 8.901 8.901 8.116 0.785 19149 2072 1 9 . 1 1 45 45 ALA N N 45 123.051 123.051 123.294 -0.243 19149 2073 1 9 . 1 1 45 45 ALA HA H 45 4.460 4.460 4.397 0.063 19149 2074 1 9 . 1 1 45 45 ALA C C 45 178.378 178.378 178.267 0.111 19149 2075 1 9 . 1 1 45 45 ALA CA C 45 52.207 52.207 51.473 0.734 19149 2076 1 9 . 1 1 45 45 ALA CB C 45 19.609 19.609 20.005 -0.396 19149 2077 1 9 . 1 1 45 45 ALA H H 45 8.711 8.711 8.262 0.449 19149 2078 1 9 . 1 1 46 46 ASP N N 46 119.600 119.600 116.532 3.068 19149 2079 1 9 . 1 1 46 46 ASP HA H 46 4.312 4.312 4.492 -0.180 19149 2080 1 9 . 1 1 46 46 ASP C C 46 175.945 175.945 175.951 -0.006 19149 2081 1 9 . 1 1 46 46 ASP CA C 46 56.712 56.712 55.309 1.403 19149 2082 1 9 . 1 1 46 46 ASP CB C 46 40.904 40.904 40.792 0.112 19149 2083 1 9 . 1 1 46 46 ASP H H 46 8.592 8.592 8.638 -0.046 19149 2084 1 9 . 1 1 47 47 ASP N N 47 115.496 115.496 117.571 -2.075 19149 2085 1 9 . 1 1 47 47 ASP HA H 47 4.558 4.558 4.518 0.040 19149 2086 1 9 . 1 1 47 47 ASP C C 47 175.776 175.776 175.474 0.302 19149 2087 1 9 . 1 1 47 47 ASP CA C 47 53.272 53.272 53.665 -0.393 19149 2088 1 9 . 1 1 47 47 ASP CB C 47 40.167 40.167 40.648 -0.481 19149 2089 1 9 . 1 1 47 47 ASP H H 47 8.256 8.256 8.012 0.244 19149 2090 1 9 . 1 1 48 48 ALA N N 48 122.516 122.516 123.517 -1.001 19149 2091 1 9 . 1 1 48 48 ALA HA H 48 4.368 4.368 4.411 -0.043 19149 2092 1 9 . 1 1 48 48 ALA C C 48 177.405 177.405 176.814 0.591 19149 2093 1 9 . 1 1 48 48 ALA CA C 48 52.207 52.207 51.475 0.732 19149 2094 1 9 . 1 1 48 48 ALA CB C 48 20.510 20.510 20.611 -0.101 19149 2095 1 9 . 1 1 48 48 ALA H H 48 7.394 7.394 7.360 0.034 19149 2096 1 9 . 1 1 49 49 GLU N N 49 120.796 120.796 120.006 0.790 19149 2097 1 9 . 1 1 49 49 GLU HA H 49 4.211 4.211 4.370 -0.159 19149 2098 1 9 . 1 1 49 49 GLU C C 49 175.533 175.533 174.974 0.559 19149 2099 1 9 . 1 1 49 49 GLU CA C 49 55.647 55.647 55.479 0.168 19149 2100 1 9 . 1 1 49 49 GLU CB C 49 30.093 30.093 30.421 -0.328 19149 2101 1 9 . 1 1 49 49 GLU H H 49 8.227 8.227 8.274 -0.047 19149 2102 1 9 . 1 1 50 50 ILE N N 50 127.078 127.078 124.038 3.040 19149 2103 1 9 . 1 1 50 50 ILE HA H 50 3.474 3.474 4.463 -0.989 19149 2104 1 9 . 1 1 50 50 ILE C C 50 174.859 174.859 174.204 0.655 19149 2105 1 9 . 1 1 50 50 ILE CA C 50 58.105 58.105 57.145 0.960 19149 2106 1 9 . 1 1 50 50 ILE CB C 50 37.464 37.464 37.555 -0.091 19149 2107 1 9 . 1 1 50 50 ILE H H 50 8.179 8.179 8.363 -0.184 19149 2108 1 9 . 1 1 51 51 PRO HA H 51 4.716 4.716 4.757 -0.041 19149 2109 1 9 . 1 1 51 51 PRO C C 51 177.948 177.948 177.220 0.728 19149 2110 1 9 . 1 1 51 51 PRO CA C 51 62.364 62.364 62.238 0.126 19149 2111 1 9 . 1 1 51 51 PRO CB C 51 32.796 32.796 33.460 -0.664 19149 2112 1 9 . 1 1 52 52 GLY N N 52 107.298 107.298 106.027 1.271 19149 2113 1 9 . 1 1 52 52 GLY C C 52 174.410 174.410 173.186 1.224 19149 2114 1 9 . 1 1 52 52 GLY CA C 52 46.802 46.802 45.065 1.737 19149 2115 1 9 . 1 1 52 52 GLY H H 52 8.899 8.899 8.813 0.086 19149 2116 1 9 . 1 1 53 53 THR N N 53 110.516 110.516 110.451 0.065 19149 2117 1 9 . 1 1 53 53 THR HA H 53 5.645 5.645 5.865 -0.220 19149 2118 1 9 . 1 1 53 53 THR C C 53 172.781 172.781 173.306 -0.525 19149 2119 1 9 . 1 1 53 53 THR CA C 53 59.579 59.579 59.299 0.280 19149 2120 1 9 . 1 1 53 53 THR CB C 53 72.930 72.930 71.695 1.235 19149 2121 1 9 . 1 1 53 53 THR H H 53 7.661 7.661 7.722 -0.061 19149 2122 1 9 . 1 1 54 54 TRP N N 54 120.834 120.834 126.128 -5.294 19149 2123 1 9 . 1 1 54 54 TRP HA H 54 4.460 4.460 4.669 -0.209 19149 2124 1 9 . 1 1 54 54 TRP C C 54 174.222 174.222 173.452 0.770 19149 2125 1 9 . 1 1 54 54 TRP CA C 54 56.057 56.057 56.862 -0.805 19149 2126 1 9 . 1 1 54 54 TRP CB C 54 31.403 31.403 32.212 -0.810 19149 2127 1 9 . 1 1 54 54 TRP H H 54 8.161 8.161 8.777 -0.616 19149 2128 1 9 . 1 1 55 55 LEU N N 55 130.424 130.424 128.657 1.767 19149 2129 1 9 . 1 1 55 55 LEU HA H 55 4.204 4.204 4.188 0.016 19149 2130 1 9 . 1 1 55 55 LEU C C 55 175.177 175.177 175.225 -0.048 19149 2131 1 9 . 1 1 55 55 LEU CA C 55 54.828 54.828 55.139 -0.311 19149 2132 1 9 . 1 1 55 55 LEU CB C 55 39.921 39.921 41.045 -1.124 19149 2133 1 9 . 1 1 55 55 LEU H H 55 7.360 7.360 8.125 -0.765 19149 2134 1 9 . 1 1 56 56 CYS N N 56 125.442 125.442 127.498 -2.056 19149 2135 1 9 . 1 1 56 56 CYS HA H 56 4.320 4.320 4.735 -0.415 19149 2136 1 9 . 1 1 56 56 CYS C C 56 176.862 176.862 176.772 0.090 19149 2137 1 9 . 1 1 56 56 CYS CA C 56 60.070 60.070 57.364 2.706 19149 2138 1 9 . 1 1 56 56 CYS CB C 56 29.274 29.274 28.920 0.354 19149 2139 1 9 . 1 1 56 56 CYS H H 56 8.110 8.110 8.550 -0.440 19149 2140 1 9 . 1 1 57 57 ARG N N 57 120.000 120.000 122.834 -2.834 19149 2141 1 9 . 1 1 57 57 ARG HA H 57 4.007 4.007 4.148 -0.141 19149 2142 1 9 . 1 1 57 57 ARG C C 57 175.608 175.608 177.431 -1.823 19149 2143 1 9 . 1 1 57 57 ARG CA C 57 58.350 58.350 58.620 -0.270 19149 2144 1 9 . 1 1 57 57 ARG CB C 57 29.847 29.847 29.723 0.124 19149 2145 1 9 . 1 1 57 57 ARG H H 57 8.120 8.120 9.004 -0.884 19149 2146 1 9 . 1 1 58 58 ASN N N 58 114.879 114.879 116.058 -1.179 19149 2147 1 9 . 1 1 58 58 ASN HA H 58 4.627 4.627 4.651 -0.024 19149 2148 1 9 . 1 1 58 58 ASN C C 58 175.982 175.982 176.093 -0.111 19149 2149 1 9 . 1 1 58 58 ASN CA C 58 52.453 52.453 53.474 -1.021 19149 2150 1 9 . 1 1 58 58 ASN CB C 58 37.546 37.546 38.322 -0.776 19149 2151 1 9 . 1 1 58 58 ASN H H 58 6.907 6.907 7.797 -0.890 19149 2152 1 9 . 1 1 59 59 GLY N N 59 107.258 107.258 106.323 0.935 19149 2153 1 9 . 1 1 59 59 GLY C C 59 173.324 173.324 173.360 -0.036 19149 2154 1 9 . 1 1 59 59 GLY CA C 59 45.245 45.245 45.087 0.158 19149 2155 1 9 . 1 1 59 59 GLY H H 59 8.222 8.222 7.955 0.267 19149 2156 1 9 . 1 1 60 60 MET N N 60 118.147 118.147 119.146 -0.999 19149 2157 1 9 . 1 1 60 60 MET HA H 60 4.539 4.539 4.661 -0.122 19149 2158 1 9 . 1 1 60 60 MET C C 60 174.353 174.353 174.721 -0.368 19149 2159 1 9 . 1 1 60 60 MET CA C 60 54.091 54.091 53.004 1.087 19149 2160 1 9 . 1 1 60 60 MET CB C 60 35.007 35.007 34.612 0.395 19149 2161 1 9 . 1 1 60 60 MET H H 60 7.386 7.386 7.477 -0.091 19149 2162 1 9 . 1 1 61 61 GLU N N 61 121.830 121.830 124.583 -2.753 19149 2163 1 9 . 1 1 61 61 GLU HA H 61 4.519 4.519 4.276 0.243 19149 2164 1 9 . 1 1 61 61 GLU C C 61 176.637 176.637 176.615 0.022 19149 2165 1 9 . 1 1 61 61 GLU CA C 61 56.876 56.876 56.651 0.225 19149 2166 1 9 . 1 1 61 61 GLU CB C 61 30.584 30.584 28.722 1.862 19149 2167 1 9 . 1 1 61 61 GLU H H 61 8.742 8.742 8.695 0.047 19149 2168 1 9 . 1 1 62 62 GLY N N 62 116.891 116.891 113.165 3.726 19149 2169 1 9 . 1 1 62 62 GLY C C 62 172.145 172.145 173.155 -1.010 19149 2170 1 9 . 1 1 62 62 GLY CA C 62 44.344 44.344 44.483 -0.139 19149 2171 1 9 . 1 1 62 62 GLY H H 62 9.783 9.783 8.549 1.234 19149 2172 1 9 . 1 1 63 63 THR N N 63 116.976 116.976 119.460 -2.484 19149 2173 1 9 . 1 1 63 63 THR HA H 63 5.060 5.060 5.452 -0.392 19149 2174 1 9 . 1 1 63 63 THR C C 63 174.709 174.709 174.276 0.433 19149 2175 1 9 . 1 1 63 63 THR CA C 63 62.036 62.036 61.028 1.008 19149 2176 1 9 . 1 1 63 63 THR CB C 63 71.128 71.128 71.361 -0.233 19149 2177 1 9 . 1 1 63 63 THR H H 63 8.811 8.811 8.319 0.492 19149 2178 1 9 . 1 1 64 64 LEU N N 64 129.784 129.784 130.089 -0.305 19149 2179 1 9 . 1 1 64 64 LEU HA H 64 3.749 3.749 5.019 -1.270 19149 2180 1 9 . 1 1 64 64 LEU C C 64 176.581 176.581 176.426 0.155 19149 2181 1 9 . 1 1 64 64 LEU CA C 64 56.303 56.303 53.993 2.310 19149 2182 1 9 . 1 1 64 64 LEU CB C 64 43.198 43.198 43.128 0.070 19149 2183 1 9 . 1 1 64 64 LEU H H 64 8.178 8.178 8.234 -0.056 19149 2184 1 9 . 1 1 65 65 ILE N N 65 127.682 127.682 127.881 -0.199 19149 2185 1 9 . 1 1 65 65 ILE HA H 65 4.102 4.102 3.874 0.228 19149 2186 1 9 . 1 1 65 65 ILE C C 65 175.720 175.720 175.259 0.461 19149 2187 1 9 . 1 1 65 65 ILE CA C 65 61.381 61.381 62.918 -1.537 19149 2188 1 9 . 1 1 65 65 ILE CB C 65 38.611 38.611 36.727 1.884 19149 2189 1 9 . 1 1 65 65 ILE H H 65 8.713 8.713 7.972 0.741 19149 2190 1 9 . 1 1 66 66 GLU N N 66 126.115 126.115 122.491 3.624 19149 2191 1 9 . 1 1 66 66 GLU HA H 66 4.312 4.312 4.068 0.244 19149 2192 1 9 . 1 1 66 66 GLU C C 66 176.562 176.562 175.396 1.166 19149 2193 1 9 . 1 1 66 66 GLU CA C 66 56.630 56.630 56.983 -0.353 19149 2194 1 9 . 1 1 66 66 GLU CB C 66 31.076 31.076 27.003 4.073 19149 2195 1 9 . 1 1 66 66 GLU H H 66 8.392 8.392 8.686 -0.294 19149 2196 1 9 . 1 1 67 67 GLY N N 67 109.600 109.600 107.060 2.540 19149 2197 1 9 . 1 1 67 67 GLY C C 67 173.474 173.474 173.442 0.032 19149 2198 1 9 . 1 1 67 67 GLY CA C 67 45.245 45.245 44.525 0.720 19149 2199 1 9 . 1 1 67 67 GLY H H 67 8.330 8.330 7.818 0.512 19149 2200 1 9 . 1 1 68 68 ASP N N 68 120.192 120.192 119.790 0.402 19149 2201 1 9 . 1 1 68 68 ASP HA H 68 4.627 4.627 4.703 -0.076 19149 2202 1 9 . 1 1 68 68 ASP C C 68 175.926 175.926 175.506 0.420 19149 2203 1 9 . 1 1 68 68 ASP CA C 68 54.091 54.091 53.716 0.375 19149 2204 1 9 . 1 1 68 68 ASP CB C 68 41.396 41.396 42.712 -1.316 19149 2205 1 9 . 1 1 68 68 ASP H H 68 8.236 8.236 8.229 0.007 19149 2206 1 9 . 1 1 69 69 LEU N N 69 123.225 123.225 126.714 -3.489 19149 2207 1 9 . 1 1 69 69 LEU HA H 69 4.608 4.608 4.744 -0.136 19149 2208 1 9 . 1 1 69 69 LEU C C 69 175.233 175.233 175.053 0.180 19149 2209 1 9 . 1 1 69 69 LEU CA C 69 53.190 53.190 51.842 1.348 19149 2210 1 9 . 1 1 69 69 LEU CB C 69 41.887 41.887 42.232 -0.345 19149 2211 1 9 . 1 1 69 69 LEU H H 69 8.130 8.130 8.285 -0.155 19149 2212 1 9 . 1 1 70 70 PRO HA H 70 4.421 4.421 4.558 -0.137 19149 2213 1 9 . 1 1 70 70 PRO CA C 70 63.224 63.224 62.752 0.472 19149 2214 1 9 . 1 1 70 70 PRO CB C 70 32.189 32.189 32.441 -0.252 19149 2215 1 10 . 1 1 27 27 ARG N N 27 120.668 120.668 120.593 0.075 19149 2216 1 10 . 1 1 27 27 ARG HA H 27 4.578 4.578 4.760 -0.182 19149 2217 1 10 . 1 1 27 27 ARG C C 27 176.132 176.132 174.806 1.326 19149 2218 1 10 . 1 1 27 27 ARG CA C 27 55.893 55.893 56.241 -0.348 19149 2219 1 10 . 1 1 27 27 ARG CB C 27 31.813 31.813 31.623 0.190 19149 2220 1 10 . 1 1 27 27 ARG H H 27 8.320 8.320 8.372 -0.052 19149 2221 1 10 . 1 1 28 28 GLN N N 28 119.898 119.898 123.383 -3.485 19149 2222 1 10 . 1 1 28 28 GLN HA H 28 4.608 4.608 4.641 -0.033 19149 2223 1 10 . 1 1 28 28 GLN C C 28 174.372 174.372 174.688 -0.316 19149 2224 1 10 . 1 1 28 28 GLN CA C 28 55.320 55.320 54.154 1.166 19149 2225 1 10 . 1 1 28 28 GLN CB C 28 31.403 31.403 31.014 0.389 19149 2226 1 10 . 1 1 28 28 GLN H H 28 8.756 8.756 8.201 0.555 19149 2227 1 10 . 1 1 29 29 ILE N N 29 122.828 122.828 123.180 -0.352 19149 2228 1 10 . 1 1 29 29 ILE HA H 29 4.598 4.598 4.486 0.112 19149 2229 1 10 . 1 1 29 29 ILE C C 29 175.158 175.158 176.113 -0.955 19149 2230 1 10 . 1 1 29 29 ILE CA C 29 59.825 59.825 60.577 -0.752 19149 2231 1 10 . 1 1 29 29 ILE CB C 29 38.857 38.857 38.208 0.649 19149 2232 1 10 . 1 1 29 29 ILE H H 29 8.433 8.433 8.575 -0.142 19149 2233 1 10 . 1 1 30 30 ALA N N 30 131.643 131.643 132.822 -1.179 19149 2234 1 10 . 1 1 30 30 ALA HA H 30 4.578 4.578 4.572 0.006 19149 2235 1 10 . 1 1 30 30 ALA C C 30 174.728 174.728 175.415 -0.687 19149 2236 1 10 . 1 1 30 30 ALA CA C 30 50.487 50.487 50.749 -0.262 19149 2237 1 10 . 1 1 30 30 ALA CB C 30 23.049 23.049 20.608 2.441 19149 2238 1 10 . 1 1 30 30 ALA H H 30 8.801 8.801 8.876 -0.075 19149 2239 1 10 . 1 1 31 31 ARG N N 31 120.391 120.391 119.907 0.484 19149 2240 1 10 . 1 1 31 31 ARG HA H 31 5.450 5.450 5.248 0.202 19149 2241 1 10 . 1 1 31 31 ARG C C 31 176.076 176.076 175.193 0.883 19149 2242 1 10 . 1 1 31 31 ARG CA C 31 54.400 54.400 54.975 -0.575 19149 2243 1 10 . 1 1 31 31 ARG CB C 31 33.400 33.400 31.677 1.724 19149 2244 1 10 . 1 1 31 31 ARG H H 31 8.285 8.285 8.330 -0.045 19149 2245 1 10 . 1 1 32 32 TYR N N 32 119.947 119.947 124.261 -4.314 19149 2246 1 10 . 1 1 32 32 TYR HA H 32 5.011 5.011 4.871 0.140 19149 2247 1 10 . 1 1 32 32 TYR C C 32 174.803 174.803 174.348 0.455 19149 2248 1 10 . 1 1 32 32 TYR CA C 32 57.286 57.286 57.884 -0.598 19149 2249 1 10 . 1 1 32 32 TYR CB C 32 44.099 44.099 39.779 4.320 19149 2250 1 10 . 1 1 32 32 TYR H H 32 8.895 8.895 8.825 0.070 19149 2251 1 10 . 1 1 33 33 ARG N N 33 121.071 121.071 126.760 -5.689 19149 2252 1 10 . 1 1 33 33 ARG HA H 33 5.818 5.818 5.331 0.487 19149 2253 1 10 . 1 1 33 33 ARG C C 33 177.873 177.873 177.001 0.872 19149 2254 1 10 . 1 1 33 33 ARG CA C 33 54.091 54.091 54.570 -0.479 19149 2255 1 10 . 1 1 33 33 ARG CB C 33 34.188 34.188 33.191 0.997 19149 2256 1 10 . 1 1 33 33 ARG H H 33 8.918 8.918 9.357 -0.439 19149 2257 1 10 . 1 1 34 34 THR N N 34 119.578 119.578 119.504 0.074 19149 2258 1 10 . 1 1 34 34 THR HA H 34 5.060 5.060 4.502 0.558 19149 2259 1 10 . 1 1 34 34 THR C C 34 177.274 177.274 175.289 1.985 19149 2260 1 10 . 1 1 34 34 THR CA C 34 61.545 61.545 62.072 -0.527 19149 2261 1 10 . 1 1 34 34 THR CB C 34 70.718 70.718 69.960 0.758 19149 2262 1 10 . 1 1 34 34 THR H H 34 9.583 9.583 9.144 0.439 19149 2263 1 10 . 1 1 35 35 ASP N N 35 120.797 120.797 123.477 -2.680 19149 2264 1 10 . 1 1 35 35 ASP HA H 35 4.509 4.509 4.547 -0.038 19149 2265 1 10 . 1 1 35 35 ASP C C 35 176.188 176.188 177.182 -0.994 19149 2266 1 10 . 1 1 35 35 ASP CA C 35 57.777 57.777 56.022 1.755 19149 2267 1 10 . 1 1 35 35 ASP CB C 35 40.741 40.741 40.869 -0.128 19149 2268 1 10 . 1 1 35 35 ASP H H 35 9.601 9.601 8.621 0.980 19149 2269 1 10 . 1 1 36 36 ASN N N 36 114.714 114.714 116.852 -2.138 19149 2270 1 10 . 1 1 36 36 ASN HA H 36 4.736 4.736 4.631 0.105 19149 2271 1 10 . 1 1 36 36 ASN C C 36 176.188 176.188 176.315 -0.127 19149 2272 1 10 . 1 1 36 36 ASN CA C 36 52.617 52.617 53.580 -0.963 19149 2273 1 10 . 1 1 36 36 ASN CB C 36 37.792 37.792 39.376 -1.584 19149 2274 1 10 . 1 1 36 36 ASN H H 36 7.824 7.824 8.021 -0.197 19149 2275 1 10 . 1 1 37 37 GLY N N 37 108.692 108.692 105.849 2.843 19149 2276 1 10 . 1 1 37 37 GLY C C 37 174.428 174.428 174.162 0.266 19149 2277 1 10 . 1 1 37 37 GLY CA C 37 45.082 45.082 44.803 0.279 19149 2278 1 10 . 1 1 37 37 GLY H H 37 8.520 8.520 8.107 0.413 19149 2279 1 10 . 1 1 38 38 GLU N N 38 120.618 120.618 121.989 -1.371 19149 2280 1 10 . 1 1 38 38 GLU HA H 38 4.135 4.135 4.531 -0.396 19149 2281 1 10 . 1 1 38 38 GLU C C 38 174.204 174.204 175.591 -1.387 19149 2282 1 10 . 1 1 38 38 GLU CA C 38 58.023 58.023 54.892 3.131 19149 2283 1 10 . 1 1 38 38 GLU CB C 38 31.239 31.239 30.534 0.705 19149 2284 1 10 . 1 1 38 38 GLU H H 38 7.159 7.159 7.938 -0.779 19149 2285 1 10 . 1 1 39 39 GLU N N 39 118.314 118.314 121.967 -3.653 19149 2286 1 10 . 1 1 39 39 GLU HA H 39 5.592 5.592 4.588 1.004 19149 2287 1 10 . 1 1 39 39 GLU C C 39 176.020 176.020 175.459 0.561 19149 2288 1 10 . 1 1 39 39 GLU CA C 39 54.337 54.337 55.533 -1.196 19149 2289 1 10 . 1 1 39 39 GLU CB C 39 33.451 33.451 30.975 2.476 19149 2290 1 10 . 1 1 39 39 GLU H H 39 7.904 7.904 8.599 -0.695 19149 2291 1 10 . 1 1 40 40 PHE N N 40 119.679 119.679 122.235 -2.556 19149 2292 1 10 . 1 1 40 40 PHE HA H 40 4.736 4.736 4.849 -0.113 19149 2293 1 10 . 1 1 40 40 PHE C C 40 174.410 174.410 174.464 -0.054 19149 2294 1 10 . 1 1 40 40 PHE CA C 40 57.695 57.695 56.983 0.712 19149 2295 1 10 . 1 1 40 40 PHE CB C 40 43.280 43.280 42.582 0.698 19149 2296 1 10 . 1 1 40 40 PHE H H 40 9.181 9.181 8.870 0.311 19149 2297 1 10 . 1 1 41 41 GLU N N 41 121.828 121.828 123.579 -1.751 19149 2298 1 10 . 1 1 41 41 GLU HA H 41 5.080 5.080 5.409 -0.329 19149 2299 1 10 . 1 1 41 41 GLU C C 41 176.525 176.525 175.833 0.692 19149 2300 1 10 . 1 1 41 41 GLU CA C 41 55.565 55.565 54.714 0.851 19149 2301 1 10 . 1 1 41 41 GLU CB C 41 31.403 31.403 31.639 -0.236 19149 2302 1 10 . 1 1 41 41 GLU H H 41 8.741 8.741 8.715 0.026 19149 2303 1 10 . 1 1 42 42 VAL N N 42 127.341 127.341 116.447 10.894 19149 2304 1 10 . 1 1 42 42 VAL HA H 42 4.495 4.495 4.516 -0.021 19149 2305 1 10 . 1 1 42 42 VAL C C 42 172.949 172.949 173.234 -0.285 19149 2306 1 10 . 1 1 42 42 VAL CA C 42 59.415 59.415 58.441 0.974 19149 2307 1 10 . 1 1 42 42 VAL CB C 42 35.990 35.990 33.307 2.683 19149 2308 1 10 . 1 1 42 42 VAL H H 42 9.393 9.393 8.449 0.944 19149 2309 1 10 . 1 1 43 43 PRO HA H 43 5.179 5.179 4.681 0.498 19149 2310 1 10 . 1 1 43 43 PRO CA C 43 61.545 61.545 62.742 -1.197 19149 2311 1 10 . 1 1 43 43 PRO CB C 43 26.637 26.637 30.997 -4.359 19149 2312 1 10 . 1 1 44 44 PHE N N 44 119.921 119.921 125.476 -5.555 19149 2313 1 10 . 1 1 44 44 PHE HA H 44 4.568 4.568 4.610 -0.042 19149 2314 1 10 . 1 1 44 44 PHE C C 44 175.046 175.046 175.243 -0.197 19149 2315 1 10 . 1 1 44 44 PHE CA C 44 57.531 57.531 56.921 0.610 19149 2316 1 10 . 1 1 44 44 PHE CB C 44 44.017 44.017 41.662 2.355 19149 2317 1 10 . 1 1 44 44 PHE H H 44 8.901 8.901 8.796 0.105 19149 2318 1 10 . 1 1 45 45 ALA N N 45 123.051 123.051 122.372 0.679 19149 2319 1 10 . 1 1 45 45 ALA HA H 45 4.460 4.460 4.271 0.189 19149 2320 1 10 . 1 1 45 45 ALA C C 45 178.378 178.378 178.185 0.193 19149 2321 1 10 . 1 1 45 45 ALA CA C 45 52.207 52.207 51.552 0.655 19149 2322 1 10 . 1 1 45 45 ALA CB C 45 19.609 19.609 20.157 -0.548 19149 2323 1 10 . 1 1 45 45 ALA H H 45 8.711 8.711 8.326 0.385 19149 2324 1 10 . 1 1 46 46 ASP N N 46 119.600 119.600 119.580 0.020 19149 2325 1 10 . 1 1 46 46 ASP HA H 46 4.312 4.312 4.447 -0.135 19149 2326 1 10 . 1 1 46 46 ASP C C 46 175.945 175.945 176.567 -0.622 19149 2327 1 10 . 1 1 46 46 ASP CA C 46 56.712 56.712 55.961 0.751 19149 2328 1 10 . 1 1 46 46 ASP CB C 46 40.904 40.904 41.074 -0.170 19149 2329 1 10 . 1 1 46 46 ASP H H 46 8.592 8.592 8.451 0.141 19149 2330 1 10 . 1 1 47 47 ASP N N 47 115.496 115.496 117.955 -2.459 19149 2331 1 10 . 1 1 47 47 ASP HA H 47 4.558 4.558 4.587 -0.029 19149 2332 1 10 . 1 1 47 47 ASP C C 47 175.776 175.776 175.494 0.282 19149 2333 1 10 . 1 1 47 47 ASP CA C 47 53.272 53.272 55.048 -1.776 19149 2334 1 10 . 1 1 47 47 ASP CB C 47 40.167 40.167 40.968 -0.801 19149 2335 1 10 . 1 1 47 47 ASP H H 47 8.256 8.256 8.486 -0.230 19149 2336 1 10 . 1 1 48 48 ALA N N 48 122.516 122.516 122.645 -0.129 19149 2337 1 10 . 1 1 48 48 ALA HA H 48 4.368 4.368 4.503 -0.135 19149 2338 1 10 . 1 1 48 48 ALA C C 48 177.405 177.405 176.195 1.210 19149 2339 1 10 . 1 1 48 48 ALA CA C 48 52.207 52.207 51.239 0.968 19149 2340 1 10 . 1 1 48 48 ALA CB C 48 20.510 20.510 20.657 -0.147 19149 2341 1 10 . 1 1 48 48 ALA H H 48 7.394 7.394 7.262 0.132 19149 2342 1 10 . 1 1 49 49 GLU N N 49 120.796 120.796 120.999 -0.203 19149 2343 1 10 . 1 1 49 49 GLU HA H 49 4.211 4.211 4.419 -0.208 19149 2344 1 10 . 1 1 49 49 GLU C C 49 175.533 175.533 175.124 0.409 19149 2345 1 10 . 1 1 49 49 GLU CA C 49 55.647 55.647 55.778 -0.131 19149 2346 1 10 . 1 1 49 49 GLU CB C 49 30.093 30.093 30.550 -0.457 19149 2347 1 10 . 1 1 49 49 GLU H H 49 8.227 8.227 8.321 -0.094 19149 2348 1 10 . 1 1 50 50 ILE N N 50 127.078 127.078 124.017 3.061 19149 2349 1 10 . 1 1 50 50 ILE HA H 50 3.474 3.474 4.315 -0.841 19149 2350 1 10 . 1 1 50 50 ILE C C 50 174.859 174.859 174.632 0.227 19149 2351 1 10 . 1 1 50 50 ILE CA C 50 58.105 58.105 56.572 1.533 19149 2352 1 10 . 1 1 50 50 ILE CB C 50 37.464 37.464 37.003 0.461 19149 2353 1 10 . 1 1 50 50 ILE H H 50 8.179 8.179 8.315 -0.136 19149 2354 1 10 . 1 1 51 51 PRO HA H 51 4.716 4.716 4.897 -0.181 19149 2355 1 10 . 1 1 51 51 PRO C C 51 177.948 177.948 177.089 0.859 19149 2356 1 10 . 1 1 51 51 PRO CA C 51 62.364 62.364 61.855 0.509 19149 2357 1 10 . 1 1 51 51 PRO CB C 51 32.796 32.796 33.211 -0.415 19149 2358 1 10 . 1 1 52 52 GLY N N 52 107.298 107.298 105.969 1.329 19149 2359 1 10 . 1 1 52 52 GLY C C 52 174.410 174.410 173.444 0.966 19149 2360 1 10 . 1 1 52 52 GLY CA C 52 46.802 46.802 45.386 1.416 19149 2361 1 10 . 1 1 52 52 GLY H H 52 8.899 8.899 8.741 0.158 19149 2362 1 10 . 1 1 53 53 THR N N 53 110.516 110.516 109.930 0.586 19149 2363 1 10 . 1 1 53 53 THR HA H 53 5.645 5.645 5.794 -0.149 19149 2364 1 10 . 1 1 53 53 THR C C 53 172.781 172.781 173.243 -0.462 19149 2365 1 10 . 1 1 53 53 THR CA C 53 59.579 59.579 60.066 -0.487 19149 2366 1 10 . 1 1 53 53 THR CB C 53 72.930 72.930 71.996 0.934 19149 2367 1 10 . 1 1 53 53 THR H H 53 7.661 7.661 7.596 0.065 19149 2368 1 10 . 1 1 54 54 TRP N N 54 120.834 120.834 127.255 -6.421 19149 2369 1 10 . 1 1 54 54 TRP HA H 54 4.460 4.460 4.627 -0.167 19149 2370 1 10 . 1 1 54 54 TRP C C 54 174.222 174.222 173.189 1.033 19149 2371 1 10 . 1 1 54 54 TRP CA C 54 56.057 56.057 56.530 -0.473 19149 2372 1 10 . 1 1 54 54 TRP CB C 54 31.403 31.403 32.189 -0.786 19149 2373 1 10 . 1 1 54 54 TRP H H 54 8.161 8.161 8.599 -0.438 19149 2374 1 10 . 1 1 55 55 LEU N N 55 130.424 130.424 127.567 2.857 19149 2375 1 10 . 1 1 55 55 LEU HA H 55 4.204 4.204 4.008 0.196 19149 2376 1 10 . 1 1 55 55 LEU C C 55 175.177 175.177 175.490 -0.313 19149 2377 1 10 . 1 1 55 55 LEU CA C 55 54.828 54.828 55.946 -1.118 19149 2378 1 10 . 1 1 55 55 LEU CB C 55 39.921 39.921 41.645 -1.724 19149 2379 1 10 . 1 1 55 55 LEU H H 55 7.360 7.360 7.772 -0.412 19149 2380 1 10 . 1 1 56 56 CYS N N 56 125.442 125.442 126.610 -1.168 19149 2381 1 10 . 1 1 56 56 CYS HA H 56 4.320 4.320 4.580 -0.260 19149 2382 1 10 . 1 1 56 56 CYS C C 56 176.862 176.862 175.873 0.989 19149 2383 1 10 . 1 1 56 56 CYS CA C 56 60.070 60.070 56.439 3.631 19149 2384 1 10 . 1 1 56 56 CYS CB C 56 29.274 29.274 29.764 -0.490 19149 2385 1 10 . 1 1 56 56 CYS H H 56 8.110 8.110 8.328 -0.218 19149 2386 1 10 . 1 1 57 57 ARG N N 57 120.000 120.000 123.261 -3.261 19149 2387 1 10 . 1 1 57 57 ARG HA H 57 4.007 4.007 4.165 -0.158 19149 2388 1 10 . 1 1 57 57 ARG C C 57 175.608 175.608 176.093 -0.485 19149 2389 1 10 . 1 1 57 57 ARG CA C 57 58.350 58.350 58.023 0.327 19149 2390 1 10 . 1 1 57 57 ARG CB C 57 29.847 29.847 29.266 0.581 19149 2391 1 10 . 1 1 57 57 ARG H H 57 8.120 8.120 8.741 -0.621 19149 2392 1 10 . 1 1 58 58 ASN N N 58 114.879 114.879 115.235 -0.356 19149 2393 1 10 . 1 1 58 58 ASN HA H 58 4.627 4.627 4.781 -0.154 19149 2394 1 10 . 1 1 58 58 ASN C C 58 175.982 175.982 176.034 -0.052 19149 2395 1 10 . 1 1 58 58 ASN CA C 58 52.453 52.453 52.766 -0.313 19149 2396 1 10 . 1 1 58 58 ASN CB C 58 37.546 37.546 37.977 -0.431 19149 2397 1 10 . 1 1 58 58 ASN H H 58 6.907 6.907 7.526 -0.619 19149 2398 1 10 . 1 1 59 59 GLY N N 59 107.258 107.258 109.426 -2.168 19149 2399 1 10 . 1 1 59 59 GLY C C 59 173.324 173.324 173.082 0.242 19149 2400 1 10 . 1 1 59 59 GLY CA C 59 45.245 45.245 45.049 0.196 19149 2401 1 10 . 1 1 59 59 GLY H H 59 8.222 8.222 8.173 0.049 19149 2402 1 10 . 1 1 60 60 MET N N 60 118.147 118.147 119.718 -1.571 19149 2403 1 10 . 1 1 60 60 MET HA H 60 4.539 4.539 4.694 -0.155 19149 2404 1 10 . 1 1 60 60 MET C C 60 174.353 174.353 174.419 -0.066 19149 2405 1 10 . 1 1 60 60 MET CA C 60 54.091 54.091 54.426 -0.335 19149 2406 1 10 . 1 1 60 60 MET CB C 60 35.007 35.007 35.162 -0.155 19149 2407 1 10 . 1 1 60 60 MET H H 60 7.386 7.386 7.654 -0.268 19149 2408 1 10 . 1 1 61 61 GLU N N 61 121.830 121.830 126.433 -4.603 19149 2409 1 10 . 1 1 61 61 GLU HA H 61 4.519 4.519 4.292 0.227 19149 2410 1 10 . 1 1 61 61 GLU C C 61 176.637 176.637 176.517 0.120 19149 2411 1 10 . 1 1 61 61 GLU CA C 61 56.876 56.876 56.214 0.662 19149 2412 1 10 . 1 1 61 61 GLU CB C 61 30.584 30.584 29.178 1.406 19149 2413 1 10 . 1 1 61 61 GLU H H 61 8.742 8.742 8.769 -0.027 19149 2414 1 10 . 1 1 62 62 GLY N N 62 116.891 116.891 112.883 4.008 19149 2415 1 10 . 1 1 62 62 GLY C C 62 172.145 172.145 173.676 -1.531 19149 2416 1 10 . 1 1 62 62 GLY CA C 62 44.344 44.344 45.007 -0.663 19149 2417 1 10 . 1 1 62 62 GLY H H 62 9.783 9.783 8.250 1.533 19149 2418 1 10 . 1 1 63 63 THR N N 63 116.976 116.976 119.092 -2.116 19149 2419 1 10 . 1 1 63 63 THR HA H 63 5.060 5.060 5.387 -0.327 19149 2420 1 10 . 1 1 63 63 THR C C 63 174.709 174.709 174.689 0.020 19149 2421 1 10 . 1 1 63 63 THR CA C 63 62.036 62.036 61.960 0.076 19149 2422 1 10 . 1 1 63 63 THR CB C 63 71.128 71.128 70.866 0.262 19149 2423 1 10 . 1 1 63 63 THR H H 63 8.811 8.811 8.566 0.245 19149 2424 1 10 . 1 1 64 64 LEU N N 64 129.784 129.784 130.243 -0.459 19149 2425 1 10 . 1 1 64 64 LEU HA H 64 3.749 3.749 5.098 -1.349 19149 2426 1 10 . 1 1 64 64 LEU C C 64 176.581 176.581 176.482 0.099 19149 2427 1 10 . 1 1 64 64 LEU CA C 64 56.303 56.303 54.931 1.373 19149 2428 1 10 . 1 1 64 64 LEU CB C 64 43.198 43.198 42.800 0.398 19149 2429 1 10 . 1 1 64 64 LEU H H 64 8.178 8.178 8.884 -0.706 19149 2430 1 10 . 1 1 65 65 ILE N N 65 127.682 127.682 127.553 0.129 19149 2431 1 10 . 1 1 65 65 ILE HA H 65 4.102 4.102 3.959 0.143 19149 2432 1 10 . 1 1 65 65 ILE C C 65 175.720 175.720 175.435 0.285 19149 2433 1 10 . 1 1 65 65 ILE CA C 65 61.381 61.381 62.276 -0.895 19149 2434 1 10 . 1 1 65 65 ILE CB C 65 38.611 38.611 37.409 1.202 19149 2435 1 10 . 1 1 65 65 ILE H H 65 8.713 8.713 8.161 0.552 19149 2436 1 10 . 1 1 66 66 GLU N N 66 126.115 126.115 123.538 2.577 19149 2437 1 10 . 1 1 66 66 GLU HA H 66 4.312 4.312 4.056 0.256 19149 2438 1 10 . 1 1 66 66 GLU C C 66 176.562 176.562 175.160 1.402 19149 2439 1 10 . 1 1 66 66 GLU CA C 66 56.630 56.630 56.940 -0.310 19149 2440 1 10 . 1 1 66 66 GLU CB C 66 31.076 31.076 28.173 2.903 19149 2441 1 10 . 1 1 66 66 GLU H H 66 8.392 8.392 8.931 -0.539 19149 2442 1 10 . 1 1 67 67 GLY N N 67 109.600 109.600 109.677 -0.077 19149 2443 1 10 . 1 1 67 67 GLY C C 67 173.474 173.474 172.771 0.703 19149 2444 1 10 . 1 1 67 67 GLY CA C 67 45.245 45.245 44.529 0.716 19149 2445 1 10 . 1 1 67 67 GLY H H 67 8.330 8.330 8.328 0.002 19149 2446 1 10 . 1 1 68 68 ASP N N 68 120.192 120.192 119.816 0.376 19149 2447 1 10 . 1 1 68 68 ASP HA H 68 4.627 4.627 4.907 -0.280 19149 2448 1 10 . 1 1 68 68 ASP C C 68 175.926 175.926 176.114 -0.188 19149 2449 1 10 . 1 1 68 68 ASP CA C 68 54.091 54.091 53.038 1.053 19149 2450 1 10 . 1 1 68 68 ASP CB C 68 41.396 41.396 42.930 -1.534 19149 2451 1 10 . 1 1 68 68 ASP H H 68 8.236 8.236 8.275 -0.039 19149 2452 1 10 . 1 1 69 69 LEU N N 69 123.225 123.225 125.489 -2.264 19149 2453 1 10 . 1 1 69 69 LEU HA H 69 4.608 4.608 4.565 0.043 19149 2454 1 10 . 1 1 69 69 LEU C C 69 175.233 175.233 175.345 -0.112 19149 2455 1 10 . 1 1 69 69 LEU CA C 69 53.190 53.190 52.978 0.212 19149 2456 1 10 . 1 1 69 69 LEU CB C 69 41.887 41.887 42.002 -0.115 19149 2457 1 10 . 1 1 69 69 LEU H H 69 8.130 8.130 8.451 -0.321 19149 2458 1 10 . 1 1 70 70 PRO HA H 70 4.421 4.421 4.457 -0.036 19149 2459 1 10 . 1 1 70 70 PRO CA C 70 63.224 63.224 63.251 -0.027 19149 2460 1 10 . 1 1 70 70 PRO CB C 70 32.189 32.189 32.209 -0.020 19149 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 41 3.264 0.573 3.253 19149 2 1 1 "Average Difference" HA 49 0.363 0.007 0.367 19149 3 1 1 "Average Difference" C 42 0.721 -0.108 0.721 19149 4 1 1 "Average Difference" CA 44 1.011 -0.348 0.960 19149 5 1 1 "Average Difference" CB 39 1.594 -0.527 1.524 19149 6 1 1 "Average Difference" HN 41 0.487 0.010 0.493 19149 7 1 2 "Average Difference" N 41 3.216 1.104 3.058 19149 8 1 2 "Average Difference" HA 49 0.347 -0.015 0.350 19149 9 1 2 "Average Difference" C 42 0.728 -0.115 0.728 19149 10 1 2 "Average Difference" CA 44 1.038 -0.262 1.016 19149 11 1 2 "Average Difference" CB 39 1.653 -0.630 1.549 19149 12 1 2 "Average Difference" HN 41 0.476 0.077 0.476 19149 13 1 3 "Average Difference" N 41 3.149 0.745 3.098 19149 14 1 3 "Average Difference" HA 49 0.339 -0.001 0.343 19149 15 1 3 "Average Difference" C 42 0.771 -0.138 0.768 19149 16 1 3 "Average Difference" CA 44 0.998 -0.236 0.981 19149 17 1 3 "Average Difference" CB 39 1.675 -0.554 1.602 19149 18 1 3 "Average Difference" HN 41 0.523 0.027 0.529 19149 19 1 4 "Average Difference" N 41 3.323 0.549 3.318 19149 20 1 4 "Average Difference" HA 49 0.348 0.011 0.351 19149 21 1 4 "Average Difference" C 42 0.753 -0.097 0.756 19149 22 1 4 "Average Difference" CA 44 0.973 -0.223 0.958 19149 23 1 4 "Average Difference" CB 39 1.687 -0.547 1.616 19149 24 1 4 "Average Difference" HN 41 0.498 -0.001 0.504 19149 25 1 5 "Average Difference" N 41 2.829 0.429 2.831 19149 26 1 5 "Average Difference" HA 49 0.378 0.034 0.380 19149 27 1 5 "Average Difference" C 42 0.741 -0.199 0.722 19149 28 1 5 "Average Difference" CA 44 1.106 -0.351 1.061 19149 29 1 5 "Average Difference" CB 39 1.655 -0.555 1.579 19149 30 1 5 "Average Difference" HN 41 0.489 0.050 0.493 19149 31 1 6 "Average Difference" N 41 3.284 0.776 3.230 19149 32 1 6 "Average Difference" HA 49 0.365 -0.019 0.368 19149 33 1 6 "Average Difference" C 42 0.765 -0.072 0.771 19149 34 1 6 "Average Difference" CA 44 0.968 -0.217 0.954 19149 35 1 6 "Average Difference" CB 39 1.659 -0.577 1.576 19149 36 1 6 "Average Difference" HN 41 0.506 -0.010 0.512 19149 37 1 7 "Average Difference" N 41 3.229 0.566 3.218 19149 38 1 7 "Average Difference" HA 49 0.388 0.022 0.392 19149 39 1 7 "Average Difference" C 42 0.640 -0.066 0.645 19149 40 1 7 "Average Difference" CA 44 1.061 -0.313 1.025 19149 41 1 7 "Average Difference" CB 39 1.674 -0.568 1.595 19149 42 1 7 "Average Difference" HN 41 0.526 -0.027 0.532 19149 43 1 8 "Average Difference" N 41 3.341 0.392 3.359 19149 44 1 8 "Average Difference" HA 49 0.353 0.006 0.356 19149 45 1 8 "Average Difference" C 42 0.676 -0.111 0.675 19149 46 1 8 "Average Difference" CA 44 1.027 -0.173 1.024 19149 47 1 8 "Average Difference" CB 39 1.804 -0.547 1.741 19149 48 1 8 "Average Difference" HN 41 0.420 0.030 0.424 19149 49 1 9 "Average Difference" N 41 3.345 0.586 3.334 19149 50 1 9 "Average Difference" HA 49 0.415 -0.014 0.419 19149 51 1 9 "Average Difference" C 42 0.764 -0.142 0.760 19149 52 1 9 "Average Difference" CA 44 1.065 -0.307 1.032 19149 53 1 9 "Average Difference" CB 39 1.751 -0.602 1.666 19149 54 1 9 "Average Difference" HN 41 0.556 -0.020 0.562 19149 55 1 10 "Average Difference" N 41 3.122 0.780 3.061 19149 56 1 10 "Average Difference" HA 49 0.392 0.020 0.395 19149 57 1 10 "Average Difference" C 42 0.761 -0.173 0.750 19149 58 1 10 "Average Difference" CA 44 1.097 -0.230 1.084 19149 59 1 10 "Average Difference" CB 39 1.540 -0.370 1.514 19149 60 1 10 "Average Difference" HN 41 0.472 -0.000 0.478 19149 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 19149 _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 27 27 ARG N N 27 120.668 120.668 120.671 -0.003 19149 2 1 . 1 1 27 27 ARG HA H 27 4.578 4.578 4.351 0.227 19149 3 1 . 1 1 27 27 ARG C C 27 176.132 176.132 175.192 0.940 19149 4 1 . 1 1 27 27 ARG CA C 27 55.893 55.893 56.430 -0.537 19149 5 1 . 1 1 27 27 ARG CB C 27 31.813 31.813 29.511 2.302 19149 6 1 . 1 1 27 27 ARG H H 27 8.320 8.320 8.679 -0.359 19149 7 1 . 1 1 28 28 GLN N N 28 119.898 119.898 119.045 0.853 19149 8 1 . 1 1 28 28 GLN HA H 28 4.608 4.608 4.610 -0.002 19149 9 1 . 1 1 28 28 GLN C C 28 174.372 174.372 174.528 -0.156 19149 10 1 . 1 1 28 28 GLN CA C 28 55.320 55.320 54.075 1.245 19149 11 1 . 1 1 28 28 GLN CB C 28 31.403 31.403 31.159 0.244 19149 12 1 . 1 1 28 28 GLN H H 28 8.756 8.756 7.990 0.766 19149 13 1 . 1 1 29 29 ILE N N 29 122.828 122.828 122.505 0.324 19149 14 1 . 1 1 29 29 ILE HA H 29 4.598 4.598 4.304 0.294 19149 15 1 . 1 1 29 29 ILE C C 29 175.158 175.158 175.754 -0.596 19149 16 1 . 1 1 29 29 ILE CA C 29 59.825 59.825 60.500 -0.675 19149 17 1 . 1 1 29 29 ILE CB C 29 38.857 38.857 37.948 0.909 19149 18 1 . 1 1 29 29 ILE H H 29 8.433 8.433 8.569 -0.135 19149 19 1 . 1 1 30 30 ALA N N 30 131.643 131.643 131.491 0.152 19149 20 1 . 1 1 30 30 ALA HA H 30 4.578 4.578 4.515 0.063 19149 21 1 . 1 1 30 30 ALA C C 30 174.728 174.728 175.546 -0.818 19149 22 1 . 1 1 30 30 ALA CA C 30 50.487 50.487 50.812 -0.324 19149 23 1 . 1 1 30 30 ALA CB C 30 23.049 23.049 21.018 2.031 19149 24 1 . 1 1 30 30 ALA H H 30 8.801 8.801 8.628 0.173 19149 25 1 . 1 1 31 31 ARG N N 31 120.391 120.391 121.818 -1.427 19149 26 1 . 1 1 31 31 ARG HA H 31 5.450 5.450 5.394 0.056 19149 27 1 . 1 1 31 31 ARG C C 31 176.076 176.076 175.276 0.800 19149 28 1 . 1 1 31 31 ARG CA C 31 54.400 54.400 54.729 -0.329 19149 29 1 . 1 1 31 31 ARG CB C 31 33.400 33.400 32.327 1.073 19149 30 1 . 1 1 31 31 ARG H H 31 8.285 8.285 8.214 0.071 19149 31 1 . 1 1 32 32 TYR N N 32 119.947 119.947 125.354 -5.407 19149 32 1 . 1 1 32 32 TYR HA H 32 5.011 5.011 4.921 0.090 19149 33 1 . 1 1 32 32 TYR C C 32 174.803 174.803 174.578 0.225 19149 34 1 . 1 1 32 32 TYR CA C 32 57.286 57.286 57.461 -0.175 19149 35 1 . 1 1 32 32 TYR CB C 32 44.099 44.099 40.094 4.005 19149 36 1 . 1 1 32 32 TYR H H 32 8.895 8.895 9.147 -0.252 19149 37 1 . 1 1 33 33 ARG N N 33 121.071 121.071 126.656 -5.585 19149 38 1 . 1 1 33 33 ARG HA H 33 5.818 5.818 5.422 0.397 19149 39 1 . 1 1 33 33 ARG C C 33 177.873 177.873 176.977 0.896 19149 40 1 . 1 1 33 33 ARG CA C 33 54.091 54.091 54.801 -0.710 19149 41 1 . 1 1 33 33 ARG CB C 33 34.188 34.188 32.711 1.477 19149 42 1 . 1 1 33 33 ARG H H 33 8.918 8.918 9.315 -0.397 19149 43 1 . 1 1 34 34 THR N N 34 119.578 119.578 119.656 -0.078 19149 44 1 . 1 1 34 34 THR HA H 34 5.060 5.060 4.652 0.408 19149 45 1 . 1 1 34 34 THR C C 34 177.274 177.274 175.731 1.543 19149 46 1 . 1 1 34 34 THR CA C 34 61.545 61.545 60.649 0.896 19149 47 1 . 1 1 34 34 THR CB C 34 70.718 70.718 70.328 0.390 19149 48 1 . 1 1 34 34 THR H H 34 9.583 9.583 9.003 0.580 19149 49 1 . 1 1 35 35 ASP N N 35 120.797 120.797 121.061 -0.264 19149 50 1 . 1 1 35 35 ASP HA H 35 4.509 4.509 4.436 0.073 19149 51 1 . 1 1 35 35 ASP C C 35 176.188 176.188 176.868 -0.680 19149 52 1 . 1 1 35 35 ASP CA C 35 57.777 57.777 56.763 1.014 19149 53 1 . 1 1 35 35 ASP CB C 35 40.741 40.741 40.752 -0.011 19149 54 1 . 1 1 35 35 ASP H H 35 9.601 9.601 8.739 0.862 19149 55 1 . 1 1 36 36 ASN N N 36 114.714 114.714 116.267 -1.553 19149 56 1 . 1 1 36 36 ASN HA H 36 4.736 4.736 4.684 0.052 19149 57 1 . 1 1 36 36 ASN C C 36 176.188 176.188 176.089 0.099 19149 58 1 . 1 1 36 36 ASN CA C 36 52.617 52.617 53.409 -0.792 19149 59 1 . 1 1 36 36 ASN CB C 36 37.792 37.792 38.758 -0.965 19149 60 1 . 1 1 36 36 ASN H H 36 7.824 7.824 8.214 -0.390 19149 61 1 . 1 1 37 37 GLY N N 37 108.692 108.692 107.353 1.339 19149 62 1 . 1 1 37 37 GLY C C 37 174.428 174.428 174.254 0.174 19149 63 1 . 1 1 37 37 GLY CA C 37 45.082 45.082 45.057 0.025 19149 64 1 . 1 1 37 37 GLY H H 37 8.520 8.520 8.123 0.397 19149 65 1 . 1 1 38 38 GLU N N 38 120.618 120.618 121.706 -1.088 19149 66 1 . 1 1 38 38 GLU HA H 38 4.135 4.135 4.273 -0.138 19149 67 1 . 1 1 38 38 GLU C C 38 174.204 174.204 175.907 -1.703 19149 68 1 . 1 1 38 38 GLU CA C 38 58.023 58.023 56.068 1.955 19149 69 1 . 1 1 38 38 GLU CB C 38 31.239 31.239 30.143 1.096 19149 70 1 . 1 1 38 38 GLU H H 38 7.159 7.159 7.964 -0.805 19149 71 1 . 1 1 39 39 GLU N N 39 118.314 118.314 123.116 -4.802 19149 72 1 . 1 1 39 39 GLU HA H 39 5.592 5.592 4.814 0.778 19149 73 1 . 1 1 39 39 GLU C C 39 176.020 176.020 175.731 0.289 19149 74 1 . 1 1 39 39 GLU CA C 39 54.337 54.337 55.521 -1.184 19149 75 1 . 1 1 39 39 GLU CB C 39 33.451 33.451 30.979 2.472 19149 76 1 . 1 1 39 39 GLU H H 39 7.904 7.904 8.594 -0.690 19149 77 1 . 1 1 40 40 PHE N N 40 119.679 119.679 123.815 -4.136 19149 78 1 . 1 1 40 40 PHE HA H 40 4.736 4.736 4.805 -0.069 19149 79 1 . 1 1 40 40 PHE C C 40 174.410 174.410 174.685 -0.275 19149 80 1 . 1 1 40 40 PHE CA C 40 57.695 57.695 56.914 0.780 19149 81 1 . 1 1 40 40 PHE CB C 40 43.280 43.280 41.785 1.495 19149 82 1 . 1 1 40 40 PHE H H 40 9.181 9.181 9.253 -0.072 19149 83 1 . 1 1 41 41 GLU N N 41 121.828 121.828 124.152 -2.324 19149 84 1 . 1 1 41 41 GLU HA H 41 5.080 5.080 5.391 -0.311 19149 85 1 . 1 1 41 41 GLU C C 41 176.525 176.525 175.838 0.687 19149 86 1 . 1 1 41 41 GLU CA C 41 55.565 55.565 54.747 0.818 19149 87 1 . 1 1 41 41 GLU CB C 41 31.403 31.403 31.332 0.071 19149 88 1 . 1 1 41 41 GLU H H 41 8.741 8.741 8.776 -0.035 19149 89 1 . 1 1 42 42 VAL N N 42 127.341 127.341 116.963 10.378 19149 90 1 . 1 1 42 42 VAL HA H 42 4.495 4.495 4.487 0.008 19149 91 1 . 1 1 42 42 VAL C C 42 172.949 172.949 173.222 -0.273 19149 92 1 . 1 1 42 42 VAL CA C 42 59.415 59.415 58.509 0.907 19149 93 1 . 1 1 42 42 VAL CB C 42 35.990 35.990 33.081 2.909 19149 94 1 . 1 1 42 42 VAL H H 42 9.393 9.393 8.691 0.702 19149 95 1 . 1 1 43 43 PRO HA H 43 5.179 5.179 4.598 0.581 19149 96 1 . 1 1 43 43 PRO CA C 43 61.545 61.545 62.726 -1.181 19149 97 1 . 1 1 43 43 PRO CB C 43 26.637 26.637 31.080 -4.443 19149 98 1 . 1 1 44 44 PHE N N 44 119.921 119.921 125.276 -5.355 19149 99 1 . 1 1 44 44 PHE HA H 44 4.568 4.568 4.553 0.015 19149 100 1 . 1 1 44 44 PHE C C 44 175.046 175.046 175.769 -0.723 19149 101 1 . 1 1 44 44 PHE CA C 44 57.531 57.531 57.123 0.408 19149 102 1 . 1 1 44 44 PHE CB C 44 44.017 44.017 40.768 3.249 19149 103 1 . 1 1 44 44 PHE H H 44 8.901 8.901 8.152 0.749 19149 104 1 . 1 1 45 45 ALA N N 45 123.051 123.051 122.952 0.099 19149 105 1 . 1 1 45 45 ALA HA H 45 4.460 4.460 4.448 0.012 19149 106 1 . 1 1 45 45 ALA C C 45 178.378 178.378 178.249 0.130 19149 107 1 . 1 1 45 45 ALA CA C 45 52.207 52.207 51.669 0.538 19149 108 1 . 1 1 45 45 ALA CB C 45 19.609 19.609 19.876 -0.267 19149 109 1 . 1 1 45 45 ALA H H 45 8.711 8.711 8.449 0.262 19149 110 1 . 1 1 46 46 ASP N N 46 119.600 119.600 118.441 1.159 19149 111 1 . 1 1 46 46 ASP HA H 46 4.312 4.312 4.508 -0.196 19149 112 1 . 1 1 46 46 ASP C C 46 175.945 175.945 176.210 -0.265 19149 113 1 . 1 1 46 46 ASP CA C 46 56.712 56.712 55.663 1.049 19149 114 1 . 1 1 46 46 ASP CB C 46 40.904 40.904 40.879 0.025 19149 115 1 . 1 1 46 46 ASP H H 46 8.592 8.592 8.687 -0.095 19149 116 1 . 1 1 47 47 ASP N N 47 115.496 115.496 117.324 -1.828 19149 117 1 . 1 1 47 47 ASP HA H 47 4.558 4.558 4.545 0.013 19149 118 1 . 1 1 47 47 ASP C C 47 175.776 175.776 175.457 0.319 19149 119 1 . 1 1 47 47 ASP CA C 47 53.272 53.272 54.073 -0.801 19149 120 1 . 1 1 47 47 ASP CB C 47 40.167 40.167 40.578 -0.411 19149 121 1 . 1 1 47 47 ASP H H 47 8.256 8.256 8.171 0.085 19149 122 1 . 1 1 48 48 ALA N N 48 122.516 122.516 123.101 -0.585 19149 123 1 . 1 1 48 48 ALA HA H 48 4.368 4.368 4.453 -0.085 19149 124 1 . 1 1 48 48 ALA C C 48 177.405 177.405 176.358 1.047 19149 125 1 . 1 1 48 48 ALA CA C 48 52.207 52.207 51.432 0.775 19149 126 1 . 1 1 48 48 ALA CB C 48 20.510 20.510 20.402 0.107 19149 127 1 . 1 1 48 48 ALA H H 48 7.394 7.394 7.401 -0.007 19149 128 1 . 1 1 49 49 GLU N N 49 120.796 120.796 120.964 -0.168 19149 129 1 . 1 1 49 49 GLU HA H 49 4.211 4.211 4.344 -0.133 19149 130 1 . 1 1 49 49 GLU C C 49 175.533 175.533 175.226 0.307 19149 131 1 . 1 1 49 49 GLU CA C 49 55.647 55.647 55.604 0.043 19149 132 1 . 1 1 49 49 GLU CB C 49 30.093 30.093 30.424 -0.331 19149 133 1 . 1 1 49 49 GLU H H 49 8.227 8.227 8.346 -0.119 19149 134 1 . 1 1 50 50 ILE N N 50 127.078 127.078 123.904 3.174 19149 135 1 . 1 1 50 50 ILE HA H 50 3.474 3.474 4.259 -0.785 19149 136 1 . 1 1 50 50 ILE C C 50 174.859 174.859 174.324 0.535 19149 137 1 . 1 1 50 50 ILE CA C 50 58.105 58.105 57.241 0.864 19149 138 1 . 1 1 50 50 ILE CB C 50 37.464 37.464 37.391 0.073 19149 139 1 . 1 1 50 50 ILE H H 50 8.179 8.179 8.382 -0.203 19149 140 1 . 1 1 51 51 PRO HA H 51 4.716 4.716 4.829 -0.113 19149 141 1 . 1 1 51 51 PRO C C 51 177.948 177.948 177.141 0.807 19149 142 1 . 1 1 51 51 PRO CA C 51 62.364 62.364 62.027 0.337 19149 143 1 . 1 1 51 51 PRO CB C 51 32.796 32.796 33.221 -0.425 19149 144 1 . 1 1 52 52 GLY N N 52 107.298 107.298 106.151 1.147 19149 145 1 . 1 1 52 52 GLY C C 52 174.410 174.410 173.491 0.919 19149 146 1 . 1 1 52 52 GLY CA C 52 46.802 46.802 45.178 1.624 19149 147 1 . 1 1 52 52 GLY H H 52 8.899 8.899 8.851 0.048 19149 148 1 . 1 1 53 53 THR N N 53 110.516 110.516 110.311 0.205 19149 149 1 . 1 1 53 53 THR HA H 53 5.645 5.645 5.782 -0.137 19149 150 1 . 1 1 53 53 THR C C 53 172.781 172.781 173.256 -0.475 19149 151 1 . 1 1 53 53 THR CA C 53 59.579 59.579 59.771 -0.192 19149 152 1 . 1 1 53 53 THR CB C 53 72.930 72.930 71.604 1.326 19149 153 1 . 1 1 53 53 THR H H 53 7.661 7.661 7.642 0.019 19149 154 1 . 1 1 54 54 TRP N N 54 120.834 120.834 126.673 -5.839 19149 155 1 . 1 1 54 54 TRP HA H 54 4.460 4.460 4.642 -0.182 19149 156 1 . 1 1 54 54 TRP C C 54 174.222 174.222 173.347 0.875 19149 157 1 . 1 1 54 54 TRP CA C 54 56.057 56.057 56.696 -0.639 19149 158 1 . 1 1 54 54 TRP CB C 54 31.403 31.403 32.071 -0.669 19149 159 1 . 1 1 54 54 TRP H H 54 8.161 8.161 8.594 -0.433 19149 160 1 . 1 1 55 55 LEU N N 55 130.424 130.424 127.769 2.655 19149 161 1 . 1 1 55 55 LEU HA H 55 4.204 4.204 4.112 0.092 19149 162 1 . 1 1 55 55 LEU C C 55 175.177 175.177 175.572 -0.395 19149 163 1 . 1 1 55 55 LEU CA C 55 54.828 54.828 55.669 -0.841 19149 164 1 . 1 1 55 55 LEU CB C 55 39.921 39.921 41.534 -1.613 19149 165 1 . 1 1 55 55 LEU H H 55 7.360 7.360 7.923 -0.562 19149 166 1 . 1 1 56 56 CYS N N 56 125.442 125.442 126.028 -0.585 19149 167 1 . 1 1 56 56 CYS HA H 56 4.320 4.320 4.636 -0.316 19149 168 1 . 1 1 56 56 CYS C C 56 176.862 176.862 175.863 0.999 19149 169 1 . 1 1 56 56 CYS CA C 56 60.070 60.070 56.502 3.568 19149 170 1 . 1 1 56 56 CYS CB C 56 29.274 29.274 29.813 -0.539 19149 171 1 . 1 1 56 56 CYS H H 56 8.110 8.110 8.369 -0.259 19149 172 1 . 1 1 57 57 ARG N N 57 120.000 120.000 122.769 -2.769 19149 173 1 . 1 1 57 57 ARG HA H 57 4.007 4.007 4.074 -0.068 19149 174 1 . 1 1 57 57 ARG C C 57 175.608 175.608 176.373 -0.765 19149 175 1 . 1 1 57 57 ARG CA C 57 58.350 58.350 58.610 -0.261 19149 176 1 . 1 1 57 57 ARG CB C 57 29.847 29.847 29.685 0.162 19149 177 1 . 1 1 57 57 ARG H H 57 8.120 8.120 8.753 -0.633 19149 178 1 . 1 1 58 58 ASN N N 58 114.879 114.879 115.913 -1.034 19149 179 1 . 1 1 58 58 ASN HA H 58 4.627 4.627 4.716 -0.089 19149 180 1 . 1 1 58 58 ASN C C 58 175.982 175.982 175.966 0.017 19149 181 1 . 1 1 58 58 ASN CA C 58 52.453 52.453 52.884 -0.431 19149 182 1 . 1 1 58 58 ASN CB C 58 37.546 37.546 37.962 -0.416 19149 183 1 . 1 1 58 58 ASN H H 58 6.907 6.907 7.647 -0.740 19149 184 1 . 1 1 59 59 GLY N N 59 107.258 107.258 108.100 -0.842 19149 185 1 . 1 1 59 59 GLY C C 59 173.324 173.324 173.260 0.064 19149 186 1 . 1 1 59 59 GLY CA C 59 45.245 45.245 44.966 0.279 19149 187 1 . 1 1 59 59 GLY H H 59 8.222 8.222 8.061 0.161 19149 188 1 . 1 1 60 60 MET N N 60 118.147 118.147 120.002 -1.855 19149 189 1 . 1 1 60 60 MET HA H 60 4.539 4.539 4.694 -0.155 19149 190 1 . 1 1 60 60 MET C C 60 174.353 174.353 174.505 -0.152 19149 191 1 . 1 1 60 60 MET CA C 60 54.091 54.091 53.742 0.349 19149 192 1 . 1 1 60 60 MET CB C 60 35.007 35.007 35.163 -0.156 19149 193 1 . 1 1 60 60 MET H H 60 7.386 7.386 7.806 -0.420 19149 194 1 . 1 1 61 61 GLU N N 61 121.830 121.830 125.317 -3.487 19149 195 1 . 1 1 61 61 GLU HA H 61 4.519 4.519 4.330 0.189 19149 196 1 . 1 1 61 61 GLU C C 61 176.637 176.637 176.619 0.018 19149 197 1 . 1 1 61 61 GLU CA C 61 56.876 56.876 56.283 0.593 19149 198 1 . 1 1 61 61 GLU CB C 61 30.584 30.584 29.438 1.146 19149 199 1 . 1 1 61 61 GLU H H 61 8.742 8.742 8.741 0.001 19149 200 1 . 1 1 62 62 GLY N N 62 116.891 116.891 113.166 3.725 19149 201 1 . 1 1 62 62 GLY C C 62 172.145 172.145 173.574 -1.429 19149 202 1 . 1 1 62 62 GLY CA C 62 44.344 44.344 44.774 -0.430 19149 203 1 . 1 1 62 62 GLY H H 62 9.783 9.783 8.537 1.246 19149 204 1 . 1 1 63 63 THR N N 63 116.976 116.976 119.859 -2.883 19149 205 1 . 1 1 63 63 THR HA H 63 5.060 5.060 5.353 -0.293 19149 206 1 . 1 1 63 63 THR C C 63 174.709 174.709 174.636 0.073 19149 207 1 . 1 1 63 63 THR CA C 63 62.036 62.036 61.569 0.467 19149 208 1 . 1 1 63 63 THR CB C 63 71.128 71.128 70.582 0.546 19149 209 1 . 1 1 63 63 THR H H 63 8.811 8.811 8.619 0.192 19149 210 1 . 1 1 64 64 LEU N N 64 129.784 129.784 130.134 -0.350 19149 211 1 . 1 1 64 64 LEU HA H 64 3.749 3.749 4.863 -1.114 19149 212 1 . 1 1 64 64 LEU C C 64 176.581 176.581 176.379 0.202 19149 213 1 . 1 1 64 64 LEU CA C 64 56.303 56.303 54.632 1.671 19149 214 1 . 1 1 64 64 LEU CB C 64 43.198 43.198 42.648 0.550 19149 215 1 . 1 1 64 64 LEU H H 64 8.178 8.178 8.882 -0.704 19149 216 1 . 1 1 65 65 ILE N N 65 127.682 127.682 127.603 0.079 19149 217 1 . 1 1 65 65 ILE HA H 65 4.102 4.102 3.938 0.164 19149 218 1 . 1 1 65 65 ILE C C 65 175.720 175.720 175.363 0.357 19149 219 1 . 1 1 65 65 ILE CA C 65 61.381 61.381 62.254 -0.873 19149 220 1 . 1 1 65 65 ILE CB C 65 38.611 38.611 36.801 1.810 19149 221 1 . 1 1 65 65 ILE H H 65 8.713 8.713 8.039 0.674 19149 222 1 . 1 1 66 66 GLU N N 66 126.115 126.115 123.061 3.054 19149 223 1 . 1 1 66 66 GLU HA H 66 4.312 4.312 4.032 0.280 19149 224 1 . 1 1 66 66 GLU C C 66 176.562 176.562 175.389 1.173 19149 225 1 . 1 1 66 66 GLU CA C 66 56.630 56.630 56.960 -0.330 19149 226 1 . 1 1 66 66 GLU CB C 66 31.076 31.076 27.895 3.182 19149 227 1 . 1 1 66 66 GLU H H 66 8.392 8.392 8.652 -0.260 19149 228 1 . 1 1 67 67 GLY N N 67 109.600 109.600 108.877 0.723 19149 229 1 . 1 1 67 67 GLY C C 67 173.474 173.474 173.238 0.236 19149 230 1 . 1 1 67 67 GLY CA C 67 45.245 45.245 44.454 0.791 19149 231 1 . 1 1 67 67 GLY H H 67 8.330 8.330 8.153 0.177 19149 232 1 . 1 1 68 68 ASP N N 68 120.192 120.192 120.455 -0.263 19149 233 1 . 1 1 68 68 ASP HA H 68 4.627 4.627 4.705 -0.078 19149 234 1 . 1 1 68 68 ASP C C 68 175.926 175.926 175.913 0.013 19149 235 1 . 1 1 68 68 ASP CA C 68 54.091 54.091 53.920 0.171 19149 236 1 . 1 1 68 68 ASP CB C 68 41.396 41.396 42.064 -0.668 19149 237 1 . 1 1 68 68 ASP H H 68 8.236 8.236 8.240 -0.004 19149 238 1 . 1 1 69 69 LEU N N 69 123.225 123.225 124.432 -1.207 19149 239 1 . 1 1 69 69 LEU HA H 69 4.608 4.608 4.764 -0.156 19149 240 1 . 1 1 69 69 LEU C C 69 175.233 175.233 175.140 0.093 19149 241 1 . 1 1 69 69 LEU CA C 69 53.190 53.190 52.208 0.982 19149 242 1 . 1 1 69 69 LEU CB C 69 41.887 41.887 42.233 -0.346 19149 243 1 . 1 1 69 69 LEU H H 69 8.130 8.130 8.285 -0.155 19149 244 1 . 1 1 70 70 PRO HA H 70 4.421 4.421 4.507 -0.086 19149 245 1 . 1 1 70 70 PRO CA C 70 63.224 63.224 62.968 0.256 19149 246 1 . 1 1 70 70 PRO CB C 70 32.189 32.189 32.216 -0.027 19149 stop_ save_